============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. PHE 1 1.000 88.767 51.852 15.945 -99.200 -91.000 TYR 2 0.840 83.463 48.790 14.969 -99.200 -91.000 TYR 10 0.840 75.447 39.949 11.663 -99.200 -91.000 PHE 42 1.000 71.613 38.264 22.399 -99.200 -91.000 PHE 44 1.000 77.400 37.130 19.276 -99.200 -91.000 TYR 54 0.840 74.374 39.857 34.141 -99.200 -91.000 TRP 64 1.040 67.169 21.314 14.960 -99.200 -91.000 TRP6 64 1.020 67.467 22.058 12.763 -99.200 -91.000 PHE 68 1.000 72.298 28.357 20.575 -99.200 -91.000 TYR 72 0.840 76.460 26.806 22.037 -99.200 -91.000 HIS 78 0.900 60.686 27.874 31.565 -99.200 -91.000 TYR 80 0.840 53.952 28.263 21.812 -99.200 -91.000 PHE 84 1.000 55.833 21.245 21.743 -99.200 -91.000 HIS 97 0.900 64.635 22.702 33.600 -99.200 -91.000 HIS 98 0.900 57.845 26.060 33.614 -99.200 -91.000 PHE 101 1.000 51.714 19.980 25.583 -99.200 -91.000 PHE 107 1.000 46.824 18.697 28.658 -99.200 -91.000 HIS 108 0.900 42.943 16.715 25.940 -99.200 -91.000 PHE 110 1.000 52.932 15.313 20.986 -99.200 -91.000 PHE 127 1.000 43.617 44.808 24.459 -99.200 -91.000 TYR 131 0.840 39.795 35.647 10.356 -99.200 -91.000 PHE 141 1.000 42.231 27.658 28.886 -99.200 -91.000 HIS 153 0.900 53.577 31.449 26.583 -99.200 -91.000 PHE 154 1.000 50.068 37.457 28.986 -99.200 -91.000 HIS 155 0.900 55.341 37.055 22.435 -99.200 -91.000 PHE 172 1.000 46.221 35.429 31.554 -99.200 -91.000 PHE 176 1.000 42.285 33.093 28.426 -99.200 -91.000 TRP 179 1.040 39.326 27.963 33.913 -99.200 -91.000 TRP6 179 1.020 38.532 29.252 32.128 -99.200 -91.000 TRP 185 1.040 54.424 27.046 35.561 -99.200 -91.000 TRP6 185 1.020 54.150 27.356 33.246 -99.200 -91.000 PHE 188 1.000 52.682 38.326 33.677 -99.200 -91.000 HIS 192 0.900 56.687 41.747 28.391 -99.200 -91.000 HIS 193 0.900 61.792 48.243 22.639 -99.200 -91.000 TYR 199 0.840 59.299 48.497 29.902 -99.200 -91.000 PHE 211 1.000 48.757 37.436 36.919 -99.200 -91.000 TYR 215 0.840 44.980 35.900 39.532 -99.200 -91.000 TYR 220 0.840 58.770 30.804 35.237 -99.200 -91.000 TRP 229 1.040 67.079 48.699 22.680 -99.200 -91.000 TRP6 229 1.020 65.920 48.997 20.687 -99.200 -91.000 HIS 258 0.900 75.442 39.589 4.821 -99.200 -91.000 TYR 267 0.840 64.921 47.940 10.781 -99.200 -91.000 PHE 293 1.000 81.037 66.140 1.656 -99.200 -91.000 TYR 295 0.840 79.087 59.284 -0.305 -99.200 -91.000 TYR 311 0.840 71.786 55.203 5.655 -99.200 -91.000 PHE 313 1.000 77.900 58.223 5.543 -99.200 -91.000 PHE 325 1.000 74.714 49.301 7.164 -99.200 -91.000 HIS 330 0.900 67.114 43.890 18.066 -99.200 -91.000 TYR 331 0.840 63.463 39.256 16.876 -99.200 -91.000 PHE 339 1.000 69.240 35.608 -3.071 -99.200 -91.000 HIS 352 0.900 85.758 41.338 30.963 -99.200 -91.000 PHE 362 1.000 79.294 32.253 10.425 -99.200 -91.000 TYR 364 0.840 82.386 25.967 -1.219 -99.200 -91.000 TYR 367 0.840 76.452 28.932 -1.941 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3n29A1 PHE 2 HA -0.45 -0.06 0.17 -0.75 4.62 3.53 3n29A1 PHE 2 HB2 -0.12 0.04 0.04 -0.04 3.15 3.07 3n29A1 PHE 2 HB3 -0.06 0.02 -0.06 -0.04 3.06 2.93 3n29A1 PHE 2 HD2 -0.11 0.04 -0.09 -0.04 7.28 7.08 3n29A1 PHE 2 HE2 -0.05 0.04 0.02 -0.04 7.38 7.36 3n29A1 PHE 2 HZ -0.02 0.07 0.01 -0.04 7.32 7.34 3n29A1 TYR 3 H -2.08 0.06 0.07 -0.55 8.29 5.79 3n29A1 TYR 3 HA -0.20 0.19 0.11 -0.75 4.56 3.91 3n29A1 TYR 3 HB2 -0.65 0.01 0.01 -0.04 3.06 2.39 3n29A1 TYR 3 HB3 -0.26 0.04 -0.07 -0.04 2.98 2.65 3n29A1 TYR 3 HD2 -0.20 0.06 -0.25 -0.04 7.15 6.71 3n29A1 TYR 3 HE2 -0.08 -0.01 -0.10 -0.04 6.85 6.62 3n29A1 GLU 4 H 0.01 0.07 0.03 -0.55 8.60 8.16 3n29A1 GLU 4 HA 0.02 0.07 0.09 -0.75 4.29 3.71 3n29A1 GLU 4 HB2 0.22 -0.02 0.08 -0.04 2.09 2.33 3n29A1 GLU 4 HB3 0.28 -0.03 0.08 -0.04 1.99 2.28 3n29A1 GLU 4 HG2 0.09 -0.01 -0.07 -0.04 2.34 2.31 3n29A1 GLU 4 HG3 0.07 0.05 -0.46 -0.04 2.34 1.96 3n29A1 LYS 5 H 0.08 0.07 -0.12 -0.55 8.42 7.90 3n29A1 LYS 5 HA 0.03 0.18 0.59 -0.75 4.32 4.37 3n29A1 LYS 5 HB2 0.05 -0.05 0.06 -0.04 1.87 1.89 3n29A1 LYS 5 HB3 0.03 0.00 0.00 -0.04 1.79 1.79 3n29A1 LYS 5 HG2 0.02 0.05 0.04 -0.04 1.46 1.53 3n29A1 LYS 5 HG3 0.03 -0.03 -0.01 -0.04 1.46 1.41 3n29A1 LYS 5 HD2 0.02 -0.01 0.00 -0.04 1.69 1.66 3n29A1 LYS 5 HD3 0.01 0.01 0.03 -0.04 1.68 1.69 3n29A1 LYS 5 HE2 0.01 0.01 0.00 -0.04 2.99 2.97 3n29A1 LYS 5 HE3 0.01 -0.01 -0.00 -0.04 2.99 2.95 3n29A1 ILE 6 H 0.01 0.29 -0.33 -0.55 8.25 7.68 3n29A1 ILE 6 HA 0.00 -0.01 0.18 -0.75 4.18 3.60 3n29A1 ILE 6 HB -0.02 0.07 -0.00 -0.04 1.89 1.90 3n29A1 ILE 6 HG12 -0.03 0.43 0.05 -0.04 1.49 1.90 3n29A1 ILE 6 HG13 -0.06 -0.04 -0.30 -0.04 1.21 0.77 3n29A1 ILE 6 HG23 0.03 -0.03 -0.07 -0.04 0.93 0.82 3n29A1 ILE 6 HD13 -0.13 -0.02 -0.15 -0.04 0.88 0.54 3n29A1 GLN 7 H -0.01 0.05 0.14 -0.55 8.47 8.10 3n29A1 GLN 7 HA -0.02 0.07 0.65 -0.75 4.36 4.31 3n29A1 GLN 7 HB2 -0.01 -0.04 0.16 -0.04 2.15 2.22 3n29A1 GLN 7 HB3 -0.01 -0.02 -0.00 -0.04 2.02 1.95 3n29A1 GLN 7 HG2 -0.01 0.00 0.08 -0.04 2.40 2.44 3n29A1 GLN 7 HG3 -0.00 -0.05 0.03 -0.04 2.39 2.32 3n29A1 GLN 7 HE21 -0.00 0.02 0.07 -0.04 6.97 7.01 3n29A1 GLN 7 HE22 -0.01 -0.07 0.07 -0.04 7.69 7.64 3n29A1 THR 8 H -0.03 0.16 0.12 -0.55 8.28 7.98 3n29A1 THR 8 HA -0.07 0.13 0.67 -0.75 4.39 4.36 3n29A1 THR 8 HB -0.07 -0.12 0.06 -0.04 4.32 4.16 3n29A1 THR 8 HG23 -0.09 0.04 -0.37 -0.04 1.22 0.76 3n29A1 PRO 9 HA -0.10 0.19 0.55 -0.51 4.44 4.57 3n29A1 PRO 9 HB2 -0.21 -0.05 0.02 -0.04 2.28 2.00 3n29A1 PRO 9 HB3 -0.06 -0.11 0.04 -0.04 2.02 1.85 3n29A1 PRO 9 HG2 -0.17 -0.05 -0.07 -0.04 2.03 1.69 3n29A1 PRO 9 HG3 -0.03 0.18 0.16 -0.04 2.03 2.30 3n29A1 PRO 9 HD2 -0.03 0.11 0.32 -0.04 3.68 4.04 3n29A1 PRO 9 HD3 -0.01 0.16 0.20 -0.04 3.65 3.95 3n29A1 ALA 10 H -0.18 0.44 0.35 -0.55 8.40 8.47 3n29A1 ALA 10 HA -0.06 0.15 0.83 -0.75 4.34 4.50 3n29A1 ALA 10 HB3 -0.05 0.04 -0.09 -0.04 1.41 1.27 3n29A1 TYR 11 H 0.16 0.68 0.28 -0.55 8.29 8.87 3n29A1 TYR 11 HA 0.02 0.17 1.03 -0.75 4.56 5.03 3n29A1 TYR 11 HB2 0.16 -0.06 0.22 -0.04 3.06 3.34 3n29A1 TYR 11 HB3 0.12 -0.05 -0.03 -0.04 2.98 2.98 3n29A1 TYR 11 HD2 0.05 0.10 -0.06 -0.04 7.15 7.20 3n29A1 TYR 11 HE2 -0.03 0.09 0.04 -0.04 6.85 6.91 3n29A1 ILE 12 H 0.09 0.58 0.26 -0.55 8.25 8.63 3n29A1 ILE 12 HA 0.12 0.27 0.98 -0.75 4.18 4.80 3n29A1 ILE 12 HB 0.06 -0.07 0.12 -0.04 1.89 1.95 3n29A1 ILE 12 HG12 0.03 0.04 -0.34 -0.04 1.49 1.18 3n29A1 ILE 12 HG13 -0.07 0.04 -0.42 -0.04 1.21 0.72 3n29A1 ILE 12 HG23 0.13 -0.00 -0.22 -0.04 0.93 0.80 3n29A1 ILE 12 HD13 -0.15 0.01 -0.15 -0.04 0.88 0.55 3n29A1 LEU 13 H -0.03 0.63 0.33 -0.55 8.37 8.76 3n29A1 LEU 13 HA -0.08 0.13 0.87 -0.75 4.35 4.51 3n29A1 LEU 13 HB2 -0.72 -0.05 0.04 -0.04 1.64 0.87 3n29A1 LEU 13 HB3 -0.62 0.05 0.17 -0.04 1.64 1.20 3n29A1 LEU 13 HG -0.14 0.01 -0.42 -0.04 1.64 1.05 3n29A1 LEU 13 HD13 -0.03 0.02 -0.06 -0.04 0.93 0.82 3n29A1 LEU 13 HD23 -0.52 -0.01 -0.12 -0.04 0.89 0.20 3n29A1 GLU 14 H -0.02 0.70 0.36 -0.55 8.60 9.09 3n29A1 GLU 14 HA 0.02 0.21 0.92 -0.75 4.29 4.69 3n29A1 GLU 14 HB2 0.01 0.05 0.25 -0.04 2.09 2.36 3n29A1 GLU 14 HB3 0.02 -0.05 0.11 -0.04 1.99 2.03 3n29A1 GLU 14 HG2 0.05 0.05 -0.05 -0.04 2.34 2.35 3n29A1 GLU 14 HG3 0.05 0.02 -0.14 -0.04 2.34 2.23 3n29A1 GLU 15 H 0.04 0.79 0.29 -0.55 8.60 9.17 3n29A1 GLU 15 HA 0.04 0.03 0.44 -0.75 4.29 4.05 3n29A1 GLU 15 HB2 0.09 0.04 0.07 -0.04 2.09 2.25 3n29A1 GLU 15 HB3 0.10 -0.01 0.09 -0.04 1.99 2.13 3n29A1 GLU 15 HG2 0.11 0.03 -0.23 -0.04 2.34 2.21 3n29A1 GLU 15 HG3 0.10 0.01 0.04 -0.04 2.34 2.45 3n29A1 ASP 16 H 0.05 0.19 -0.12 -0.55 8.40 7.97 3n29A1 ASP 16 HA 0.04 0.09 0.37 -0.75 4.63 4.38 3n29A1 ASP 16 HB2 0.03 -0.01 0.04 -0.04 2.71 2.73 3n29A1 ASP 16 HB3 0.03 0.05 -0.01 -0.04 2.70 2.72 3n29A1 LYS 17 H 0.01 0.13 -0.25 -0.55 8.42 7.76 3n29A1 LYS 17 HA -0.01 0.08 0.59 -0.75 4.32 4.22 3n29A1 LYS 17 HB2 -0.01 0.07 0.25 -0.04 1.87 2.14 3n29A1 LYS 17 HB3 -0.02 0.16 0.14 -0.04 1.79 2.03 3n29A1 LYS 17 HG2 0.00 -0.14 0.04 -0.04 1.46 1.32 3n29A1 LYS 17 HG3 -0.00 -0.00 0.07 -0.04 1.46 1.49 3n29A1 LYS 17 HD2 -0.01 0.16 0.11 -0.04 1.69 1.90 3n29A1 LYS 17 HD3 -0.00 -0.02 0.03 -0.04 1.68 1.65 3n29A1 LYS 17 HE2 -0.00 0.00 0.01 -0.04 2.99 2.96 3n29A1 LYS 17 HE3 0.00 -0.02 -0.01 -0.04 2.99 2.92 3n29A1 LEU 18 H -0.02 0.45 0.02 -0.55 8.37 8.28 3n29A1 LEU 18 HA -0.09 0.11 0.46 -0.75 4.35 4.07 3n29A1 LEU 18 HB2 -0.01 -0.04 0.10 -0.04 1.64 1.64 3n29A1 LEU 18 HB3 0.00 0.09 0.18 -0.04 1.64 1.87 3n29A1 LEU 18 HG -0.02 0.03 -0.26 -0.04 1.64 1.34 3n29A1 LEU 18 HD13 -0.17 -0.01 -0.01 -0.04 0.93 0.70 3n29A1 LEU 18 HD23 0.14 -0.02 -0.05 -0.04 0.89 0.92 3n29A1 ARG 19 H -0.02 0.67 -0.08 -0.55 8.46 8.48 3n29A1 ARG 19 HA -0.27 0.03 0.44 -0.75 4.34 3.78 3n29A1 ARG 19 HB2 0.02 0.06 0.12 -0.04 1.90 2.06 3n29A1 ARG 19 HB3 0.04 -0.00 -0.00 -0.04 1.80 1.80 3n29A1 ARG 19 HG2 0.21 0.02 0.01 -0.04 1.67 1.87 3n29A1 ARG 19 HG3 0.07 0.02 0.04 -0.04 1.67 1.76 3n29A1 ARG 19 HD2 0.06 -0.05 -0.05 -0.04 3.22 3.14 3n29A1 ARG 19 HD3 0.11 0.04 -0.01 -0.04 3.22 3.32 3n29A1 LYS 20 H -0.05 0.42 -0.20 -0.55 8.42 8.03 3n29A1 LYS 20 HA -0.06 0.01 0.52 -0.75 4.32 4.04 3n29A1 LYS 20 HB2 -0.03 0.13 0.23 -0.04 1.87 2.15 3n29A1 LYS 20 HB3 -0.02 -0.04 0.00 -0.04 1.79 1.69 3n29A1 LYS 20 HG2 -0.01 -0.05 0.07 -0.04 1.46 1.44 3n29A1 LYS 20 HG3 -0.01 0.12 0.12 -0.04 1.46 1.65 3n29A1 LYS 20 HD2 0.00 -0.02 -0.02 -0.04 1.69 1.62 3n29A1 LYS 20 HD3 0.00 -0.01 0.03 -0.04 1.68 1.66 3n29A1 LYS 20 HE2 0.01 -0.02 0.00 -0.04 2.99 2.94 3n29A1 LYS 20 HE3 0.01 -0.01 0.01 -0.04 2.99 2.96 3n29A1 ASN 21 H -0.08 0.56 -0.04 -0.55 8.53 8.41 3n29A1 ASN 21 HA -0.07 -0.00 0.62 -0.75 4.76 4.55 3n29A1 ASN 21 HB2 -0.13 0.15 0.23 -0.04 2.88 3.09 3n29A1 ASN 21 HB3 -0.10 -0.07 0.07 -0.04 2.79 2.65 3n29A1 ASN 21 HD21 0.06 0.43 -0.09 -0.04 7.03 7.39 3n29A1 ASN 21 HD22 -0.06 0.21 -0.15 -0.04 7.74 7.70 3n29A1 CYS 22 H -0.29 0.64 -0.08 -0.55 8.50 8.22 3n29A1 CYS 22 HA -0.22 -0.04 0.46 -0.75 4.58 4.03 3n29A1 CYS 22 HB2 -0.99 0.10 0.13 -0.04 2.97 2.17 3n29A1 CYS 22 HB3 -0.84 0.00 0.01 -0.04 2.97 2.10 3n29A1 GLU 23 H -0.37 0.67 -0.09 -0.55 8.60 8.26 3n29A1 GLU 23 HA 0.05 0.05 0.42 -0.75 4.29 4.06 3n29A1 GLU 23 HB2 -0.07 0.12 0.22 -0.04 2.09 2.32 3n29A1 GLU 23 HB3 0.01 -0.06 -0.01 -0.04 1.99 1.89 3n29A1 GLU 23 HG2 0.15 -0.03 0.05 -0.04 2.34 2.47 3n29A1 GLU 23 HG3 -0.04 0.18 0.09 -0.04 2.34 2.53 3n29A1 LEU 24 H -0.09 0.46 -0.24 -0.55 8.37 7.95 3n29A1 LEU 24 HA -0.02 0.00 0.40 -0.75 4.35 3.98 3n29A1 LEU 24 HB2 -0.04 0.04 0.12 -0.04 1.64 1.73 3n29A1 LEU 24 HB3 -0.06 0.15 0.15 -0.04 1.64 1.83 3n29A1 LEU 24 HG -0.05 -0.06 -0.21 -0.04 1.64 1.28 3n29A1 LEU 24 HD13 -0.00 -0.03 0.03 -0.04 0.93 0.89 3n29A1 LEU 24 HD23 -0.04 0.00 -0.02 -0.04 0.89 0.80 3n29A1 LEU 25 H -0.09 0.55 -0.09 -0.55 8.37 8.20 3n29A1 LEU 25 HA -0.06 -0.06 0.44 -0.75 4.35 3.91 3n29A1 LEU 25 HB2 -0.07 0.14 0.05 -0.04 1.64 1.72 3n29A1 LEU 25 HB3 -0.05 -0.07 -0.06 -0.04 1.64 1.42 3n29A1 LEU 25 HG -0.10 0.25 -0.00 -0.04 1.64 1.75 3n29A1 LEU 25 HD13 -0.09 -0.02 -0.21 -0.04 0.93 0.56 3n29A1 LEU 25 HD23 -0.09 -0.06 -0.09 -0.04 0.89 0.61 3n29A1 ALA 26 H -0.01 0.80 -0.08 -0.55 8.40 8.56 3n29A1 ALA 26 HA 0.02 0.05 0.65 -0.75 4.34 4.30 3n29A1 ALA 26 HB3 0.13 0.03 0.16 -0.04 1.41 1.69 3n29A1 SER 27 H 0.01 0.54 -0.15 -0.55 8.46 8.31 3n29A1 SER 27 HA 0.01 0.02 0.45 -0.75 4.49 4.22 3n29A1 SER 27 HB2 0.01 0.11 0.14 -0.04 3.95 4.16 3n29A1 SER 27 HB3 -0.00 0.10 0.13 -0.04 3.93 4.11 3n29A1 VAL 28 H -0.02 0.43 -0.13 -0.55 8.24 7.97 3n29A1 VAL 28 HA -0.01 -0.02 0.51 -0.75 4.13 3.86 3n29A1 VAL 28 HB -0.04 0.18 0.12 -0.04 2.12 2.34 3n29A1 VAL 28 HG13 -0.03 -0.03 -0.21 -0.04 0.97 0.66 3n29A1 VAL 28 HG23 -0.02 0.02 0.03 -0.04 0.95 0.94 3n29A1 GLY 29 H -0.03 0.44 -0.17 -0.55 8.43 8.13 3n29A1 GLY 29 HA2 -0.06 0.10 0.45 -0.51 4.01 3.99 3n29A1 GLY 29 HA3 -0.04 0.07 0.33 -0.51 4.01 3.85 3n29A1 GLU 30 H -0.01 0.60 -0.06 -0.55 8.60 8.58 3n29A1 GLU 30 HA -0.01 0.03 0.43 -0.75 4.29 3.98 3n29A1 GLU 30 HB2 0.00 0.07 0.13 -0.04 2.09 2.25 3n29A1 GLU 30 HB3 0.00 0.02 0.21 -0.04 1.99 2.18 3n29A1 GLU 30 HG2 -0.00 0.01 -0.12 -0.04 2.34 2.18 3n29A1 GLU 30 HG3 -0.00 -0.01 0.03 -0.04 2.34 2.31 3n29A1 LYS 31 H -0.01 0.57 -0.11 -0.55 8.42 8.32 3n29A1 LYS 31 HA -0.00 0.09 0.45 -0.75 4.32 4.10 3n29A1 LYS 31 HB2 0.00 0.01 0.13 -0.04 1.87 1.98 3n29A1 LYS 31 HB3 0.01 -0.08 0.07 -0.04 1.79 1.75 3n29A1 LYS 31 HG2 0.00 -0.02 -0.02 -0.04 1.46 1.38 3n29A1 LYS 31 HG3 0.00 0.12 0.09 -0.04 1.46 1.63 3n29A1 LYS 31 HD2 0.01 -0.04 -0.04 -0.04 1.69 1.58 3n29A1 LYS 31 HD3 0.01 -0.06 -0.00 -0.04 1.68 1.59 3n29A1 LYS 31 HE2 0.01 0.02 0.00 -0.04 2.99 2.98 3n29A1 LYS 31 HE3 0.01 -0.03 -0.01 -0.04 2.99 2.91 3n29A1 SER 32 H -0.01 0.46 -0.12 -0.55 8.46 8.24 3n29A1 SER 32 HA 0.01 0.10 0.59 -0.75 4.49 4.44 3n29A1 SER 32 HB2 -0.00 -0.07 0.11 -0.04 3.95 3.94 3n29A1 SER 32 HB3 -0.00 -0.12 0.13 -0.04 3.93 3.90 3n29A1 GLY 33 H -0.03 0.44 -0.15 -0.55 8.43 8.15 3n29A1 GLY 33 HA2 -0.04 0.06 0.33 -0.51 4.01 3.85 3n29A1 GLY 33 HA3 -0.03 0.05 0.60 -0.51 4.01 4.13 3n29A1 ALA 34 H -0.07 -0.06 -0.41 -0.55 8.40 7.31 3n29A1 ALA 34 HA -0.21 0.15 0.45 -0.75 4.34 3.98 3n29A1 ALA 34 HB3 -0.17 -0.05 -0.17 -0.04 1.41 0.98 3n29A1 LYS 35 H -0.43 0.60 0.38 -0.55 8.42 8.42 3n29A1 LYS 35 HA -0.17 0.16 0.78 -0.75 4.32 4.34 3n29A1 LYS 35 HB2 -0.90 -0.01 0.17 -0.04 1.87 1.08 3n29A1 LYS 35 HB3 -0.21 -0.05 -0.02 -0.04 1.79 1.48 3n29A1 LYS 35 HG2 -0.16 0.02 -0.01 -0.04 1.46 1.27 3n29A1 LYS 35 HG3 -0.29 0.14 -0.05 -0.04 1.46 1.22 3n29A1 LYS 35 HD2 -0.16 0.05 -0.02 -0.04 1.69 1.52 3n29A1 LYS 35 HD3 -0.57 -0.05 -0.04 -0.04 1.68 0.98 3n29A1 LYS 35 HE2 -0.02 -0.06 -0.04 -0.04 2.99 2.83 3n29A1 LYS 35 HE3 -0.05 0.04 -0.01 -0.04 2.99 2.92 3n29A1 VAL 36 H -0.08 0.24 0.18 -0.55 8.24 8.03 3n29A1 VAL 36 HA -0.07 0.13 0.85 -0.75 4.13 4.28 3n29A1 VAL 36 HB -0.04 0.04 0.07 -0.04 2.12 2.15 3n29A1 VAL 36 HG13 -0.04 -0.03 -0.12 -0.04 0.97 0.75 3n29A1 VAL 36 HG23 -0.07 0.04 -0.14 -0.04 0.95 0.74 3n29A1 LEU 37 H -0.04 0.70 0.39 -0.55 8.37 8.87 3n29A1 LEU 37 HA -0.03 0.18 0.93 -0.75 4.35 4.67 3n29A1 LEU 37 HB2 -0.09 -0.09 -0.14 -0.04 1.64 1.28 3n29A1 LEU 37 HB3 -0.09 -0.06 -0.39 -0.04 1.64 1.05 3n29A1 LEU 37 HG -0.11 0.05 -0.34 -0.04 1.64 1.20 3n29A1 LEU 37 HD13 -0.74 -0.01 -0.29 -0.04 0.93 -0.15 3n29A1 LEU 37 HD23 -0.19 0.01 -0.41 -0.04 0.89 0.26 3n29A1 LEU 38 H 0.02 0.66 0.34 -0.55 8.37 8.85 3n29A1 LEU 38 HA 0.03 0.20 0.75 -0.75 4.35 4.58 3n29A1 LEU 38 HB2 0.09 0.02 0.07 -0.04 1.64 1.77 3n29A1 LEU 38 HB3 0.09 0.06 0.21 -0.04 1.64 1.97 3n29A1 LEU 38 HG 0.14 -0.08 -0.43 -0.04 1.64 1.23 3n29A1 LEU 38 HD13 0.18 0.01 -0.00 -0.04 0.93 1.07 3n29A1 LEU 38 HD23 0.26 0.01 -0.09 -0.04 0.89 1.03 3n29A1 ALA 39 H 0.03 0.71 0.01 -0.55 8.40 8.60 3n29A1 ALA 39 HA 0.03 0.14 0.74 -0.75 4.34 4.49 3n29A1 ALA 39 HB3 0.01 -0.01 -0.04 -0.04 1.41 1.33 3n29A1 LEU 40 H 0.04 0.61 0.29 -0.55 8.37 8.77 3n29A1 LEU 40 HA 0.04 0.30 0.30 -0.75 4.35 4.24 3n29A1 LEU 40 HB2 0.02 -0.01 0.16 -0.04 1.64 1.76 3n29A1 LEU 40 HB3 -0.08 -0.03 0.01 -0.04 1.64 1.50 3n29A1 LEU 40 HG 0.11 0.08 0.06 -0.04 1.64 1.85 3n29A1 LEU 40 HD13 0.19 -0.02 -0.02 -0.04 0.93 1.03 3n29A1 LEU 40 HD23 0.15 0.04 0.02 -0.04 0.89 1.07 3n29A1 LYS 41 H -0.01 0.08 -0.33 -0.55 8.42 7.60 3n29A1 LYS 41 HA -0.05 0.09 0.29 -0.75 4.32 3.89 3n29A1 LYS 41 HB2 0.01 0.00 0.03 -0.04 1.87 1.87 3n29A1 LYS 41 HB3 0.03 -0.09 -0.02 -0.04 1.79 1.67 3n29A1 LYS 41 HG2 0.10 0.01 -0.18 -0.04 1.46 1.35 3n29A1 LYS 41 HG3 0.03 0.04 0.00 -0.04 1.46 1.49 3n29A1 LYS 41 HD2 0.18 0.03 -0.06 -0.04 1.69 1.80 3n29A1 LYS 41 HD3 0.07 0.04 -0.04 -0.04 1.68 1.71 3n29A1 LYS 41 HE2 0.03 -0.02 -0.04 -0.04 2.99 2.92 3n29A1 LYS 41 HE3 0.16 -0.08 -0.06 -0.04 2.99 2.97 3n29A1 GLY 42 H -0.13 0.20 -0.21 -0.55 8.43 7.74 3n29A1 GLY 42 HA2 -1.16 0.15 0.66 -0.51 4.01 3.14 3n29A1 GLY 42 HA3 -0.89 -0.11 0.22 -0.51 4.01 2.72 3n29A1 PHE 43 H 0.01 0.33 -0.19 -0.55 8.34 7.94 3n29A1 PHE 43 HA -0.04 0.10 0.83 -0.75 4.62 4.76 3n29A1 PHE 43 HB2 0.01 -0.05 -0.27 -0.04 3.15 2.80 3n29A1 PHE 43 HB3 -0.00 0.06 0.03 -0.04 3.06 3.11 3n29A1 PHE 43 HD2 0.06 0.04 -0.18 -0.04 7.28 7.15 3n29A1 PHE 43 HE2 0.02 0.04 -0.14 -0.04 7.38 7.26 3n29A1 PHE 43 HZ -0.03 0.03 -0.11 -0.04 7.32 7.17 3n29A1 ALA 44 H -0.37 0.13 -0.02 -0.55 8.40 7.60 3n29A1 ALA 44 HA -0.06 0.20 0.67 -0.75 4.34 4.40 3n29A1 ALA 44 HB3 -0.45 0.06 -0.01 -0.04 1.41 0.97 3n29A1 PHE 45 H -0.85 0.12 -0.12 -0.55 8.34 6.93 3n29A1 PHE 45 HA -0.26 0.06 0.29 -0.75 4.62 3.96 3n29A1 PHE 45 HB2 -0.79 0.01 0.07 -0.04 3.15 2.40 3n29A1 PHE 45 HB3 -0.37 -0.01 0.05 -0.04 3.06 2.69 3n29A1 PHE 45 HD2 -0.11 -0.06 -0.15 -0.04 7.28 6.92 3n29A1 PHE 45 HE2 0.00 0.05 -0.11 -0.04 7.38 7.29 3n29A1 PHE 45 HZ 0.03 0.13 -0.10 -0.04 7.32 7.33 3n29A1 SER 46 H -0.37 0.17 0.22 -0.55 8.46 7.93 3n29A1 SER 46 HA -0.26 0.11 0.11 -0.75 4.49 3.69 3n29A1 SER 46 HB2 -0.78 0.08 0.08 -0.04 3.95 3.29 3n29A1 SER 46 HB3 -0.28 0.07 0.15 -0.04 3.93 3.83 3n29A1 GLY 47 H -0.24 0.02 -0.20 -0.55 8.43 7.47 3n29A1 GLY 47 HA2 0.06 0.15 0.30 -0.51 4.01 4.01 3n29A1 GLY 47 HA3 0.16 -0.00 0.24 -0.51 4.01 3.89 3n29A1 ALA 48 H 0.24 0.57 -0.56 -0.55 8.40 8.10 3n29A1 ALA 48 HA 0.18 0.15 0.80 -0.75 4.34 4.72 3n29A1 ALA 48 HB3 0.24 0.01 -0.07 -0.04 1.41 1.55 3n29A1 MET 49 H 0.11 0.45 -0.06 -0.55 8.47 8.43 3n29A1 MET 49 HA 0.17 -0.02 0.31 -0.75 4.52 4.22 3n29A1 MET 49 HB2 0.08 0.18 0.04 -0.04 2.15 2.41 3n29A1 MET 49 HB3 0.10 0.04 -0.23 -0.04 2.03 1.91 3n29A1 MET 49 HG2 0.08 0.08 -0.26 -0.04 2.63 2.48 3n29A1 MET 49 HG3 -0.02 0.01 -0.17 -0.04 2.56 2.35 3n29A1 MET 49 HE3 0.26 0.01 -0.15 -0.04 2.10 2.18 3n29A1 LYS 50 H 0.10 0.13 -0.19 -0.55 8.42 7.89 3n29A1 LYS 50 HA 0.06 0.20 0.37 -0.75 4.32 4.20 3n29A1 LYS 50 HB2 0.05 0.11 0.08 -0.04 1.87 2.08 3n29A1 LYS 50 HB3 0.07 -0.08 0.04 -0.04 1.79 1.77 3n29A1 LYS 50 HG2 0.03 -0.04 -0.17 -0.04 1.46 1.24 3n29A1 LYS 50 HG3 0.02 0.10 0.03 -0.04 1.46 1.57 3n29A1 LYS 50 HD2 0.02 0.04 -0.01 -0.04 1.69 1.70 3n29A1 LYS 50 HD3 0.03 -0.06 -0.04 -0.04 1.68 1.57 3n29A1 LYS 50 HE2 0.01 -0.04 -0.04 -0.04 2.99 2.87 3n29A1 LYS 50 HE3 0.00 0.07 -0.03 -0.04 2.99 2.99 3n29A1 ILE 51 H 0.12 0.04 -0.33 -0.55 8.25 7.53 3n29A1 ILE 51 HA 0.10 0.08 0.39 -0.75 4.18 4.00 3n29A1 ILE 51 HB 0.15 0.08 0.14 -0.04 1.89 2.22 3n29A1 ILE 51 HG12 0.10 0.01 0.03 -0.04 1.49 1.59 3n29A1 ILE 51 HG13 0.10 -0.01 0.03 -0.04 1.21 1.29 3n29A1 ILE 51 HG23 0.19 -0.01 -0.14 -0.04 0.93 0.92 3n29A1 ILE 51 HD13 0.12 -0.01 0.05 -0.04 0.88 0.99 3n29A1 VAL 52 H 0.17 0.57 -0.08 -0.55 8.24 8.35 3n29A1 VAL 52 HA 0.20 -0.01 0.37 -0.75 4.13 3.92 3n29A1 VAL 52 HB 0.18 0.11 0.09 -0.04 2.12 2.46 3n29A1 VAL 52 HG13 0.11 -0.02 -0.10 -0.04 0.97 0.91 3n29A1 VAL 52 HG23 0.21 0.00 -0.04 -0.04 0.95 1.08 3n29A1 GLY 53 H 0.11 0.53 -0.29 -0.55 8.43 8.23 3n29A1 GLY 53 HA2 0.06 -0.01 0.39 -0.51 4.01 3.94 3n29A1 GLY 53 HA3 0.05 0.09 0.29 -0.51 4.01 3.94 3n29A1 GLU 54 H 0.05 0.39 -0.49 -0.55 8.60 8.01 3n29A1 GLU 54 HA -0.12 0.05 0.55 -0.75 4.29 4.02 3n29A1 GLU 54 HB2 -0.34 0.14 0.12 -0.04 2.09 1.96 3n29A1 GLU 54 HB3 -0.50 -0.09 0.04 -0.04 1.99 1.40 3n29A1 GLU 54 HG2 -0.10 -0.02 0.04 -0.04 2.34 2.22 3n29A1 GLU 54 HG3 -0.03 0.21 0.11 -0.04 2.34 2.58 3n29A1 TYR 55 H 0.17 0.37 -0.17 -0.55 8.29 8.11 3n29A1 TYR 55 HA -0.01 0.22 1.01 -0.75 4.56 5.02 3n29A1 TYR 55 HB2 -0.01 0.01 0.11 -0.04 3.06 3.14 3n29A1 TYR 55 HB3 -0.02 -0.01 -0.02 -0.04 2.98 2.89 3n29A1 TYR 55 HD2 -0.00 0.11 -0.04 -0.04 7.15 7.17 3n29A1 TYR 55 HE2 -0.00 -0.04 -0.04 -0.04 6.85 6.72 3n29A1 LEU 56 H 0.12 0.43 0.21 -0.55 8.37 8.58 3n29A1 LEU 56 HA 0.03 0.09 0.64 -0.75 4.35 4.36 3n29A1 LEU 56 HB2 0.06 0.01 0.01 -0.04 1.64 1.67 3n29A1 LEU 56 HB3 0.02 0.03 0.05 -0.04 1.64 1.70 3n29A1 LEU 56 HG 0.07 0.04 -0.02 -0.04 1.64 1.69 3n29A1 LEU 56 HD13 0.01 -0.04 -0.22 -0.04 0.93 0.64 3n29A1 LEU 56 HD23 0.01 -0.00 -0.27 -0.04 0.89 0.59 3n29A1 LYS 57 H -0.02 0.64 0.34 -0.55 8.42 8.83 3n29A1 LYS 57 HA -0.02 0.24 0.69 -0.75 4.32 4.48 3n29A1 LYS 57 HB2 -0.03 -0.01 -0.10 -0.04 1.87 1.68 3n29A1 LYS 57 HB3 -0.03 -0.03 0.05 -0.04 1.79 1.73 3n29A1 LYS 57 HG2 -0.04 -0.05 0.10 -0.04 1.46 1.43 3n29A1 LYS 57 HG3 -0.07 -0.06 0.04 -0.04 1.46 1.32 3n29A1 LYS 57 HD2 -0.04 -0.02 0.02 -0.04 1.69 1.61 3n29A1 LYS 57 HD3 -0.03 0.12 -0.12 -0.04 1.68 1.61 3n29A1 LYS 57 HE2 -0.04 0.01 -0.01 -0.04 2.99 2.91 3n29A1 LYS 57 HE3 -0.06 -0.00 -0.01 -0.04 2.99 2.88 3n29A1 GLY 58 H -0.00 0.21 0.11 -0.55 8.43 8.20 3n29A1 GLY 58 HA2 0.02 0.04 0.12 -0.51 4.01 3.68 3n29A1 GLY 58 HA3 0.01 0.17 0.77 -0.51 4.01 4.45 3n29A1 CYS 59 H 0.07 0.71 0.28 -0.55 8.50 9.01 3n29A1 CYS 59 HA 0.05 0.14 0.99 -0.75 4.58 5.01 3n29A1 CYS 59 HB2 0.10 0.01 0.11 -0.04 2.97 3.15 3n29A1 CYS 59 HB3 0.10 -0.01 0.00 -0.04 2.97 3.02 3n29A1 THR 60 H 0.03 0.56 0.13 -0.55 8.28 8.45 3n29A1 THR 60 HA 0.06 0.35 1.05 -0.75 4.39 5.10 3n29A1 THR 60 HB 0.01 -0.11 -0.01 -0.04 4.32 4.17 3n29A1 THR 60 HG23 0.05 -0.00 -0.20 -0.04 1.22 1.03 3n29A1 CYS 61 H 0.08 0.87 0.41 -0.55 8.50 9.31 3n29A1 CYS 61 HA 0.05 0.04 0.81 -0.75 4.58 4.74 3n29A1 CYS 61 HB2 0.08 0.07 -0.12 -0.04 2.97 2.95 3n29A1 CYS 61 HB3 0.08 -0.16 -0.14 -0.04 2.97 2.71 3n29A1 SER 62 H 0.02 0.08 0.15 -0.55 8.46 8.17 3n29A1 SER 62 HA -0.03 0.50 0.79 -0.75 4.49 5.00 3n29A1 SER 62 HB2 -0.07 0.05 0.17 -0.04 3.95 4.06 3n29A1 SER 62 HB3 -0.00 -0.04 0.08 -0.04 3.93 3.92 3n29A1 GLY 63 H 0.03 0.19 -0.18 -0.55 8.43 7.93 3n29A1 GLY 63 HA2 0.03 0.14 0.35 -0.51 4.01 4.01 3n29A1 GLY 63 HA3 -0.07 0.08 0.28 -0.51 4.01 3.79 3n29A1 LEU 64 H -0.03 0.21 0.11 -0.55 8.37 8.12 3n29A1 LEU 64 HA 0.09 0.15 0.19 -0.75 4.35 4.02 3n29A1 LEU 64 HB2 0.03 0.02 0.10 -0.04 1.64 1.76 3n29A1 LEU 64 HB3 -0.00 -0.03 0.14 -0.04 1.64 1.71 3n29A1 LEU 64 HG 0.31 0.02 -0.22 -0.04 1.64 1.71 3n29A1 LEU 64 HD13 0.08 0.02 -0.03 -0.04 0.93 0.96 3n29A1 LEU 64 HD23 0.12 0.02 -0.01 -0.04 0.89 0.98 3n29A1 TRP 65 H 0.14 0.10 -0.04 -0.55 7.97 7.62 3n29A1 TRP 65 HA 0.04 0.15 0.29 -0.75 4.62 4.35 3n29A1 TRP 65 HB2 -0.01 -0.04 0.06 -0.04 3.23 3.20 3n29A1 TRP 65 HB3 0.01 0.09 -0.01 -0.04 3.23 3.27 3n29A1 TRP 65 HD1 0.02 -0.07 -0.15 -0.04 7.22 6.98 3n29A1 TRP 65 HE1 0.01 0.04 -0.02 -0.04 10.20 10.18 3n29A1 TRP 65 HE3 -0.02 -0.01 -0.02 -0.04 7.59 7.50 3n29A1 TRP 65 HZ2 -0.00 0.02 -0.01 -0.04 7.44 7.41 3n29A1 TRP 65 HZ3 -0.02 0.05 -0.01 -0.04 7.13 7.11 3n29A1 TRP 65 HH2 -0.01 0.05 -0.01 -0.04 7.19 7.19 3n29A1 GLU 66 H 0.16 0.02 -0.29 -0.55 8.60 7.94 3n29A1 GLU 66 HA 0.13 0.15 0.44 -0.75 4.29 4.25 3n29A1 GLU 66 HB2 0.07 -0.16 0.10 -0.04 2.09 2.06 3n29A1 GLU 66 HB3 0.08 0.07 0.02 -0.04 1.99 2.12 3n29A1 GLU 66 HG2 -0.04 0.12 -0.03 -0.04 2.34 2.35 3n29A1 GLU 66 HG3 0.04 0.01 -0.04 -0.04 2.34 2.31 3n29A1 ALA 67 H 0.13 0.40 -0.19 -0.55 8.40 8.19 3n29A1 ALA 67 HA 0.11 0.02 0.33 -0.75 4.34 4.05 3n29A1 ALA 67 HB3 0.07 0.03 -0.01 -0.04 1.41 1.46 3n29A1 LYS 68 H 0.15 0.64 -0.05 -0.55 8.42 8.61 3n29A1 LYS 68 HA 0.06 0.09 0.50 -0.75 4.32 4.22 3n29A1 LYS 68 HB2 0.14 0.03 0.09 -0.04 1.87 2.09 3n29A1 LYS 68 HB3 0.05 -0.01 -0.02 -0.04 1.79 1.77 3n29A1 LYS 68 HG2 0.05 0.03 0.00 -0.04 1.46 1.51 3n29A1 LYS 68 HG3 0.11 0.02 0.02 -0.04 1.46 1.57 3n29A1 LYS 68 HD2 0.12 -0.03 -0.06 -0.04 1.69 1.68 3n29A1 LYS 68 HD3 0.21 -0.08 -0.14 -0.04 1.68 1.64 3n29A1 LYS 68 HE2 0.03 -0.03 -0.04 -0.04 2.99 2.91 3n29A1 LYS 68 HE3 0.01 0.02 -0.04 -0.04 2.99 2.94 3n29A1 PHE 69 H 0.30 0.42 -0.26 -0.55 8.34 8.24 3n29A1 PHE 69 HA 0.17 0.02 0.48 -0.75 4.62 4.54 3n29A1 PHE 69 HB2 0.07 0.08 0.14 -0.04 3.15 3.40 3n29A1 PHE 69 HB3 0.08 0.07 0.18 -0.04 3.06 3.35 3n29A1 PHE 69 HD2 0.05 0.02 -0.10 -0.04 7.28 7.21 3n29A1 PHE 69 HE2 -0.19 -0.04 -0.07 -0.04 7.38 7.04 3n29A1 PHE 69 HZ -0.39 0.04 -0.00 -0.04 7.32 6.92 3n29A1 ALA 70 H 0.28 0.60 -0.02 -0.55 8.40 8.71 3n29A1 ALA 70 HA 0.16 -0.05 0.44 -0.75 4.34 4.13 3n29A1 ALA 70 HB3 0.13 0.03 0.09 -0.04 1.41 1.62 3n29A1 LYS 71 H 0.07 0.60 -0.15 -0.55 8.42 8.38 3n29A1 LYS 71 HA 0.02 0.02 0.38 -0.75 4.32 3.99 3n29A1 LYS 71 HB2 0.02 0.02 0.09 -0.04 1.87 1.96 3n29A1 LYS 71 HB3 0.01 0.04 0.17 -0.04 1.79 1.96 3n29A1 LYS 71 HG2 -0.01 -0.05 -0.03 -0.04 1.46 1.32 3n29A1 LYS 71 HG3 -0.04 0.00 -0.24 -0.04 1.46 1.15 3n29A1 LYS 71 HD2 -0.00 -0.02 0.09 -0.04 1.69 1.72 3n29A1 LYS 71 HD3 0.00 0.06 0.02 -0.04 1.68 1.72 3n29A1 LYS 71 HE2 -0.02 -0.03 -0.02 -0.04 2.99 2.88 3n29A1 LYS 71 HE3 -0.03 -0.03 -0.02 -0.04 2.99 2.87 3n29A1 GLU 72 H -0.07 0.49 -0.12 -0.55 8.60 8.35 3n29A1 GLU 72 HA -0.20 0.09 0.48 -0.75 4.29 3.90 3n29A1 GLU 72 HB2 -0.22 -0.03 0.09 -0.04 2.09 1.88 3n29A1 GLU 72 HB3 -0.30 0.00 0.20 -0.04 1.99 1.85 3n29A1 GLU 72 HG2 -1.76 -0.02 -0.32 -0.04 2.34 0.21 3n29A1 GLU 72 HG3 -0.57 0.01 -0.12 -0.04 2.34 1.62 3n29A1 TYR 73 H -0.24 0.46 0.08 -0.55 8.29 8.04 3n29A1 TYR 73 HA -0.15 0.25 1.23 -0.75 4.56 5.14 3n29A1 TYR 73 HB2 -0.55 0.01 0.00 -0.04 3.06 2.48 3n29A1 TYR 73 HB3 -0.22 -0.08 0.04 -0.04 2.98 2.68 3n29A1 TYR 73 HD2 -0.70 0.10 0.08 -0.04 7.15 6.58 3n29A1 TYR 73 HE2 -0.23 -0.02 -0.01 -0.04 6.85 6.55 3n29A1 MET 74 H 0.01 0.39 -0.01 -0.55 8.47 8.32 3n29A1 MET 74 HA 0.04 0.16 0.77 -0.75 4.52 4.73 3n29A1 MET 74 HB2 0.08 -0.12 -0.06 -0.04 2.15 2.02 3n29A1 MET 74 HB3 0.07 0.01 0.05 -0.04 2.03 2.11 3n29A1 MET 74 HG2 0.04 0.03 -0.25 -0.04 2.63 2.41 3n29A1 MET 74 HG3 0.06 0.05 -0.01 -0.04 2.56 2.62 3n29A1 MET 74 HE3 0.11 -0.01 -0.11 -0.04 2.10 2.04 3n29A1 ASP 75 H 0.01 0.48 0.13 -0.55 8.40 8.47 3n29A1 ASP 75 HA 0.02 0.01 0.35 -0.75 4.63 4.26 3n29A1 ASP 75 HB2 -0.03 0.12 -0.09 -0.04 2.71 2.67 3n29A1 ASP 75 HB3 -0.01 0.03 0.05 -0.04 2.70 2.73 3n29A1 LYS 76 H 0.04 -0.07 -0.29 -0.55 8.42 7.55 3n29A1 LYS 76 HA -0.01 0.20 0.72 -0.75 4.32 4.48 3n29A1 LYS 76 HB2 0.01 -0.14 -0.10 -0.04 1.87 1.60 3n29A1 LYS 76 HB3 -0.02 0.06 0.14 -0.04 1.79 1.93 3n29A1 LYS 76 HG2 -0.01 0.04 -0.07 -0.04 1.46 1.39 3n29A1 LYS 76 HG3 0.01 0.16 -0.38 -0.04 1.46 1.20 3n29A1 LYS 76 HD2 -0.00 0.02 -0.01 -0.04 1.69 1.66 3n29A1 LYS 76 HD3 0.02 -0.13 -0.03 -0.04 1.68 1.50 3n29A1 LYS 76 HE2 -0.01 -0.09 0.03 -0.04 2.99 2.88 3n29A1 LYS 76 HE3 -0.02 -0.08 0.05 -0.04 2.99 2.90 3n29A1 GLU 77 H -0.07 0.48 0.30 -0.55 8.60 8.76 3n29A1 GLU 77 HA -0.50 0.10 0.57 -0.75 4.29 3.70 3n29A1 GLU 77 HB2 -0.02 -0.03 0.09 -0.04 2.09 2.09 3n29A1 GLU 77 HB3 -0.08 -0.08 0.02 -0.04 1.99 1.80 3n29A1 GLU 77 HG2 -0.45 0.01 0.08 -0.04 2.34 1.94 3n29A1 GLU 77 HG3 -0.13 0.20 0.18 -0.04 2.34 2.54 3n29A1 ILE 78 H 0.49 0.19 0.28 -0.55 8.25 8.65 3n29A1 ILE 78 HA 0.14 0.17 0.98 -0.75 4.18 4.71 3n29A1 ILE 78 HB 0.10 0.15 0.22 -0.04 1.89 2.31 3n29A1 ILE 78 HG12 0.10 -0.12 -0.10 -0.04 1.49 1.33 3n29A1 ILE 78 HG13 0.14 0.23 -0.31 -0.04 1.21 1.23 3n29A1 ILE 78 HG23 0.05 -0.04 -0.22 -0.04 0.93 0.67 3n29A1 ILE 78 HD13 0.05 0.05 -0.06 -0.04 0.88 0.89 3n29A1 HIS 79 H 0.17 0.66 0.31 -0.55 8.41 9.01 3n29A1 HIS 79 HA -0.06 0.24 1.00 -0.75 4.63 5.05 3n29A1 HIS 79 HB2 -0.11 -0.06 0.12 -0.04 3.26 3.17 3n29A1 HIS 79 HB3 -0.15 -0.01 -0.13 -0.04 3.20 2.88 3n29A1 HIS 79 HD2 -0.19 -0.03 -0.55 -0.04 6.97 6.16 3n29A1 HIS 79 HE1 -2.20 0.07 -0.17 -0.04 7.75 5.41 3n29A1 THR 80 H 0.02 0.71 0.27 -0.55 8.28 8.73 3n29A1 THR 80 HA 0.09 0.27 0.98 -0.75 4.39 4.98 3n29A1 THR 80 HB 0.03 0.06 0.05 -0.04 4.32 4.43 3n29A1 THR 80 HG23 0.19 -0.06 -0.30 -0.04 1.22 1.01 3n29A1 TYR 81 H 0.09 0.69 0.38 -0.55 8.29 8.91 3n29A1 TYR 81 HA 0.04 0.33 0.90 -0.75 4.56 5.08 3n29A1 TYR 81 HB2 -0.22 0.01 -0.15 -0.04 3.06 2.66 3n29A1 TYR 81 HB3 -0.12 -0.05 -0.04 -0.04 2.98 2.74 3n29A1 TYR 81 HD2 -0.09 0.06 -0.24 -0.04 7.15 6.84 3n29A1 TYR 81 HE2 -0.01 -0.02 -0.24 -0.04 6.85 6.54 3n29A1 SER 82 H -0.96 0.39 0.18 -0.55 8.46 7.52 3n29A1 SER 82 HA -0.89 0.24 0.75 -0.75 4.49 3.83 3n29A1 SER 82 HB2 -0.85 0.26 -0.15 -0.04 3.95 3.18 3n29A1 SER 82 HB3 -2.26 -0.09 -0.07 -0.04 3.93 1.47 3n29A1 PRO 83 HA -0.13 0.07 0.69 -0.51 4.44 4.55 3n29A1 PRO 83 HB2 -0.07 0.06 -0.06 -0.04 2.28 2.18 3n29A1 PRO 83 HB3 0.03 0.08 0.11 -0.04 2.02 2.19 3n29A1 PRO 83 HG2 -0.07 0.07 0.05 -0.04 2.03 2.04 3n29A1 PRO 83 HG3 0.04 0.03 0.04 -0.04 2.03 2.10 3n29A1 PRO 83 HD2 -0.31 0.13 0.21 -0.04 3.68 3.67 3n29A1 PRO 83 HD3 -0.40 0.14 0.12 -0.04 3.65 3.46 3n29A1 ALA 84 H -0.42 0.02 -0.55 -0.55 8.40 6.91 3n29A1 ALA 84 HA -0.03 0.19 0.76 -0.75 4.34 4.50 3n29A1 ALA 84 HB3 -0.09 0.02 -0.02 -0.04 1.41 1.28 3n29A1 PHE 85 H -0.03 0.13 -0.01 -0.55 8.34 7.88 3n29A1 PHE 85 HA -0.11 0.02 0.52 -0.75 4.62 4.30 3n29A1 PHE 85 HB2 -0.01 0.02 0.00 -0.04 3.15 3.12 3n29A1 PHE 85 HB3 -0.45 0.02 -0.08 -0.04 3.06 2.52 3n29A1 PHE 85 HD2 0.05 -0.05 -0.04 -0.04 7.28 7.20 3n29A1 PHE 85 HE2 -0.19 0.06 -0.15 -0.04 7.38 7.06 3n29A1 PHE 85 HZ -0.21 0.07 -0.37 -0.04 7.32 6.77 3n29A1 LYS 86 H 0.05 0.08 0.18 -0.55 8.42 8.18 3n29A1 LYS 86 HA 0.19 0.28 0.91 -0.75 4.32 4.95 3n29A1 LYS 86 HB2 0.01 -0.06 0.09 -0.04 1.87 1.87 3n29A1 LYS 86 HB3 0.04 -0.08 0.06 -0.04 1.79 1.78 3n29A1 LYS 86 HG2 0.04 0.06 -0.05 -0.04 1.46 1.47 3n29A1 LYS 86 HG3 0.01 0.14 -0.24 -0.04 1.46 1.33 3n29A1 LYS 86 HD2 -0.04 0.07 -0.01 -0.04 1.69 1.66 3n29A1 LYS 86 HD3 -0.05 -0.05 0.01 -0.04 1.68 1.54 3n29A1 LYS 86 HE2 -0.00 -0.09 0.01 -0.04 2.99 2.86 3n29A1 LYS 86 HE3 -0.00 0.04 0.01 -0.04 2.99 2.99 3n29A1 GLU 87 H 0.20 0.25 0.15 -0.55 8.60 8.65 3n29A1 GLU 87 HA 0.28 0.11 0.36 -0.75 4.29 4.29 3n29A1 GLU 87 HB2 0.10 -0.01 0.11 -0.04 2.09 2.26 3n29A1 GLU 87 HB3 0.12 0.07 0.02 -0.04 1.99 2.16 3n29A1 GLU 87 HG2 0.31 0.05 0.03 -0.04 2.34 2.69 3n29A1 GLU 87 HG3 0.21 -0.03 0.10 -0.04 2.34 2.57 3n29A1 ASP 88 H 0.05 0.08 -0.21 -0.55 8.40 7.78 3n29A1 ASP 88 HA 0.03 0.17 0.41 -0.75 4.63 4.49 3n29A1 ASP 88 HB2 0.02 0.06 0.13 -0.04 2.71 2.88 3n29A1 ASP 88 HB3 0.03 0.03 0.07 -0.04 2.70 2.79 3n29A1 GLU 89 H -0.01 0.29 -0.45 -0.55 8.60 7.89 3n29A1 GLU 89 HA 0.00 0.30 0.96 -0.75 4.29 4.79 3n29A1 GLU 89 HB2 -0.00 -0.07 0.04 -0.04 2.09 2.02 3n29A1 GLU 89 HB3 -0.01 0.05 -0.08 -0.04 1.99 1.91 3n29A1 GLU 89 HG2 -0.01 -0.08 0.01 -0.04 2.34 2.22 3n29A1 GLU 89 HG3 -0.02 0.17 0.04 -0.04 2.34 2.49 3n29A1 ILE 90 H -0.09 0.28 0.02 -0.55 8.25 7.91 3n29A1 ILE 90 HA -0.25 -0.01 0.29 -0.75 4.18 3.45 3n29A1 ILE 90 HB -0.64 0.02 0.01 -0.04 1.89 1.24 3n29A1 ILE 90 HG12 -0.36 0.05 -0.08 -0.04 1.49 1.05 3n29A1 ILE 90 HG13 -0.19 0.09 -0.12 -0.04 1.21 0.95 3n29A1 ILE 90 HG23 0.04 0.08 -0.01 -0.04 0.93 1.00 3n29A1 ILE 90 HD13 -0.69 -0.02 -0.06 -0.04 0.88 0.06 3n29A1 GLY 91 H -0.03 0.14 -0.28 -0.55 8.43 7.72 3n29A1 GLY 91 HA2 -0.02 0.16 0.37 -0.51 4.01 4.02 3n29A1 GLY 91 HA3 -0.01 0.06 0.24 -0.51 4.01 3.80 3n29A1 GLU 92 H -0.01 0.13 -0.18 -0.55 8.60 7.99 3n29A1 GLU 92 HA -0.01 0.13 0.42 -0.75 4.29 4.08 3n29A1 GLU 92 HB2 0.02 0.01 0.08 -0.04 2.09 2.16 3n29A1 GLU 92 HB3 0.02 -0.00 0.11 -0.04 1.99 2.08 3n29A1 GLU 92 HG2 0.02 -0.01 -0.09 -0.04 2.34 2.22 3n29A1 GLU 92 HG3 0.01 0.05 0.04 -0.04 2.34 2.40 3n29A1 ILE 93 H -0.04 0.45 -0.14 -0.55 8.25 7.97 3n29A1 ILE 93 HA -0.02 -0.02 0.29 -0.75 4.18 3.68 3n29A1 ILE 93 HB -0.16 0.07 0.05 -0.04 1.89 1.82 3n29A1 ILE 93 HG12 0.04 -0.08 -0.20 -0.04 1.49 1.21 3n29A1 ILE 93 HG13 0.00 0.09 -0.02 -0.04 1.21 1.25 3n29A1 ILE 93 HG23 -0.14 0.00 -0.22 -0.04 0.93 0.54 3n29A1 ILE 93 HD13 0.12 -0.05 -0.16 -0.04 0.88 0.74 3n29A1 ALA 94 H -0.10 0.62 -0.14 -0.55 8.40 8.23 3n29A1 ALA 94 HA -0.10 0.01 0.39 -0.75 4.34 3.89 3n29A1 ALA 94 HB3 -0.05 0.01 0.10 -0.04 1.41 1.42 3n29A1 SER 95 H -0.04 0.30 -0.27 -0.55 8.46 7.90 3n29A1 SER 95 HA -0.05 0.07 0.42 -0.75 4.49 4.17 3n29A1 SER 95 HB2 -0.03 -0.04 0.07 -0.04 3.95 3.91 3n29A1 SER 95 HB3 -0.02 -0.03 0.09 -0.04 3.93 3.92 3n29A1 LEU 96 H -0.06 0.24 -0.38 -0.55 8.37 7.63 3n29A1 LEU 96 HA -0.07 0.14 0.56 -0.75 4.35 4.23 3n29A1 LEU 96 HB2 -0.02 0.00 0.04 -0.04 1.64 1.62 3n29A1 LEU 96 HB3 -0.01 -0.08 -0.08 -0.04 1.64 1.43 3n29A1 LEU 96 HG -0.01 0.07 -0.08 -0.04 1.64 1.58 3n29A1 LEU 96 HD13 0.03 -0.05 -0.24 -0.04 0.93 0.64 3n29A1 LEU 96 HD23 -0.01 0.01 -0.08 -0.04 0.89 0.77 3n29A1 SER 97 H -0.11 0.38 -0.07 -0.55 8.46 8.12 3n29A1 SER 97 HA -0.09 -0.02 0.43 -0.75 4.49 4.06 3n29A1 SER 97 HB2 -0.11 0.02 -0.08 -0.04 3.95 3.74 3n29A1 SER 97 HB3 -0.09 0.10 -0.05 -0.04 3.93 3.85 3n29A1 HIS 98 H -0.06 0.37 0.44 -0.55 8.41 8.62 3n29A1 HIS 98 HA -0.07 0.22 0.90 -0.75 4.63 4.93 3n29A1 HIS 98 HB2 -0.48 -0.09 0.19 -0.04 3.26 2.85 3n29A1 HIS 98 HB3 -0.17 0.01 0.08 -0.04 3.20 3.08 3n29A1 HIS 98 HD2 -0.03 0.01 0.04 -0.04 6.97 6.95 3n29A1 HIS 98 HE1 -0.03 0.19 0.02 -0.04 7.75 7.89 3n29A1 HIS 99 H -0.34 0.23 0.29 -0.55 8.41 8.04 3n29A1 HIS 99 HA -0.13 0.38 1.02 -0.75 4.63 5.15 3n29A1 HIS 99 HB2 -0.69 -0.16 0.08 -0.04 3.26 2.46 3n29A1 HIS 99 HB3 -0.30 -0.00 -0.14 -0.04 3.20 2.71 3n29A1 HIS 99 HD2 -0.33 0.09 -0.59 -0.04 6.97 6.10 3n29A1 HIS 99 HE1 -2.21 0.02 -0.18 -0.04 7.75 5.34 3n29A1 ILE 100 H -0.00 0.73 0.21 -0.55 8.25 8.64 3n29A1 ILE 100 HA -0.10 0.20 0.82 -0.75 4.18 4.35 3n29A1 ILE 100 HB -0.25 0.06 -0.02 -0.04 1.89 1.64 3n29A1 ILE 100 HG12 -0.23 -0.08 -0.08 -0.04 1.49 1.05 3n29A1 ILE 100 HG13 -0.13 0.03 -0.56 -0.04 1.21 0.51 3n29A1 ILE 100 HG23 -0.88 -0.03 -0.24 -0.04 0.93 -0.26 3n29A1 ILE 100 HD13 -0.21 0.01 -0.19 -0.04 0.88 0.45 3n29A1 VAL 101 H 0.01 0.66 0.29 -0.55 8.24 8.65 3n29A1 VAL 101 HA 0.04 0.22 0.95 -0.75 4.13 4.58 3n29A1 VAL 101 HB 0.12 -0.06 -0.02 -0.04 2.12 2.12 3n29A1 VAL 101 HG13 0.04 -0.03 -0.46 -0.04 0.97 0.48 3n29A1 VAL 101 HG23 0.27 -0.01 -0.35 -0.04 0.95 0.82 3n29A1 PHE 102 H 0.14 0.80 0.34 -0.55 8.34 9.07 3n29A1 PHE 102 HA 0.34 0.13 0.93 -0.75 4.62 5.27 3n29A1 PHE 102 HB2 0.12 0.10 0.14 -0.04 3.15 3.46 3n29A1 PHE 102 HB3 0.22 -0.16 0.11 -0.04 3.06 3.19 3n29A1 PHE 102 HD2 0.23 0.01 -0.04 -0.04 7.28 7.44 3n29A1 PHE 102 HE2 0.09 0.03 -0.12 -0.04 7.38 7.33 3n29A1 PHE 102 HZ 0.09 0.09 -0.20 -0.04 7.32 7.25 3n29A1 ASN 103 H 0.34 0.16 0.23 -0.55 8.53 8.71 3n29A1 ASN 103 HA 0.34 0.09 0.72 -0.75 4.76 5.15 3n29A1 ASN 103 HB2 0.15 0.05 0.11 -0.04 2.88 3.14 3n29A1 ASN 103 HB3 0.13 0.09 0.19 -0.04 2.79 3.15 3n29A1 ASN 103 HD21 0.13 0.51 0.27 -0.04 7.03 7.90 3n29A1 ASN 103 HD22 0.10 0.02 0.07 -0.04 7.74 7.89 3n29A1 SER 104 H 0.22 0.13 0.08 -0.55 8.46 8.34 3n29A1 SER 104 HA 0.08 0.24 0.66 -0.75 4.49 4.72 3n29A1 SER 104 HB2 0.04 0.01 0.11 -0.04 3.95 4.07 3n29A1 SER 104 HB3 0.09 0.22 -0.21 -0.04 3.93 3.98 3n29A1 LEU 105 H -0.04 0.25 0.15 -0.55 8.37 8.18 3n29A1 LEU 105 HA -0.12 0.13 0.36 -0.75 4.35 3.97 3n29A1 LEU 105 HB2 -0.11 -0.02 0.14 -0.04 1.64 1.61 3n29A1 LEU 105 HB3 -0.31 0.07 0.03 -0.04 1.64 1.38 3n29A1 LEU 105 HG -0.16 -0.06 0.05 -0.04 1.64 1.42 3n29A1 LEU 105 HD13 -0.13 0.07 0.03 -0.04 0.93 0.86 3n29A1 LEU 105 HD23 -0.24 0.01 -0.05 -0.04 0.89 0.57 3n29A1 ALA 106 H -0.06 0.11 -0.07 -0.55 8.40 7.83 3n29A1 ALA 106 HA -0.07 0.13 0.40 -0.75 4.34 4.05 3n29A1 ALA 106 HB3 -0.03 0.03 0.06 -0.04 1.41 1.43 3n29A1 GLN 107 H 0.00 0.07 -0.29 -0.55 8.47 7.70 3n29A1 GLN 107 HA -0.01 0.10 0.31 -0.75 4.36 4.00 3n29A1 GLN 107 HB2 0.21 -0.05 0.17 -0.04 2.15 2.43 3n29A1 GLN 107 HB3 0.45 0.01 0.04 -0.04 2.02 2.48 3n29A1 GLN 107 HG2 0.11 -0.01 -0.00 -0.04 2.40 2.46 3n29A1 GLN 107 HG3 0.16 0.06 0.05 -0.04 2.39 2.62 3n29A1 GLN 107 HE21 0.36 0.32 0.04 -0.04 6.97 7.65 3n29A1 GLN 107 HE22 0.18 -0.00 0.00 -0.04 7.69 7.83 3n29A1 PHE 108 H -0.10 0.40 -0.12 -0.55 8.34 7.97 3n29A1 PHE 108 HA -1.84 0.03 0.36 -0.75 4.62 2.41 3n29A1 PHE 108 HB2 -0.28 -0.03 0.07 -0.04 3.15 2.87 3n29A1 PHE 108 HB3 -0.40 0.06 0.19 -0.04 3.06 2.88 3n29A1 PHE 108 HD2 -0.34 -0.04 -0.01 -0.04 7.28 6.84 3n29A1 PHE 108 HE2 0.02 0.08 -0.06 -0.04 7.38 7.38 3n29A1 PHE 108 HZ 0.04 -0.06 -0.10 -0.04 7.32 7.16 3n29A1 HIS 109 H -0.46 0.72 -0.05 -0.55 8.41 8.07 3n29A1 HIS 109 HA -0.75 0.03 0.32 -0.75 4.63 3.47 3n29A1 HIS 109 HB2 -0.26 0.02 0.13 -0.04 3.26 3.11 3n29A1 HIS 109 HB3 -0.29 -0.03 0.04 -0.04 3.20 2.87 3n29A1 HIS 109 HD2 -1.00 -0.01 -0.05 -0.04 6.97 5.86 3n29A1 HIS 109 HE1 -0.08 -0.00 -0.01 -0.04 7.75 7.61 3n29A1 LYS 110 H -0.30 0.44 -0.31 -0.55 8.42 7.70 3n29A1 LYS 110 HA -0.29 0.03 0.46 -0.75 4.32 3.78 3n29A1 LYS 110 HB2 -0.34 0.09 0.11 -0.04 1.87 1.69 3n29A1 LYS 110 HB3 -0.83 0.06 0.09 -0.04 1.79 1.07 3n29A1 LYS 110 HG2 -0.80 -0.03 -0.06 -0.04 1.46 0.53 3n29A1 LYS 110 HG3 -0.35 -0.01 0.04 -0.04 1.46 1.10 3n29A1 LYS 110 HD2 -0.31 -0.01 -0.04 -0.04 1.69 1.29 3n29A1 LYS 110 HD3 -1.03 -0.02 -0.07 -0.04 1.68 0.53 3n29A1 LYS 110 HE2 -0.13 -0.09 -0.01 -0.04 2.99 2.72 3n29A1 LYS 110 HE3 -0.20 0.02 -0.00 -0.04 2.99 2.76 3n29A1 PHE 111 H -0.27 0.46 -0.18 -0.55 8.34 7.80 3n29A1 PHE 111 HA -0.03 0.12 0.72 -0.75 4.62 4.67 3n29A1 PHE 111 HB2 -0.06 0.12 0.00 -0.04 3.15 3.18 3n29A1 PHE 111 HB3 0.10 -0.04 0.01 -0.04 3.06 3.09 3n29A1 PHE 111 HD2 0.09 0.04 -0.07 -0.04 7.28 7.30 3n29A1 PHE 111 HE2 0.10 0.01 -0.13 -0.04 7.38 7.32 3n29A1 PHE 111 HZ 0.07 -0.11 -0.29 -0.04 7.32 6.95 3n29A1 GLN 112 H -0.16 0.38 -0.17 -0.55 8.47 7.98 3n29A1 GLN 112 HA 0.17 0.06 0.35 -0.75 4.36 4.19 3n29A1 GLN 112 HB2 -0.33 0.09 0.08 -0.04 2.15 1.95 3n29A1 GLN 112 HB3 -0.18 0.03 0.11 -0.04 2.02 1.94 3n29A1 GLN 112 HG2 -0.01 -0.02 -0.20 -0.04 2.40 2.13 3n29A1 GLN 112 HG3 0.13 0.03 -0.03 -0.04 2.39 2.48 3n29A1 GLN 112 HE21 0.10 -0.06 -0.04 -0.04 6.97 6.94 3n29A1 GLN 112 HE22 0.15 0.05 -0.03 -0.04 7.69 7.81 3n29A1 SER 113 H -0.02 0.18 -0.28 -0.55 8.46 7.80 3n29A1 SER 113 HA 0.03 0.12 0.24 -0.75 4.49 4.12 3n29A1 SER 113 HB2 -0.00 0.01 0.09 -0.04 3.95 4.01 3n29A1 SER 113 HB3 -0.03 0.01 0.05 -0.04 3.93 3.92 3n29A1 LYS 114 H 0.11 0.28 -0.44 -0.55 8.42 7.80 3n29A1 LYS 114 HA 0.05 0.14 0.77 -0.75 4.32 4.53 3n29A1 LYS 114 HB2 0.15 0.05 -0.02 -0.04 1.87 2.01 3n29A1 LYS 114 HB3 0.06 -0.05 0.07 -0.04 1.79 1.83 3n29A1 LYS 114 HG2 0.09 -0.05 -0.12 -0.04 1.46 1.34 3n29A1 LYS 114 HG3 0.19 -0.04 -0.01 -0.04 1.46 1.56 3n29A1 LYS 114 HD2 0.05 -0.00 0.01 -0.04 1.69 1.70 3n29A1 LYS 114 HD3 0.04 0.05 -0.11 -0.04 1.68 1.62 3n29A1 LYS 114 HE2 0.10 -0.02 -0.01 -0.04 2.99 3.02 3n29A1 LYS 114 HE3 0.05 -0.03 -0.01 -0.04 2.99 2.97 3n29A1 THR 115 H 0.10 0.46 -0.32 -0.55 8.28 7.97 3n29A1 THR 115 HA 0.03 0.17 0.90 -0.75 4.39 4.74 3n29A1 THR 115 HB 0.09 -0.03 0.10 -0.04 4.32 4.44 3n29A1 THR 115 HG23 0.06 -0.03 -0.21 -0.04 1.22 1.00 3n29A1 GLN 116 H 0.05 0.15 -0.18 -0.55 8.47 7.94 3n29A1 GLN 116 HA 0.07 0.15 0.36 -0.75 4.36 4.19 3n29A1 GLN 116 HB2 0.03 -0.02 0.07 -0.04 2.15 2.19 3n29A1 GLN 116 HB3 0.04 0.00 0.06 -0.04 2.02 2.09 3n29A1 GLN 116 HG2 0.05 0.01 0.02 -0.04 2.40 2.44 3n29A1 GLN 116 HG3 0.05 0.04 0.02 -0.04 2.39 2.46 3n29A1 GLN 116 HE21 0.02 -0.04 0.01 -0.04 6.97 6.92 3n29A1 GLN 116 HE22 0.03 0.02 0.02 -0.04 7.69 7.71 3n29A1 LYS 117 H 0.02 0.02 -0.30 -0.55 8.42 7.61 3n29A1 LYS 117 HA 0.03 0.16 0.65 -0.75 4.32 4.40 3n29A1 LYS 117 HB2 -0.00 0.00 0.00 -0.04 1.87 1.83 3n29A1 LYS 117 HB3 -0.00 0.04 0.11 -0.04 1.79 1.90 3n29A1 LYS 117 HG2 0.02 0.04 -0.05 -0.04 1.46 1.43 3n29A1 LYS 117 HG3 0.02 -0.10 -0.13 -0.04 1.46 1.20 3n29A1 LYS 117 HD2 0.00 -0.01 -0.03 -0.04 1.69 1.61 3n29A1 LYS 117 HD3 0.00 0.03 -0.00 -0.04 1.68 1.67 3n29A1 LYS 117 HE2 0.01 0.01 -0.02 -0.04 2.99 2.95 3n29A1 LYS 117 HE3 0.01 -0.03 -0.04 -0.04 2.99 2.90 3n29A1 ASN 118 H 0.04 0.27 -0.37 -0.55 8.53 7.92 3n29A1 ASN 118 HA 0.00 0.28 0.87 -0.75 4.76 5.16 3n29A1 ASN 118 HB2 0.02 -0.00 -0.12 -0.04 2.88 2.74 3n29A1 ASN 118 HB3 -0.03 -0.06 -0.20 -0.04 2.79 2.47 3n29A1 ASN 118 HD21 -0.08 0.45 0.11 -0.04 7.03 7.47 3n29A1 ASN 118 HD22 -0.09 0.37 -0.04 -0.04 7.74 7.94 3n29A1 SER 119 H 0.06 0.64 0.33 -0.55 8.46 8.94 3n29A1 SER 119 HA 0.11 0.14 0.76 -0.75 4.49 4.74 3n29A1 SER 119 HB2 0.12 0.07 0.11 -0.04 3.95 4.21 3n29A1 SER 119 HB3 -0.13 -0.09 0.19 -0.04 3.93 3.86 3n29A1 LEU 120 H 0.09 0.25 0.31 -0.55 8.37 8.47 3n29A1 LEU 120 HA 0.07 0.22 0.66 -0.75 4.35 4.55 3n29A1 LEU 120 HB2 0.05 0.11 0.25 -0.04 1.64 2.01 3n29A1 LEU 120 HB3 0.18 -0.07 0.06 -0.04 1.64 1.77 3n29A1 LEU 120 HG 0.15 0.24 0.05 -0.04 1.64 2.04 3n29A1 LEU 120 HD13 0.39 0.00 -0.01 -0.04 0.93 1.27 3n29A1 LEU 120 HD23 0.20 -0.02 -0.17 -0.04 0.89 0.87 3n29A1 GLY 121 H 0.08 0.77 0.52 -0.55 8.43 9.25 3n29A1 GLY 121 HA2 -0.25 0.27 0.99 -0.51 4.01 4.51 3n29A1 GLY 121 HA3 0.07 -0.05 0.23 -0.51 4.01 3.75 3n29A1 LEU 122 H -0.03 0.59 0.34 -0.55 8.37 8.72 3n29A1 LEU 122 HA 0.14 0.15 0.95 -0.75 4.35 4.84 3n29A1 LEU 122 HB2 0.15 0.04 0.05 -0.04 1.64 1.83 3n29A1 LEU 122 HB3 0.11 0.03 -0.07 -0.04 1.64 1.68 3n29A1 LEU 122 HG -0.20 -0.02 -0.31 -0.04 1.64 1.06 3n29A1 LEU 122 HD13 -0.35 0.01 -0.09 -0.04 0.93 0.46 3n29A1 LEU 122 HD23 -0.10 -0.01 -0.08 -0.04 0.89 0.65 3n29A1 ARG 123 H 0.20 0.61 0.24 -0.55 8.46 8.96 3n29A1 ARG 123 HA 0.19 0.21 0.76 -0.75 4.34 4.75 3n29A1 ARG 123 HB2 -0.08 -0.05 -0.10 -0.04 1.90 1.63 3n29A1 ARG 123 HB3 0.17 -0.03 0.11 -0.04 1.80 2.01 3n29A1 ARG 123 HG2 0.11 -0.02 -0.39 -0.04 1.67 1.34 3n29A1 ARG 123 HG3 0.19 0.10 -0.10 -0.04 1.67 1.81 3n29A1 ARG 123 HD2 -0.57 -0.03 -0.20 -0.04 3.22 2.38 3n29A1 ARG 123 HD3 -0.11 -0.08 -0.15 -0.04 3.22 2.84 3n29A1 CYS 124 H 0.09 0.75 0.43 -0.55 8.50 9.23 3n29A1 CYS 124 HA 0.15 0.21 0.76 -0.75 4.58 4.95 3n29A1 CYS 124 HB2 -0.21 -0.03 0.09 -0.04 2.97 2.78 3n29A1 CYS 124 HB3 -1.21 0.03 -0.10 -0.04 2.97 1.65 3n29A1 ASN 125 H 0.27 0.71 -0.02 -0.55 8.53 8.94 3n29A1 ASN 125 HA 0.12 0.11 0.63 -0.75 4.76 4.87 3n29A1 ASN 125 HB2 0.17 0.21 -0.32 -0.04 2.88 2.90 3n29A1 ASN 125 HB3 0.22 -0.11 -0.26 -0.04 2.79 2.60 3n29A1 ASN 125 HD21 0.09 -0.04 -0.01 -0.04 7.03 7.03 3n29A1 ASN 125 HD22 0.12 0.13 -0.12 -0.04 7.74 7.83 3n29A1 VAL 126 H 0.07 0.16 0.08 -0.55 8.24 8.00 3n29A1 VAL 126 HA 0.30 0.15 0.38 -0.75 4.13 4.22 3n29A1 VAL 126 HB -0.06 -0.04 0.03 -0.04 2.12 2.00 3n29A1 VAL 126 HG13 -0.05 0.01 -0.15 -0.04 0.97 0.74 3n29A1 VAL 126 HG23 -0.21 0.03 -0.14 -0.04 0.95 0.59 3n29A1 GLU 127 H 0.11 0.02 -0.16 -0.55 8.60 8.02 3n29A1 GLU 127 HA 0.08 0.03 0.27 -0.75 4.29 3.91 3n29A1 GLU 127 HB2 0.11 0.22 0.01 -0.04 2.09 2.39 3n29A1 GLU 127 HB3 0.08 -0.03 0.12 -0.04 1.99 2.11 3n29A1 GLU 127 HG2 0.08 0.02 -0.05 -0.04 2.34 2.34 3n29A1 GLU 127 HG3 0.14 0.10 -0.26 -0.04 2.34 2.28 3n29A1 PHE 128 H 0.12 0.21 0.10 -0.55 8.34 8.21 3n29A1 PHE 128 HA -0.02 0.16 0.76 -0.75 4.62 4.77 3n29A1 PHE 128 HB2 -0.03 0.17 -0.47 -0.04 3.15 2.78 3n29A1 PHE 128 HB3 -0.05 -0.05 -0.13 -0.04 3.06 2.79 3n29A1 PHE 128 HD2 -0.05 0.06 -0.01 -0.04 7.28 7.25 3n29A1 PHE 128 HE2 -0.03 -0.01 -0.05 -0.04 7.38 7.25 3n29A1 PHE 128 HZ -0.03 0.00 -0.02 -0.04 7.32 7.24 3n29A1 SER 129 H -0.91 0.18 0.05 -0.55 8.46 7.23 3n29A1 SER 129 HA -0.24 0.18 0.55 -0.75 4.49 4.23 3n29A1 SER 129 HB2 -0.25 0.04 0.07 -0.04 3.95 3.77 3n29A1 SER 129 HB3 -0.27 0.03 0.05 -0.04 3.93 3.69 3n29A1 GLY 140 HA2 0.01 -0.06 0.24 -0.51 4.01 3.68 3n29A1 GLY 140 HA3 -0.03 -0.01 0.25 -0.51 4.01 3.71 3n29A1 ARG 141 H -0.09 0.17 0.10 -0.55 8.46 8.08 3n29A1 ARG 141 HA -0.17 0.01 0.47 -0.75 4.34 3.89 3n29A1 ARG 141 HB2 -0.23 0.00 0.12 -0.04 1.90 1.75 3n29A1 ARG 141 HB3 -0.45 0.03 0.06 -0.04 1.80 1.40 3n29A1 ARG 141 HG2 -1.30 0.01 -0.00 -0.04 1.67 0.33 3n29A1 ARG 141 HG3 -0.35 -0.02 0.07 -0.04 1.67 1.34 3n29A1 ARG 141 HD2 -0.23 0.00 0.01 -0.04 3.22 2.96 3n29A1 ARG 141 HD3 -0.50 0.01 -0.01 -0.04 3.22 2.68 3n29A1 TYR 142 H -0.13 0.11 0.19 -0.55 8.29 7.90 3n29A1 TYR 142 HA 0.03 0.01 0.32 -0.75 4.56 4.17 3n29A1 TYR 142 HB2 0.02 0.20 0.10 -0.04 3.06 3.34 3n29A1 TYR 142 HB3 0.02 -0.03 0.15 -0.04 2.98 3.08 3n29A1 TYR 142 HD2 0.02 0.05 -0.05 -0.04 7.15 7.13 3n29A1 TYR 142 HE2 0.01 0.00 -0.03 -0.04 6.85 6.80 3n29A1 SER 143 H 0.07 0.29 -0.38 -0.55 8.46 7.88 3n29A1 SER 143 HA 0.09 0.01 0.33 -0.75 4.49 4.17 3n29A1 SER 143 HB2 0.06 0.09 0.05 -0.04 3.95 4.11 3n29A1 SER 143 HB3 0.08 0.03 0.10 -0.04 3.93 4.10 3n29A1 ARG 144 H 0.09 0.10 0.20 -0.55 8.46 8.29 3n29A1 ARG 144 HA 0.09 0.19 0.63 -0.75 4.34 4.49 3n29A1 ARG 144 HB2 0.06 -0.01 0.16 -0.04 1.90 2.07 3n29A1 ARG 144 HB3 0.07 0.05 0.12 -0.04 1.80 2.00 3n29A1 ARG 144 HG2 0.08 -0.05 -0.01 -0.04 1.67 1.65 3n29A1 ARG 144 HG3 0.08 -0.04 -0.17 -0.04 1.67 1.49 3n29A1 ARG 144 HD2 0.04 0.01 0.02 -0.04 3.22 3.24 3n29A1 ARG 144 HD3 0.05 0.03 0.03 -0.04 3.22 3.29 3n29A1 LEU 145 H 0.10 0.04 -0.26 -0.55 8.37 7.71 3n29A1 LEU 145 HA 0.17 0.07 0.69 -0.75 4.35 4.52 3n29A1 LEU 145 HB2 0.11 0.02 0.08 -0.04 1.64 1.81 3n29A1 LEU 145 HB3 0.14 -0.02 -0.04 -0.04 1.64 1.68 3n29A1 LEU 145 HG 0.11 -0.09 -0.04 -0.04 1.64 1.57 3n29A1 LEU 145 HD13 0.12 0.01 -0.02 -0.04 0.93 0.99 3n29A1 LEU 145 HD23 0.18 0.02 -0.10 -0.04 0.89 0.95 3n29A1 GLY 146 H 0.19 0.07 0.15 -0.55 8.43 8.29 3n29A1 GLY 146 HA2 0.18 0.09 0.22 -0.51 4.01 3.99 3n29A1 GLY 146 HA3 0.15 0.02 0.03 -0.51 4.01 3.70 3n29A1 ILE 147 H 0.25 0.63 0.33 -0.55 8.25 8.91 3n29A1 ILE 147 HA 0.18 0.07 0.72 -0.75 4.18 4.40 3n29A1 ILE 147 HB 0.46 0.06 0.11 -0.04 1.89 2.48 3n29A1 ILE 147 HG12 0.07 -0.14 0.02 -0.04 1.49 1.41 3n29A1 ILE 147 HG13 0.16 0.14 -0.14 -0.04 1.21 1.32 3n29A1 ILE 147 HG23 0.08 0.04 -0.10 -0.04 0.93 0.91 3n29A1 ILE 147 HD13 -0.03 -0.02 -0.20 -0.04 0.88 0.59 3n29A1 ARG 148 H 0.19 0.12 0.18 -0.55 8.46 8.40 3n29A1 ARG 148 HA 0.30 0.26 0.59 -0.75 4.34 4.74 3n29A1 ARG 148 HB2 0.12 -0.04 0.14 -0.04 1.90 2.07 3n29A1 ARG 148 HB3 0.10 -0.03 0.14 -0.04 1.80 1.96 3n29A1 ARG 148 HG2 0.14 0.08 0.01 -0.04 1.67 1.87 3n29A1 ARG 148 HG3 0.14 0.05 0.02 -0.04 1.67 1.84 3n29A1 ARG 148 HD2 0.08 -0.01 0.03 -0.04 3.22 3.28 3n29A1 ARG 148 HD3 0.09 0.03 0.02 -0.04 3.22 3.31 3n29A1 ALA 149 H -0.09 0.23 0.16 -0.55 8.40 8.16 3n29A1 ALA 149 HA -0.45 0.10 0.24 -0.75 4.34 3.47 3n29A1 ALA 149 HB3 -0.82 0.07 0.08 -0.04 1.41 0.69 3n29A1 LYS 150 H 0.02 0.06 -0.20 -0.55 8.42 7.74 3n29A1 LYS 150 HA 0.11 0.11 0.36 -0.75 4.32 4.14 3n29A1 LYS 150 HB2 0.05 0.04 0.08 -0.04 1.87 2.01 3n29A1 LYS 150 HB3 0.04 0.01 0.10 -0.04 1.79 1.89 3n29A1 LYS 150 HG2 0.06 -0.13 -0.04 -0.04 1.46 1.31 3n29A1 LYS 150 HG3 0.06 0.06 -0.21 -0.04 1.46 1.33 3n29A1 LYS 150 HD2 0.04 0.03 -0.01 -0.04 1.69 1.71 3n29A1 LYS 150 HD3 0.04 -0.01 0.01 -0.04 1.68 1.68 3n29A1 LYS 150 HE2 0.05 -0.02 0.00 -0.04 2.99 2.99 3n29A1 LYS 150 HE3 0.05 0.01 -0.03 -0.04 2.99 2.97 3n29A1 ASP 151 H 0.12 0.32 -0.37 -0.55 8.40 7.93 3n29A1 ASP 151 HA 0.03 0.16 0.62 -0.75 4.63 4.69 3n29A1 ASP 151 HB2 0.10 0.11 0.09 -0.04 2.71 2.98 3n29A1 ASP 151 HB3 -0.00 -0.04 0.13 -0.04 2.70 2.75 3n29A1 PHE 152 H 0.16 0.47 -0.34 -0.55 8.34 8.07 3n29A1 PHE 152 HA -0.37 0.07 0.64 -0.75 4.62 4.20 3n29A1 PHE 152 HB2 -1.28 0.23 0.12 -0.04 3.15 2.17 3n29A1 PHE 152 HB3 -2.40 -0.04 0.02 -0.04 3.06 0.59 3n29A1 PHE 152 HD2 -0.56 0.04 -0.11 -0.04 7.28 6.61 3n29A1 PHE 152 HE2 0.03 0.01 -0.14 -0.04 7.38 7.25 3n29A1 PHE 152 HZ 0.03 -0.03 -0.18 -0.04 7.32 7.10 3n29A1 GLU 153 H 0.08 0.29 -0.37 -0.55 8.60 8.06 3n29A1 GLU 153 HA 0.41 -0.02 0.19 -0.75 4.29 4.12 3n29A1 GLU 153 HB2 0.12 0.13 0.17 -0.04 2.09 2.48 3n29A1 GLU 153 HB3 0.16 -0.03 0.06 -0.04 1.99 2.13 3n29A1 GLU 153 HG2 0.38 0.03 0.05 -0.04 2.34 2.77 3n29A1 GLU 153 HG3 0.18 -0.03 0.08 -0.04 2.34 2.52 3n29A1 ASN 154 H 0.22 0.12 0.19 -0.55 8.53 8.52 3n29A1 ASN 154 HA 0.10 -0.00 0.30 -0.75 4.76 4.41 3n29A1 ASN 154 HB2 0.06 0.20 -0.37 -0.04 2.88 2.73 3n29A1 ASN 154 HB3 0.05 -0.04 0.15 -0.04 2.79 2.90 3n29A1 ASN 154 HD21 0.06 -0.01 -0.05 -0.04 7.03 6.99 3n29A1 ASN 154 HD22 0.06 0.05 -0.17 -0.04 7.74 7.64 3n29A1 VAL 155 H -0.01 0.43 -0.31 -0.55 8.24 7.79 3n29A1 VAL 155 HA 0.01 0.08 0.83 -0.75 4.13 4.30 3n29A1 VAL 155 HB -0.22 0.07 0.01 -0.04 2.12 1.94 3n29A1 VAL 155 HG13 -0.03 -0.03 -0.16 -0.04 0.97 0.71 3n29A1 VAL 155 HG23 -0.08 0.04 -0.13 -0.04 0.95 0.73 3n29A1 ASP 156 H 0.04 0.15 0.09 -0.55 8.40 8.14 3n29A1 ASP 156 HA 0.06 0.06 0.62 -0.75 4.63 4.62 3n29A1 ASP 156 HB2 0.03 0.06 0.14 -0.04 2.71 2.89 3n29A1 ASP 156 HB3 0.06 -0.00 0.20 -0.04 2.70 2.92 3n29A1 LEU 157 H 0.06 0.23 0.17 -0.55 8.37 8.29 3n29A1 LEU 157 HA 0.03 0.13 0.72 -0.75 4.35 4.47 3n29A1 LEU 157 HB2 0.05 0.06 0.08 -0.04 1.64 1.78 3n29A1 LEU 157 HB3 -0.01 0.05 0.14 -0.04 1.64 1.78 3n29A1 LEU 157 HG -0.09 0.16 -0.27 -0.04 1.64 1.40 3n29A1 LEU 157 HD13 -0.16 0.01 -0.01 -0.04 0.93 0.73 3n29A1 LEU 157 HD23 -0.23 0.00 -0.12 -0.04 0.89 0.50 3n29A1 ASN 158 H 0.08 0.04 -0.15 -0.55 8.53 7.94 3n29A1 ASN 158 HA 0.05 0.15 0.33 -0.75 4.76 4.54 3n29A1 ASN 158 HB2 0.07 -0.07 0.05 -0.04 2.88 2.89 3n29A1 ASN 158 HB3 0.06 0.07 -0.06 -0.04 2.79 2.82 3n29A1 ASN 158 HD21 0.04 0.00 0.02 -0.04 7.03 7.05 3n29A1 ASN 158 HD22 0.04 0.01 0.00 -0.04 7.74 7.75 3n29A1 ALA 159 H 0.14 0.02 -0.31 -0.55 8.40 7.71 3n29A1 ALA 159 HA 0.09 0.16 0.48 -0.75 4.34 4.32 3n29A1 ALA 159 HB3 0.28 -0.01 0.02 -0.04 1.41 1.66 3n29A1 ILE 160 H -0.01 0.46 -0.45 -0.55 8.25 7.70 3n29A1 ILE 160 HA -0.15 0.07 0.65 -0.75 4.18 4.00 3n29A1 ILE 160 HB -0.12 0.15 0.14 -0.04 1.89 2.02 3n29A1 ILE 160 HG12 -0.34 -0.10 -0.10 -0.04 1.49 0.90 3n29A1 ILE 160 HG13 -0.41 -0.03 -0.06 -0.04 1.21 0.66 3n29A1 ILE 160 HG23 -0.19 -0.04 -0.13 -0.04 0.93 0.53 3n29A1 ILE 160 HD13 -1.14 -0.01 -0.23 -0.04 0.88 -0.54 3n29A1 GLU 161 H -0.17 0.62 0.45 -0.55 8.60 8.95 3n29A1 GLU 161 HA -0.15 0.28 1.00 -0.75 4.29 4.66 3n29A1 GLU 161 HB2 0.02 -0.06 0.15 -0.04 2.09 2.16 3n29A1 GLU 161 HB3 -0.04 -0.09 0.13 -0.04 1.99 1.95 3n29A1 GLU 161 HG2 0.02 0.06 0.05 -0.04 2.34 2.43 3n29A1 GLU 161 HG3 0.01 0.07 -0.17 -0.04 2.34 2.21 3n29A1 GLY 162 H -0.66 0.31 0.34 -0.55 8.43 7.88 3n29A1 GLY 162 HA2 -1.02 0.38 0.96 -0.51 4.01 3.83 3n29A1 GLY 162 HA3 -3.38 -0.06 0.27 -0.51 4.01 0.34 3n29A1 LEU 163 H -0.24 0.48 0.37 -0.55 8.37 8.43 3n29A1 LEU 163 HA 0.01 0.21 1.00 -0.75 4.35 4.82 3n29A1 LEU 163 HB2 0.24 0.00 0.08 -0.04 1.64 1.93 3n29A1 LEU 163 HB3 0.23 -0.02 0.02 -0.04 1.64 1.83 3n29A1 LEU 163 HG 0.04 0.02 -0.28 -0.04 1.64 1.38 3n29A1 LEU 163 HD13 0.16 0.00 -0.16 -0.04 0.93 0.89 3n29A1 LEU 163 HD23 0.22 0.00 -0.01 -0.04 0.89 1.06 3n29A1 HIS 164 H 0.17 0.64 0.33 -0.55 8.41 9.01 3n29A1 HIS 164 HA 0.01 0.23 1.02 -0.75 4.63 5.13 3n29A1 HIS 164 HB2 0.22 0.00 -0.29 -0.04 3.26 3.16 3n29A1 HIS 164 HB3 0.06 -0.03 -0.19 -0.04 3.20 2.99 3n29A1 HIS 164 HD2 0.05 -0.00 -0.16 -0.04 6.97 6.81 3n29A1 HIS 164 HE1 -0.24 -0.06 -0.32 -0.04 7.75 7.08 3n29A1 PHE 165 H -0.78 0.68 0.32 -0.55 8.34 8.01 3n29A1 PHE 165 HA -0.15 0.14 0.34 -0.75 4.62 4.19 3n29A1 PHE 165 HB2 -0.23 -0.04 0.05 -0.04 3.15 2.89 3n29A1 PHE 165 HB3 -0.42 0.08 0.09 -0.04 3.06 2.76 3n29A1 PHE 165 HD2 -0.81 -0.05 -0.27 -0.04 7.28 6.11 3n29A1 PHE 165 HE2 -0.67 0.01 -0.11 -0.04 7.38 6.56 3n29A1 PHE 165 HZ -0.97 0.00 -0.08 -0.04 7.32 6.23 3n29A1 HIS 166 H 0.12 0.32 -0.01 -0.55 8.41 8.30 3n29A1 HIS 166 HA -0.06 0.10 0.41 -0.75 4.63 4.32 3n29A1 HIS 166 HB2 -0.10 0.02 0.02 -0.04 3.26 3.17 3n29A1 HIS 166 HB3 0.01 0.04 0.01 -0.04 3.20 3.21 3n29A1 HIS 166 HD2 0.02 0.05 -0.12 -0.04 6.97 6.87 3n29A1 HIS 166 HE1 -0.08 -0.17 -0.20 -0.04 7.75 7.26 3n29A1 ALA 167 H -0.20 0.17 0.08 -0.55 8.40 7.90 3n29A1 ALA 167 HA -0.09 0.23 0.81 -0.75 4.34 4.53 3n29A1 ALA 167 HB3 0.01 0.01 -0.08 -0.04 1.41 1.31 3n29A1 LEU 168 H -0.55 0.12 0.08 -0.55 8.37 7.48 3n29A1 LEU 168 HA -0.13 0.28 0.98 -0.75 4.35 4.72 3n29A1 LEU 168 HB2 -0.27 0.11 -0.04 -0.04 1.64 1.40 3n29A1 LEU 168 HB3 -0.12 -0.03 -0.12 -0.04 1.64 1.33 3n29A1 LEU 168 HG -0.01 -0.09 -0.40 -0.04 1.64 1.10 3n29A1 LEU 168 HD13 0.12 0.00 -0.25 -0.04 0.93 0.76 3n29A1 LEU 168 HD23 -0.00 0.08 -0.19 -0.04 0.89 0.73 3n29A1 CYS 169 H -0.12 0.30 0.06 -0.55 8.50 8.20 3n29A1 CYS 169 HA -0.14 -0.06 0.81 -0.75 4.58 4.44 3n29A1 CYS 169 HB2 -0.09 0.07 -0.21 -0.04 2.97 2.71 3n29A1 CYS 169 HB3 -0.09 0.08 0.03 -0.04 2.97 2.94 3n29A1 GLU 170 H -0.25 -0.02 0.12 -0.55 8.60 7.90 3n29A1 GLU 170 HA -0.67 -0.10 0.27 -0.75 4.29 3.03 3n29A1 GLU 170 HB2 -0.20 0.18 -0.01 -0.04 2.09 2.03 3n29A1 GLU 170 HB3 -0.42 0.01 0.18 -0.04 1.99 1.72 3n29A1 GLU 170 HG2 -0.58 -0.09 0.01 -0.04 2.34 1.64 3n29A1 GLU 170 HG3 -0.26 -0.06 -0.11 -0.04 2.34 1.87 3n29A1 GLU 171 H -0.10 0.60 0.06 -0.55 8.60 8.62 3n29A1 GLU 171 HA 0.01 0.28 0.96 -0.75 4.29 4.79 3n29A1 GLU 171 HB2 -0.04 -0.03 -0.08 -0.04 2.09 1.89 3n29A1 GLU 171 HB3 0.02 -0.05 0.00 -0.04 1.99 1.92 3n29A1 GLU 171 HG2 -0.06 0.27 -0.15 -0.04 2.34 2.36 3n29A1 GLU 171 HG3 -0.04 0.02 -0.00 -0.04 2.34 2.28 3n29A1 SER 172 H 0.03 0.14 0.17 -0.55 8.46 8.25 3n29A1 SER 172 HA 0.01 0.17 0.45 -0.75 4.49 4.36 3n29A1 SER 172 HB2 -0.16 -0.09 0.16 -0.04 3.95 3.82 3n29A1 SER 172 HB3 -0.04 0.19 0.11 -0.04 3.93 4.15 3n29A1 ALA 173 H -0.59 0.15 0.18 -0.55 8.40 7.60 3n29A1 ALA 173 HA 0.01 0.13 0.41 -0.75 4.34 4.15 3n29A1 ALA 173 HB3 -0.29 0.04 0.08 -0.04 1.41 1.20 3n29A1 ASP 174 H -0.12 0.07 -0.04 -0.55 8.40 7.76 3n29A1 ASP 174 HA -0.03 0.13 0.49 -0.75 4.63 4.46 3n29A1 ASP 174 HB2 -0.04 -0.04 0.04 -0.04 2.71 2.62 3n29A1 ASP 174 HB3 -0.02 0.09 -0.01 -0.04 2.70 2.73 3n29A1 ALA 175 H -0.01 0.02 -0.37 -0.55 8.40 7.50 3n29A1 ALA 175 HA 0.05 0.12 0.52 -0.75 4.34 4.27 3n29A1 ALA 175 HB3 0.02 0.04 0.04 -0.04 1.41 1.47 3n29A1 LEU 176 H 0.07 0.35 -0.13 -0.55 8.37 8.11 3n29A1 LEU 176 HA 0.05 0.03 0.45 -0.75 4.35 4.13 3n29A1 LEU 176 HB2 0.20 -0.02 0.00 -0.04 1.64 1.78 3n29A1 LEU 176 HB3 0.07 0.05 0.11 -0.04 1.64 1.83 3n29A1 LEU 176 HG -0.06 0.03 -0.33 -0.04 1.64 1.25 3n29A1 LEU 176 HD13 -0.04 -0.00 -0.02 -0.04 0.93 0.83 3n29A1 LEU 176 HD23 -0.02 -0.00 -0.07 -0.04 0.89 0.76 3n29A1 GLU 177 H -0.00 0.57 -0.12 -0.55 8.60 8.50 3n29A1 GLU 177 HA -0.02 0.04 0.47 -0.75 4.29 4.02 3n29A1 GLU 177 HB2 -0.00 -0.01 0.08 -0.04 2.09 2.13 3n29A1 GLU 177 HB3 -0.01 0.09 0.18 -0.04 1.99 2.21 3n29A1 GLU 177 HG2 -0.01 0.03 -0.18 -0.04 2.34 2.13 3n29A1 GLU 177 HG3 0.00 -0.01 0.00 -0.04 2.34 2.30 3n29A1 ALA 178 H 0.01 0.45 -0.17 -0.55 8.40 8.14 3n29A1 ALA 178 HA -0.06 0.02 0.31 -0.75 4.34 3.86 3n29A1 ALA 178 HB3 0.16 0.02 0.11 -0.04 1.41 1.65 3n29A1 VAL 179 H -0.04 0.48 -0.19 -0.55 8.24 7.94 3n29A1 VAL 179 HA -0.32 0.01 0.39 -0.75 4.13 3.46 3n29A1 VAL 179 HB -0.16 0.08 0.10 -0.04 2.12 2.10 3n29A1 VAL 179 HG13 -0.61 -0.03 -0.12 -0.04 0.97 0.17 3n29A1 VAL 179 HG23 0.09 0.02 -0.06 -0.04 0.95 0.96 3n29A1 LEU 180 H -0.17 0.70 -0.09 -0.55 8.37 8.27 3n29A1 LEU 180 HA -0.18 -0.03 0.29 -0.75 4.35 3.68 3n29A1 LEU 180 HB2 -0.05 0.10 0.14 -0.04 1.64 1.78 3n29A1 LEU 180 HB3 0.07 -0.01 -0.06 -0.04 1.64 1.60 3n29A1 LEU 180 HG -0.32 0.04 -0.02 -0.04 1.64 1.29 3n29A1 LEU 180 HD13 -0.16 -0.01 -0.13 -0.04 0.93 0.59 3n29A1 LEU 180 HD23 -0.80 -0.01 -0.07 -0.04 0.89 -0.04 3n29A1 LYS 181 H -0.09 0.61 -0.14 -0.55 8.42 8.24 3n29A1 LYS 181 HA -0.01 0.03 0.46 -0.75 4.32 4.04 3n29A1 LYS 181 HB2 -0.14 0.14 0.12 -0.04 1.87 1.95 3n29A1 LYS 181 HB3 -0.08 -0.04 0.01 -0.04 1.79 1.64 3n29A1 LYS 181 HG2 -0.01 -0.03 0.01 -0.04 1.46 1.39 3n29A1 LYS 181 HG3 -0.04 0.24 0.01 -0.04 1.46 1.63 3n29A1 LYS 181 HD2 -0.04 -0.01 -0.03 -0.04 1.69 1.56 3n29A1 LYS 181 HD3 -0.03 -0.01 -0.02 -0.04 1.68 1.59 3n29A1 LYS 181 HE2 -0.00 0.00 -0.05 -0.04 2.99 2.90 3n29A1 LYS 181 HE3 -0.01 -0.05 -0.15 -0.04 2.99 2.73 3n29A1 VAL 182 H -0.28 0.38 -0.23 -0.55 8.24 7.57 3n29A1 VAL 182 HA -0.16 0.03 0.51 -0.75 4.13 3.76 3n29A1 VAL 182 HB -0.42 0.04 0.13 -0.04 2.12 1.84 3n29A1 VAL 182 HG13 -0.11 0.00 -0.04 -0.04 0.97 0.79 3n29A1 VAL 182 HG23 -0.90 0.04 0.05 -0.04 0.95 0.09 3n29A1 PHE 183 H -0.06 0.73 0.02 -0.55 8.34 8.48 3n29A1 PHE 183 HA 0.06 -0.00 0.43 -0.75 4.62 4.35 3n29A1 PHE 183 HB2 -0.56 -0.03 0.02 -0.04 3.15 2.55 3n29A1 PHE 183 HB3 -0.27 0.08 0.11 -0.04 3.06 2.94 3n29A1 PHE 183 HD2 -0.20 0.01 -0.12 -0.04 7.28 6.93 3n29A1 PHE 183 HE2 -0.07 0.02 -0.16 -0.04 7.38 7.13 3n29A1 PHE 183 HZ 0.07 0.02 -0.17 -0.04 7.32 7.20 3n29A1 GLU 184 H 0.08 0.74 -0.12 -0.55 8.60 8.76 3n29A1 GLU 184 HA -0.18 0.01 0.51 -0.75 4.29 3.87 3n29A1 GLU 184 HB2 0.07 0.09 0.09 -0.04 2.09 2.29 3n29A1 GLU 184 HB3 0.10 -0.03 0.02 -0.04 1.99 2.04 3n29A1 GLU 184 HG2 0.33 -0.03 -0.03 -0.04 2.34 2.56 3n29A1 GLU 184 HG3 0.34 0.17 0.04 -0.04 2.34 2.86 3n29A1 GLU 185 H -0.04 0.43 -0.22 -0.55 8.60 8.22 3n29A1 GLU 185 HA -0.07 0.02 0.43 -0.75 4.29 3.91 3n29A1 GLU 185 HB2 -0.06 0.16 0.20 -0.04 2.09 2.34 3n29A1 GLU 185 HB3 -0.07 0.04 0.20 -0.04 1.99 2.12 3n29A1 GLU 185 HG2 -0.07 -0.02 0.06 -0.04 2.34 2.27 3n29A1 GLU 185 HG3 -0.06 -0.03 0.05 -0.04 2.34 2.26 3n29A1 LYS 186 H -0.04 0.55 -0.08 -0.55 8.42 8.30 3n29A1 LYS 186 HA -0.18 0.10 0.50 -0.75 4.32 3.99 3n29A1 LYS 186 HB2 0.03 0.12 0.13 -0.04 1.87 2.11 3n29A1 LYS 186 HB3 -0.50 -0.13 0.02 -0.04 1.79 1.13 3n29A1 LYS 186 HG2 -0.11 -0.07 0.04 -0.04 1.46 1.28 3n29A1 LYS 186 HG3 -0.06 0.00 0.04 -0.04 1.46 1.40 3n29A1 LYS 186 HD2 0.06 0.13 0.06 -0.04 1.69 1.89 3n29A1 LYS 186 HD3 0.02 -0.10 0.05 -0.04 1.68 1.61 3n29A1 LYS 186 HE2 0.02 -0.12 0.05 -0.04 2.99 2.89 3n29A1 LYS 186 HE3 -0.01 -0.06 0.04 -0.04 2.99 2.92 3n29A1 PHE 187 H -0.05 0.63 -0.01 -0.55 8.34 8.35 3n29A1 PHE 187 HA 0.12 0.16 0.89 -0.75 4.62 5.04 3n29A1 PHE 187 HB2 -0.82 0.17 0.01 -0.04 3.15 2.48 3n29A1 PHE 187 HB3 -0.23 -0.05 0.05 -0.04 3.06 2.79 3n29A1 PHE 187 HD2 -0.46 0.08 -0.01 -0.04 7.28 6.84 3n29A1 PHE 187 HE2 -0.14 0.07 -0.16 -0.04 7.38 7.12 3n29A1 PHE 187 HZ 0.07 0.11 0.01 -0.04 7.32 7.47 3n29A1 GLY 188 H -0.20 0.32 -0.18 -0.55 8.43 7.82 3n29A1 GLY 188 HA2 -0.23 -0.03 0.40 -0.51 4.01 3.64 3n29A1 GLY 188 HA3 -0.16 0.26 0.35 -0.51 4.01 3.95 3n29A1 LYS 189 H -0.53 0.15 -0.31 -0.55 8.42 7.18 3n29A1 LYS 189 HA -0.28 0.09 0.31 -0.75 4.32 3.69 3n29A1 LYS 189 HB2 -0.44 0.00 0.09 -0.04 1.87 1.49 3n29A1 LYS 189 HB3 -0.57 0.00 0.05 -0.04 1.79 1.24 3n29A1 LYS 189 HG2 -2.58 0.01 -0.12 -0.04 1.46 -1.27 3n29A1 LYS 189 HG3 -1.32 0.01 -0.19 -0.04 1.46 -0.08 3n29A1 LYS 189 HD2 -0.62 0.01 -0.02 -0.04 1.69 1.02 3n29A1 LYS 189 HD3 -1.13 0.00 -0.05 -0.04 1.68 0.47 3n29A1 LYS 189 HE2 -0.25 0.01 -0.03 -0.04 2.99 2.68 3n29A1 LYS 189 HE3 -0.25 -0.00 -0.00 -0.04 2.99 2.70 3n29A1 TRP 190 H -0.18 0.53 -0.29 -0.55 7.97 7.48 3n29A1 TRP 190 HA 0.01 0.20 0.93 -0.75 4.62 5.00 3n29A1 TRP 190 HB2 -0.02 0.08 0.01 -0.04 3.23 3.26 3n29A1 TRP 190 HB3 0.09 -0.01 0.08 -0.04 3.23 3.35 3n29A1 TRP 190 HD1 0.08 0.03 -0.05 -0.04 7.22 7.24 3n29A1 TRP 190 HE1 0.08 -0.05 -0.05 -0.04 10.20 10.13 3n29A1 TRP 190 HE3 -0.19 0.08 0.08 -0.04 7.59 7.52 3n29A1 TRP 190 HZ2 0.06 -0.09 -0.19 -0.04 7.44 7.17 3n29A1 TRP 190 HZ3 -0.47 0.06 0.13 -0.04 7.13 6.81 3n29A1 TRP 190 HH2 -0.06 0.04 -0.02 -0.04 7.19 7.10 3n29A1 ILE 191 H -0.10 0.41 -0.12 -0.55 8.25 7.89 3n29A1 ILE 191 HA -0.01 0.05 0.33 -0.75 4.18 3.80 3n29A1 ILE 191 HB -0.74 0.11 0.10 -0.04 1.89 1.32 3n29A1 ILE 191 HG12 -0.16 -0.06 -0.16 -0.04 1.49 1.07 3n29A1 ILE 191 HG13 -0.25 0.17 -0.22 -0.04 1.21 0.86 3n29A1 ILE 191 HG23 -0.62 -0.00 -0.15 -0.04 0.93 0.12 3n29A1 ILE 191 HD13 -0.57 -0.01 -0.18 -0.04 0.88 0.08 3n29A1 GLY 192 H 0.02 0.11 -0.12 -0.55 8.43 7.89 3n29A1 GLY 192 HA2 0.17 0.21 0.26 -0.51 4.01 4.14 3n29A1 GLY 192 HA3 0.11 -0.03 0.28 -0.51 4.01 3.86 3n29A1 GLN 193 H 0.08 0.06 -0.60 -0.55 8.47 7.47 3n29A1 GLN 193 HA 0.06 0.13 0.53 -0.75 4.36 4.33 3n29A1 GLN 193 HB2 0.07 -0.03 0.10 -0.04 2.15 2.25 3n29A1 GLN 193 HB3 0.09 -0.09 0.00 -0.04 2.02 1.99 3n29A1 GLN 193 HG2 0.13 0.26 -0.08 -0.04 2.40 2.67 3n29A1 GLN 193 HG3 0.09 0.04 -0.18 -0.04 2.39 2.30 3n29A1 GLN 193 HE21 0.22 -0.11 0.01 -0.04 6.97 7.04 3n29A1 GLN 193 HE22 0.12 0.10 -0.04 -0.04 7.69 7.82 3n29A1 MET 194 H 0.05 0.41 -0.35 -0.55 8.47 8.03 3n29A1 MET 194 HA -0.06 0.08 0.54 -0.75 4.52 4.32 3n29A1 MET 194 HB2 0.01 0.13 0.02 -0.04 2.15 2.27 3n29A1 MET 194 HB3 -0.18 -0.00 0.06 -0.04 2.03 1.87 3n29A1 MET 194 HG2 0.04 0.16 -0.02 -0.04 2.63 2.77 3n29A1 MET 194 HG3 -0.01 -0.17 -0.11 -0.04 2.56 2.22 3n29A1 MET 194 HE3 0.06 -0.02 -0.11 -0.04 2.10 1.98 3n29A1 LYS 195 H -0.13 0.50 0.43 -0.55 8.42 8.67 3n29A1 LYS 195 HA 0.12 0.25 0.93 -0.75 4.32 4.86 3n29A1 LYS 195 HB2 0.16 -0.01 0.21 -0.04 1.87 2.20 3n29A1 LYS 195 HB3 0.26 -0.08 0.14 -0.04 1.79 2.07 3n29A1 LYS 195 HG2 0.08 0.10 0.00 -0.04 1.46 1.60 3n29A1 LYS 195 HG3 0.04 0.02 0.15 -0.04 1.46 1.62 3n29A1 LYS 195 HD2 0.13 -0.04 0.05 -0.04 1.69 1.79 3n29A1 LYS 195 HD3 0.15 -0.04 0.06 -0.04 1.68 1.81 3n29A1 LYS 195 HE2 0.08 0.02 0.03 -0.04 2.99 3.07 3n29A1 LYS 195 HE3 0.07 0.05 0.03 -0.04 2.99 3.09 3n29A1 TRP 196 H -0.24 0.41 0.35 -0.55 7.97 7.94 3n29A1 TRP 196 HA 0.20 0.16 0.82 -0.75 4.62 5.04 3n29A1 TRP 196 HB2 0.43 -0.00 -0.01 -0.04 3.23 3.61 3n29A1 TRP 196 HB3 0.37 0.03 -0.05 -0.04 3.23 3.54 3n29A1 TRP 196 HD1 0.09 0.04 -0.17 -0.04 7.22 7.14 3n29A1 TRP 196 HE1 -0.38 -0.00 -0.20 -0.04 10.20 9.57 3n29A1 TRP 196 HE3 0.14 0.03 -0.48 -0.04 7.59 7.24 3n29A1 TRP 196 HZ2 -0.42 0.09 -0.53 -0.04 7.44 6.54 3n29A1 TRP 196 HZ3 0.11 -0.06 -0.35 -0.04 7.13 6.78 3n29A1 TRP 196 HH2 -0.04 -0.07 -0.32 -0.04 7.19 6.73 3n29A1 VAL 197 H 0.46 0.65 0.30 -0.55 8.24 9.09 3n29A1 VAL 197 HA 0.31 0.27 0.85 -0.75 4.13 4.81 3n29A1 VAL 197 HB 0.38 -0.01 -0.03 -0.04 2.12 2.42 3n29A1 VAL 197 HG13 0.32 -0.03 -0.21 -0.04 0.97 1.01 3n29A1 VAL 197 HG23 0.41 -0.00 -0.23 -0.04 0.95 1.09 3n29A1 ASN 198 H 0.23 0.67 0.37 -0.55 8.53 9.25 3n29A1 ASN 198 HA 0.03 0.16 0.95 -0.75 4.76 5.15 3n29A1 ASN 198 HB2 0.36 0.07 -0.11 -0.04 2.88 3.16 3n29A1 ASN 198 HB3 0.25 -0.06 0.16 -0.04 2.79 3.10 3n29A1 ASN 198 HD21 -0.04 -0.04 -0.22 -0.04 7.03 6.69 3n29A1 ASN 198 HD22 -0.06 0.07 -0.19 -0.04 7.74 7.52 3n29A1 PHE 199 H -0.19 0.74 0.32 -0.55 8.34 8.66 3n29A1 PHE 199 HA -1.75 0.07 0.53 -0.75 4.62 2.72 3n29A1 PHE 199 HB2 -0.26 0.06 0.11 -0.04 3.15 3.01 3n29A1 PHE 199 HB3 -0.27 -0.09 0.13 -0.04 3.06 2.79 3n29A1 PHE 199 HD2 -0.40 -0.06 -0.25 -0.04 7.28 6.52 3n29A1 PHE 199 HE2 -0.42 0.01 -0.16 -0.04 7.38 6.77 3n29A1 PHE 199 HZ -0.83 0.06 -0.09 -0.04 7.32 6.42 3n29A1 GLY 200 H -0.27 -0.04 -0.37 -0.55 8.43 7.20 3n29A1 GLY 200 HA2 -0.09 -0.03 0.22 -0.51 4.01 3.60 3n29A1 GLY 200 HA3 -0.08 0.10 0.42 -0.51 4.01 3.94 3n29A1 GLY 201 H 0.71 0.08 0.15 -0.55 8.43 8.83 3n29A1 GLY 201 HA2 0.01 0.11 0.69 -0.51 4.01 4.32 3n29A1 GLY 201 HA3 0.06 0.04 0.34 -0.51 4.01 3.94 3n29A1 GLY 202 H -0.06 -0.01 0.18 -0.55 8.43 7.99 3n29A1 GLY 202 HA2 -0.15 -0.12 0.33 -0.51 4.01 3.56 3n29A1 GLY 202 HA3 -0.25 0.34 0.38 -0.51 4.01 3.97 3n29A1 HIS 203 H -0.39 0.07 -0.24 -0.55 8.41 7.31 3n29A1 HIS 203 HA 0.07 0.24 0.45 -0.75 4.63 4.63 3n29A1 HIS 203 HB2 -0.09 -0.07 0.07 -0.04 3.26 3.13 3n29A1 HIS 203 HB3 0.00 0.06 -0.07 -0.04 3.20 3.14 3n29A1 HIS 203 HD2 -0.00 -0.11 -0.02 -0.04 6.97 6.80 3n29A1 HIS 203 HE1 0.07 0.03 -0.11 -0.04 7.75 7.69 3n29A1 HIS 204 H 0.16 0.79 0.13 -0.55 8.41 8.95 3n29A1 HIS 204 HA -0.31 -0.02 0.30 -0.75 4.63 3.84 3n29A1 HIS 204 HB2 -0.11 0.09 -0.13 -0.04 3.26 3.07 3n29A1 HIS 204 HB3 -0.09 0.03 0.07 -0.04 3.20 3.18 3n29A1 HIS 204 HD2 -0.60 -0.08 -0.09 -0.04 6.97 6.15 3n29A1 HIS 204 HE1 -0.70 0.08 -0.01 -0.04 7.75 7.08 3n29A1 ILE 205 H -0.32 0.46 -0.23 -0.55 8.25 7.62 3n29A1 ILE 205 HA -1.62 0.01 0.07 -0.75 4.18 1.88 3n29A1 ILE 205 HB -0.25 -0.01 0.00 -0.04 1.89 1.59 3n29A1 ILE 205 HG12 -0.52 -0.00 -0.11 -0.04 1.49 0.82 3n29A1 ILE 205 HG13 -0.37 -0.13 -0.24 -0.04 1.21 0.43 3n29A1 ILE 205 HG23 -0.20 0.02 -0.17 -0.04 0.93 0.54 3n29A1 ILE 205 HD13 -0.10 0.02 -0.05 -0.04 0.88 0.71 3n29A1 THR 206 H -0.26 -0.04 -0.26 -0.55 8.28 7.16 3n29A1 THR 206 HA -0.10 0.24 0.64 -0.75 4.39 4.41 3n29A1 THR 206 HB 0.04 0.05 0.14 -0.04 4.32 4.52 3n29A1 THR 206 HG23 -0.08 -0.01 -0.03 -0.04 1.22 1.06 3n29A1 LYS 207 H -0.48 0.26 -0.33 -0.55 8.42 7.32 3n29A1 LYS 207 HA -0.28 0.07 0.58 -0.75 4.32 3.93 3n29A1 LYS 207 HB2 -1.97 -0.12 0.02 -0.04 1.87 -0.24 3n29A1 LYS 207 HB3 -0.65 0.08 0.03 -0.04 1.79 1.21 3n29A1 LYS 207 HG2 -0.24 0.22 -0.13 -0.04 1.46 1.28 3n29A1 LYS 207 HG3 -0.17 -0.08 0.08 -0.04 1.46 1.24 3n29A1 LYS 207 HD2 -0.82 -0.05 -0.00 -0.04 1.69 0.78 3n29A1 LYS 207 HD3 -0.88 -0.04 -0.03 -0.04 1.68 0.69 3n29A1 LYS 207 HE2 0.01 -0.00 0.00 -0.04 2.99 2.96 3n29A1 LYS 207 HE3 -0.07 0.01 -0.02 -0.04 2.99 2.88 3n29A1 LYS 208 H 0.07 0.09 0.16 -0.55 8.42 8.18 3n29A1 LYS 208 HA 0.02 0.06 0.39 -0.75 4.32 4.04 3n29A1 LYS 208 HB2 0.04 0.02 0.08 -0.04 1.87 1.97 3n29A1 LYS 208 HB3 0.07 0.05 0.14 -0.04 1.79 2.00 3n29A1 LYS 208 HG2 0.11 -0.05 0.13 -0.04 1.46 1.61 3n29A1 LYS 208 HG3 0.04 0.01 -0.00 -0.04 1.46 1.47 3n29A1 LYS 208 HD2 0.05 0.02 0.00 -0.04 1.69 1.71 3n29A1 LYS 208 HD3 0.07 0.02 0.04 -0.04 1.68 1.76 3n29A1 LYS 208 HE2 0.07 0.00 0.01 -0.04 2.99 3.03 3n29A1 LYS 208 HE3 0.06 0.02 0.02 -0.04 2.99 3.04 3n29A1 GLY 209 H 0.02 0.15 0.17 -0.55 8.43 8.23 3n29A1 GLY 209 HA2 0.01 -0.00 0.34 -0.51 4.01 3.84 3n29A1 GLY 209 HA3 -0.00 0.15 0.67 -0.51 4.01 4.33 3n29A1 TYR 210 H 0.08 0.57 -0.23 -0.55 8.29 8.17 3n29A1 TYR 210 HA -0.05 -0.09 0.34 -0.75 4.56 4.01 3n29A1 TYR 210 HB2 -0.12 0.20 0.03 -0.04 3.06 3.12 3n29A1 TYR 210 HB3 -0.07 0.15 0.02 -0.04 2.98 3.05 3n29A1 TYR 210 HD2 -0.03 0.05 -0.37 -0.04 7.15 6.77 3n29A1 TYR 210 HE2 0.02 0.11 -0.10 -0.04 6.85 6.83 3n29A1 ASP 211 H -0.68 -0.02 0.15 -0.55 8.40 7.30 3n29A1 ASP 211 HA -0.06 0.20 0.59 -0.75 4.63 4.61 3n29A1 ASP 211 HB2 -0.17 0.13 0.17 -0.04 2.71 2.80 3n29A1 ASP 211 HB3 -0.28 -0.15 0.29 -0.04 2.70 2.51 3n29A1 VAL 212 H 0.11 0.50 0.12 -0.55 8.24 8.43 3n29A1 VAL 212 HA 0.30 0.04 0.33 -0.75 4.13 4.04 3n29A1 VAL 212 HB 0.07 -0.02 0.12 -0.04 2.12 2.25 3n29A1 VAL 212 HG13 0.04 0.02 -0.12 -0.04 0.97 0.87 3n29A1 VAL 212 HG23 0.12 0.06 0.00 -0.04 0.95 1.09 3n29A1 GLU 213 H 0.03 0.13 -0.06 -0.55 8.60 8.15 3n29A1 GLU 213 HA 0.03 0.14 0.37 -0.75 4.29 4.08 3n29A1 GLU 213 HB2 0.00 -0.08 0.06 -0.04 2.09 2.04 3n29A1 GLU 213 HB3 0.01 0.07 -0.06 -0.04 1.99 1.97 3n29A1 GLU 213 HG2 0.01 0.07 0.04 -0.04 2.34 2.42 3n29A1 GLU 213 HG3 0.02 -0.03 0.06 -0.04 2.34 2.34 3n29A1 LYS 214 H -0.01 0.05 -0.33 -0.55 8.42 7.58 3n29A1 LYS 214 HA 0.01 0.12 0.52 -0.75 4.32 4.22 3n29A1 LYS 214 HB2 -0.03 0.02 0.06 -0.04 1.87 1.87 3n29A1 LYS 214 HB3 -0.07 0.05 0.10 -0.04 1.79 1.82 3n29A1 LYS 214 HG2 -0.03 -0.03 -0.27 -0.04 1.46 1.08 3n29A1 LYS 214 HG3 -0.00 0.04 -0.01 -0.04 1.46 1.44 3n29A1 LYS 214 HD2 -0.03 0.05 -0.01 -0.04 1.69 1.66 3n29A1 LYS 214 HD3 -0.06 -0.11 -0.06 -0.04 1.68 1.41 3n29A1 LYS 214 HE2 -0.03 -0.05 -0.15 -0.04 2.99 2.72 3n29A1 LYS 214 HE3 -0.01 0.05 -0.05 -0.04 2.99 2.94 3n29A1 LEU 215 H 0.05 0.37 -0.10 -0.55 8.37 8.14 3n29A1 LEU 215 HA 0.07 -0.01 0.46 -0.75 4.35 4.10 3n29A1 LEU 215 HB2 0.28 -0.11 0.09 -0.04 1.64 1.85 3n29A1 LEU 215 HB3 0.16 0.20 0.15 -0.04 1.64 2.10 3n29A1 LEU 215 HG 0.03 0.09 -0.30 -0.04 1.64 1.42 3n29A1 LEU 215 HD13 0.00 -0.02 -0.03 -0.04 0.93 0.84 3n29A1 LEU 215 HD23 0.02 -0.02 -0.08 -0.04 0.89 0.77 3n29A1 ILE 216 H 0.05 0.49 -0.20 -0.55 8.25 8.04 3n29A1 ILE 216 HA 0.03 0.04 0.33 -0.75 4.18 3.82 3n29A1 ILE 216 HB 0.03 0.08 0.16 -0.04 1.89 2.11 3n29A1 ILE 216 HG12 0.01 0.07 0.07 -0.04 1.49 1.60 3n29A1 ILE 216 HG13 0.03 -0.02 0.06 -0.04 1.21 1.23 3n29A1 ILE 216 HG23 0.02 0.00 -0.26 -0.04 0.93 0.65 3n29A1 ILE 216 HD13 0.02 -0.03 -0.12 -0.04 0.88 0.71 3n29A1 ALA 217 H 0.03 0.42 -0.07 -0.55 8.40 8.23 3n29A1 ALA 217 HA 0.04 0.05 0.41 -0.75 4.34 4.09 3n29A1 ALA 217 HB3 0.03 0.01 0.13 -0.04 1.41 1.54 3n29A1 LEU 218 H 0.06 0.52 -0.17 -0.55 8.37 8.23 3n29A1 LEU 218 HA 0.12 -0.01 0.21 -0.75 4.35 3.91 3n29A1 LEU 218 HB2 0.10 0.10 0.15 -0.04 1.64 1.94 3n29A1 LEU 218 HB3 0.11 -0.03 -0.07 -0.04 1.64 1.61 3n29A1 LEU 218 HG 0.04 0.14 0.03 -0.04 1.64 1.81 3n29A1 LEU 218 HD13 0.02 -0.05 -0.09 -0.04 0.93 0.78 3n29A1 LEU 218 HD23 0.05 -0.01 -0.01 -0.04 0.89 0.87 3n29A1 CYS 219 H 0.12 0.51 -0.09 -0.55 8.50 8.50 3n29A1 CYS 219 HA 0.23 -0.03 0.46 -0.75 4.58 4.49 3n29A1 CYS 219 HB2 0.04 0.16 0.17 -0.04 2.97 3.29 3n29A1 CYS 219 HB3 -0.02 0.00 -0.06 -0.04 2.97 2.85 3n29A1 LYS 220 H 0.08 0.64 0.00 -0.55 8.42 8.58 3n29A1 LYS 220 HA 0.06 0.18 0.62 -0.75 4.32 4.42 3n29A1 LYS 220 HB2 0.03 0.05 0.19 -0.04 1.87 2.10 3n29A1 LYS 220 HB3 0.05 -0.04 0.19 -0.04 1.79 1.95 3n29A1 LYS 220 HG2 0.03 -0.07 -0.13 -0.04 1.46 1.25 3n29A1 LYS 220 HG3 0.03 -0.00 0.04 -0.04 1.46 1.49 3n29A1 LYS 220 HD2 0.02 0.17 0.08 -0.04 1.69 1.91 3n29A1 LYS 220 HD3 0.02 -0.10 -0.00 -0.04 1.68 1.56 3n29A1 LYS 220 HE2 0.02 -0.07 -0.02 -0.04 2.99 2.88 3n29A1 LYS 220 HE3 0.02 0.03 -0.00 -0.04 2.99 2.99 3n29A1 ASN 221 H 0.10 0.78 0.06 -0.55 8.53 8.92 3n29A1 ASN 221 HA 0.05 0.01 0.52 -0.75 4.76 4.58 3n29A1 ASN 221 HB2 0.12 0.08 0.11 -0.04 2.88 3.16 3n29A1 ASN 221 HB3 0.06 -0.06 0.02 -0.04 2.79 2.77 3n29A1 ASN 221 HD21 0.03 -0.07 -0.02 -0.04 7.03 6.93 3n29A1 ASN 221 HD22 0.05 -0.05 -0.09 -0.04 7.74 7.62 3n29A1 PHE 222 H 0.33 0.46 -0.28 -0.55 8.34 8.30 3n29A1 PHE 222 HA 0.20 -0.01 0.22 -0.75 4.62 4.27 3n29A1 PHE 222 HB2 0.30 0.06 0.11 -0.04 3.15 3.59 3n29A1 PHE 222 HB3 0.35 0.07 0.12 -0.04 3.06 3.56 3n29A1 PHE 222 HD2 0.33 0.03 -0.22 -0.04 7.28 7.38 3n29A1 PHE 222 HE2 0.34 0.00 -0.14 -0.04 7.38 7.54 3n29A1 PHE 222 HZ 0.39 -0.01 -0.14 -0.04 7.32 7.51 3n29A1 SER 223 H 0.29 0.50 -0.13 -0.55 8.46 8.58 3n29A1 SER 223 HA 0.26 0.02 0.38 -0.75 4.49 4.40 3n29A1 SER 223 HB2 0.12 0.01 0.21 -0.04 3.95 4.25 3n29A1 SER 223 HB3 0.09 0.13 0.23 -0.04 3.93 4.34 3n29A1 ASP 224 H 0.07 0.44 -0.26 -0.55 8.40 8.10 3n29A1 ASP 224 HA 0.02 0.04 0.32 -0.75 4.63 4.26 3n29A1 ASP 224 HB2 0.01 0.05 0.17 -0.04 2.71 2.90 3n29A1 ASP 224 HB3 -0.01 -0.07 0.01 -0.04 2.70 2.59 3n29A1 LYS 225 H -0.08 0.52 -0.12 -0.55 8.42 8.19 3n29A1 LYS 225 HA -0.20 -0.03 0.33 -0.75 4.32 3.66 3n29A1 LYS 225 HB2 -0.23 0.01 0.12 -0.04 1.87 1.72 3n29A1 LYS 225 HB3 -0.54 0.08 0.14 -0.04 1.79 1.43 3n29A1 LYS 225 HG2 -1.06 0.03 -0.18 -0.04 1.46 0.21 3n29A1 LYS 225 HG3 -0.38 -0.05 0.03 -0.04 1.46 1.01 3n29A1 LYS 225 HD2 -0.24 -0.05 -0.04 -0.04 1.69 1.32 3n29A1 LYS 225 HD3 -0.60 -0.01 -0.05 -0.04 1.68 0.98 3n29A1 LYS 225 HE2 -0.53 0.03 -0.05 -0.04 2.99 2.39 3n29A1 LYS 225 HE3 -0.26 -0.02 -0.03 -0.04 2.99 2.65 3n29A1 TYR 226 H -0.09 0.43 -0.19 -0.55 8.29 7.89 3n29A1 TYR 226 HA -0.08 0.13 0.68 -0.75 4.56 4.54 3n29A1 TYR 226 HB2 -0.17 0.05 -0.11 -0.04 3.06 2.79 3n29A1 TYR 226 HB3 -0.05 0.07 -0.18 -0.04 2.98 2.77 3n29A1 TYR 226 HD2 -0.73 0.08 -0.06 -0.04 7.15 6.40 3n29A1 TYR 226 HE2 -0.37 -0.02 -0.03 -0.04 6.85 6.38 3n29A1 GLY 227 H 0.04 0.21 -0.27 -0.55 8.43 7.86 3n29A1 GLY 227 HA2 0.07 -0.00 0.34 -0.51 4.01 3.91 3n29A1 GLY 227 HA3 0.07 -0.02 0.41 -0.51 4.01 3.96 3n29A1 VAL 228 H 0.16 0.32 0.12 -0.55 8.24 8.28 3n29A1 VAL 228 HA 0.18 0.37 0.80 -0.75 4.13 4.73 3n29A1 VAL 228 HB 0.29 -0.13 -0.29 -0.04 2.12 1.94 3n29A1 VAL 228 HG13 0.17 0.08 -0.51 -0.04 0.97 0.67 3n29A1 VAL 228 HG23 0.40 -0.06 -0.28 -0.04 0.95 0.98 3n29A1 GLN 229 H 0.26 0.68 0.39 -0.55 8.47 9.25 3n29A1 GLN 229 HA 0.04 0.11 0.76 -0.75 4.36 4.51 3n29A1 GLN 229 HB2 0.12 0.05 0.14 -0.04 2.15 2.42 3n29A1 GLN 229 HB3 0.33 0.01 0.22 -0.04 2.02 2.54 3n29A1 GLN 229 HG2 -0.03 -0.04 -0.03 -0.04 2.40 2.26 3n29A1 GLN 229 HG3 -0.47 -0.08 -0.27 -0.04 2.39 1.53 3n29A1 GLN 229 HE21 -0.19 0.49 0.20 -0.04 6.97 7.42 3n29A1 GLN 229 HE22 -0.42 0.20 0.15 -0.04 7.69 7.57 3n29A1 VAL 230 H -0.09 0.22 0.15 -0.55 8.24 7.97 3n29A1 VAL 230 HA -0.08 0.29 0.86 -0.75 4.13 4.45 3n29A1 VAL 230 HB -0.23 -0.02 0.07 -0.04 2.12 1.91 3n29A1 VAL 230 HG13 -1.01 -0.04 -0.15 -0.04 0.97 -0.28 3n29A1 VAL 230 HG23 -0.01 0.04 -0.06 -0.04 0.95 0.88 3n29A1 TYR 231 H -0.05 0.58 0.48 -0.55 8.29 8.75 3n29A1 TYR 231 HA -0.18 0.31 0.97 -0.75 4.56 4.90 3n29A1 TYR 231 HB2 -0.10 -0.10 0.06 -0.04 3.06 2.87 3n29A1 TYR 231 HB3 -0.23 -0.03 -0.05 -0.04 2.98 2.63 3n29A1 TYR 231 HD2 -0.13 0.04 -0.21 -0.04 7.15 6.81 3n29A1 TYR 231 HE2 -0.08 0.03 -0.15 -0.04 6.85 6.60 3n29A1 LEU 232 H -0.09 0.67 0.30 -0.55 8.37 8.70 3n29A1 LEU 232 HA -0.05 0.13 0.83 -0.75 4.35 4.52 3n29A1 LEU 232 HB2 -0.07 -0.01 0.01 -0.04 1.64 1.53 3n29A1 LEU 232 HB3 -0.01 -0.06 0.05 -0.04 1.64 1.57 3n29A1 LEU 232 HG -0.20 0.02 -0.33 -0.04 1.64 1.09 3n29A1 LEU 232 HD13 -0.11 -0.00 -0.14 -0.04 0.93 0.64 3n29A1 LEU 232 HD23 -0.20 0.01 -0.07 -0.04 0.89 0.59 3n29A1 GLU 233 H 0.09 0.60 0.00 -0.55 8.60 8.74 3n29A1 GLU 233 HA -0.01 0.41 0.92 -0.75 4.29 4.85 3n29A1 GLU 233 HB2 -0.01 -0.08 -0.13 -0.04 2.09 1.84 3n29A1 GLU 233 HB3 -0.05 0.11 -0.36 -0.04 1.99 1.65 3n29A1 GLU 233 HG2 -0.00 -0.00 -0.24 -0.04 2.34 2.06 3n29A1 GLU 233 HG3 0.02 -0.14 -0.24 -0.04 2.34 1.93 3n29A1 PRO 234 HA 0.02 -0.19 0.67 -0.51 4.44 4.44 3n29A1 PRO 234 HB2 -0.02 -0.13 -0.02 -0.04 2.28 2.06 3n29A1 PRO 234 HB3 0.02 0.04 0.15 -0.04 2.02 2.20 3n29A1 PRO 234 HG2 -0.02 0.11 0.08 -0.04 2.03 2.17 3n29A1 PRO 234 HG3 -0.02 0.08 -0.00 -0.04 2.03 2.04 3n29A1 PRO 234 HD2 -0.00 0.41 0.02 -0.04 3.68 4.07 3n29A1 PRO 234 HD3 0.05 0.05 -0.06 -0.04 3.65 3.65 3n29A1 GLY 235 H 0.04 -0.05 0.29 -0.55 8.43 8.16 3n29A1 GLY 235 HA2 0.04 0.33 0.92 -0.51 4.01 4.79 3n29A1 GLY 235 HA3 0.07 0.06 0.49 -0.51 4.01 4.11 3n29A1 GLU 236 H 0.14 0.09 0.19 -0.55 8.60 8.48 3n29A1 GLU 236 HA 0.08 0.10 0.26 -0.75 4.29 3.98 3n29A1 GLU 236 HB2 0.30 0.07 0.12 -0.04 2.09 2.54 3n29A1 GLU 236 HB3 -0.03 -0.08 0.14 -0.04 1.99 1.98 3n29A1 GLU 236 HG2 -0.07 0.01 -0.20 -0.04 2.34 2.04 3n29A1 GLU 236 HG3 -0.52 0.02 0.00 -0.04 2.34 1.80 3n29A1 ALA 237 H -0.03 -0.04 -0.25 -0.55 8.40 7.53 3n29A1 ALA 237 HA -0.01 0.04 0.20 -0.75 4.34 3.81 3n29A1 ALA 237 HB3 -0.09 0.04 0.06 -0.04 1.41 1.39 3n29A1 VAL 238 H -0.10 0.15 -0.39 -0.55 8.24 7.36 3n29A1 VAL 238 HA -0.18 0.12 0.53 -0.75 4.13 3.85 3n29A1 VAL 238 HB -0.30 0.09 0.05 -0.04 2.12 1.91 3n29A1 VAL 238 HG13 -0.46 0.00 -0.14 -0.04 0.97 0.34 3n29A1 VAL 238 HG23 -0.08 -0.02 -0.07 -0.04 0.95 0.74 3n29A1 GLY 239 H -0.23 0.26 -0.20 -0.55 8.43 7.71 3n29A1 GLY 239 HA2 -0.45 0.10 0.37 -0.51 4.01 3.52 3n29A1 GLY 239 HA3 -0.09 -0.08 0.19 -0.51 4.01 3.52 3n29A1 TRP 240 H 0.10 0.27 -0.41 -0.55 7.97 7.38 3n29A1 TRP 240 HA -0.06 -0.11 0.25 -0.75 4.62 3.94 3n29A1 TRP 240 HB2 -0.11 -0.04 -0.08 -0.04 3.23 2.97 3n29A1 TRP 240 HB3 -0.09 0.13 0.02 -0.04 3.23 3.25 3n29A1 TRP 240 HD1 -0.07 0.17 -0.27 -0.04 7.22 7.00 3n29A1 TRP 240 HE1 -0.08 -0.02 -0.03 -0.04 10.20 10.03 3n29A1 TRP 240 HE3 -0.14 -0.04 -0.05 -0.04 7.59 7.32 3n29A1 TRP 240 HZ2 -0.02 0.02 0.00 -0.04 7.44 7.40 3n29A1 TRP 240 HZ3 0.18 0.03 -0.02 -0.04 7.13 7.28 3n29A1 TRP 240 HH2 0.12 0.05 -0.00 -0.04 7.19 7.31 3n29A1 GLN 241 H -0.43 0.07 0.24 -0.55 8.47 7.81 3n29A1 GLN 241 HA -0.29 -0.09 0.45 -0.75 4.36 3.68 3n29A1 GLN 241 HB2 -0.33 0.20 -0.01 -0.04 2.15 1.97 3n29A1 GLN 241 HB3 -0.23 -0.01 0.23 -0.04 2.02 1.96 3n29A1 GLN 241 HG2 -0.71 -0.02 0.09 -0.04 2.40 1.71 3n29A1 GLN 241 HG3 -2.19 -0.07 -0.11 -0.04 2.39 -0.02 3n29A1 GLN 241 HE21 0.04 0.02 0.02 -0.04 6.97 7.01 3n29A1 GLN 241 HE22 -0.44 -0.00 0.01 -0.04 7.69 7.22 3n29A1 THR 242 H -0.02 0.31 -0.15 -0.55 8.28 7.87 3n29A1 THR 242 HA -0.03 0.22 0.94 -0.75 4.39 4.76 3n29A1 THR 242 HB -0.02 -0.09 0.11 -0.04 4.32 4.27 3n29A1 THR 242 HG23 -0.07 0.05 -0.37 -0.04 1.22 0.79 3n29A1 GLY 243 H 0.00 0.05 0.10 -0.55 8.43 8.04 3n29A1 GLY 243 HA2 0.04 0.16 0.59 -0.51 4.01 4.29 3n29A1 GLY 243 HA3 0.03 0.12 0.43 -0.51 4.01 4.08 3n29A1 ASN 244 H 0.07 0.47 0.31 -0.55 8.53 8.83 3n29A1 ASN 244 HA 0.08 0.07 1.04 -0.75 4.76 5.19 3n29A1 ASN 244 HB2 0.03 0.01 -0.06 -0.04 2.88 2.81 3n29A1 ASN 244 HB3 0.03 0.22 -0.10 -0.04 2.79 2.90 3n29A1 ASN 244 HD21 0.08 0.03 -0.12 -0.04 7.03 6.97 3n29A1 ASN 244 HD22 0.19 0.06 -0.10 -0.04 7.74 7.85 3n29A1 LEU 245 H 0.10 0.54 0.28 -0.55 8.37 8.74 3n29A1 LEU 245 HA -0.11 0.30 1.14 -0.75 4.35 4.92 3n29A1 LEU 245 HB2 -0.06 0.06 0.04 -0.04 1.64 1.64 3n29A1 LEU 245 HB3 0.08 -0.03 0.16 -0.04 1.64 1.81 3n29A1 LEU 245 HG -0.03 -0.05 -0.34 -0.04 1.64 1.18 3n29A1 LEU 245 HD13 -0.69 0.03 -0.14 -0.04 0.93 0.09 3n29A1 LEU 245 HD23 -0.14 0.00 -0.13 -0.04 0.89 0.59 3n29A1 VAL 246 H -0.19 0.68 0.33 -0.55 8.24 8.51 3n29A1 VAL 246 HA -0.19 0.23 0.90 -0.75 4.13 4.31 3n29A1 VAL 246 HB -0.36 0.03 0.10 -0.04 2.12 1.85 3n29A1 VAL 246 HG13 -0.36 0.01 -0.18 -0.04 0.97 0.40 3n29A1 VAL 246 HG23 -0.87 -0.01 -0.15 -0.04 0.95 -0.12 3n29A1 ALA 247 H -0.10 0.68 0.40 -0.55 8.40 8.84 3n29A1 ALA 247 HA -0.05 0.11 0.81 -0.75 4.34 4.46 3n29A1 ALA 247 HB3 0.08 -0.02 -0.10 -0.04 1.41 1.33 3n29A1 SER 248 H -0.03 0.13 0.16 -0.55 8.46 8.17 3n29A1 SER 248 HA -0.07 0.38 1.11 -0.75 4.49 5.15 3n29A1 SER 248 HB2 -0.04 -0.07 0.00 -0.04 3.95 3.80 3n29A1 SER 248 HB3 -0.05 0.11 -0.11 -0.04 3.93 3.85 3n29A1 VAL 249 H -0.09 0.68 0.13 -0.55 8.24 8.41 3n29A1 VAL 249 HA -0.06 0.09 0.66 -0.75 4.13 4.07 3n29A1 VAL 249 HB -0.12 -0.01 0.13 -0.04 2.12 2.07 3n29A1 VAL 249 HG13 -0.11 -0.01 -0.32 -0.04 0.97 0.49 3n29A1 VAL 249 HG23 -0.19 0.03 -0.13 -0.04 0.95 0.61 3n29A1 VAL 250 H -0.03 0.56 0.42 -0.55 8.24 8.64 3n29A1 VAL 250 HA -0.03 0.11 0.77 -0.75 4.13 4.23 3n29A1 VAL 250 HB -0.02 0.09 0.03 -0.04 2.12 2.18 3n29A1 VAL 250 HG13 -0.02 -0.01 -0.06 -0.04 0.97 0.84 3n29A1 VAL 250 HG23 -0.02 0.01 -0.08 -0.04 0.95 0.82 3n29A1 ASP 251 H -0.03 0.40 0.29 -0.55 8.40 8.52 3n29A1 ASP 251 HA -0.02 0.13 0.61 -0.75 4.63 4.59 3n29A1 ASP 251 HB2 -0.01 0.05 -0.22 -0.04 2.71 2.48 3n29A1 ASP 251 HB3 -0.01 -0.04 -0.04 -0.04 2.70 2.58 3n29A1 ILE 252 H -0.01 0.26 0.16 -0.55 8.25 8.12 3n29A1 ILE 252 HA 0.02 0.29 1.00 -0.75 4.18 4.74 3n29A1 ILE 252 HB 0.01 -0.02 0.09 -0.04 1.89 1.92 3n29A1 ILE 252 HG12 -0.06 0.03 -0.11 -0.04 1.49 1.31 3n29A1 ILE 252 HG13 -0.05 -0.11 -0.52 -0.04 1.21 0.48 3n29A1 ILE 252 HG23 0.12 0.02 -0.16 -0.04 0.93 0.87 3n29A1 ILE 252 HD13 -0.09 -0.02 -0.29 -0.04 0.88 0.45 3n29A1 ILE 253 H 0.05 0.67 0.35 -0.55 8.25 8.77 3n29A1 ILE 253 HA 0.02 0.21 0.99 -0.75 4.18 4.64 3n29A1 ILE 253 HB 0.01 -0.02 0.15 -0.04 1.89 1.99 3n29A1 ILE 253 HG12 0.03 0.02 -0.06 -0.04 1.49 1.43 3n29A1 ILE 253 HG13 0.03 -0.01 -0.36 -0.04 1.21 0.83 3n29A1 ILE 253 HG23 0.01 0.00 -0.24 -0.04 0.93 0.66 3n29A1 ILE 253 HD13 0.02 0.01 -0.11 -0.04 0.88 0.75 3n29A1 GLU 254 H 0.02 0.22 0.18 -0.55 8.60 8.47 3n29A1 GLU 254 HA 0.02 0.31 1.01 -0.75 4.29 4.88 3n29A1 GLU 254 HB2 0.01 -0.01 -0.12 -0.04 2.09 1.94 3n29A1 GLU 254 HB3 0.01 -0.01 0.08 -0.04 1.99 2.02 3n29A1 GLU 254 HG2 0.01 -0.10 -0.28 -0.04 2.34 1.93 3n29A1 GLU 254 HG3 0.00 0.06 -0.23 -0.04 2.34 2.13 3n29A1 ASN 255 H 0.02 0.59 -0.07 -0.55 8.53 8.52 3n29A1 ASN 255 HA 0.01 0.08 0.47 -0.75 4.76 4.57 3n29A1 ASN 255 HB2 0.01 0.07 -0.04 -0.04 2.88 2.88 3n29A1 ASN 255 HB3 0.02 -0.02 0.12 -0.04 2.79 2.87 3n29A1 ASN 255 HD21 0.01 -0.00 -0.00 -0.04 7.03 6.99 3n29A1 ASN 255 HD22 0.01 0.00 -0.00 -0.04 7.74 7.71 3n29A1 GLU 256 H 0.01 0.16 -0.06 -0.55 8.60 8.16 3n29A1 GLU 256 HA 0.00 0.02 0.38 -0.75 4.29 3.94 3n29A1 GLU 256 HB2 0.01 0.17 0.31 -0.04 2.09 2.53 3n29A1 GLU 256 HB3 0.00 -0.01 0.08 -0.04 1.99 2.02 3n29A1 GLU 256 HG2 0.00 -0.00 0.01 -0.04 2.34 2.31 3n29A1 GLU 256 HG3 0.01 -0.05 -0.27 -0.04 2.34 1.99 3n29A1 LYS 257 H 0.01 0.47 -0.03 -0.55 8.42 8.32 3n29A1 LYS 257 HA -0.01 0.16 0.81 -0.75 4.32 4.53 3n29A1 LYS 257 HB2 0.03 0.01 -0.08 -0.04 1.87 1.80 3n29A1 LYS 257 HB3 0.01 -0.01 0.09 -0.04 1.79 1.85 3n29A1 LYS 257 HG2 0.01 -0.04 -0.10 -0.04 1.46 1.29 3n29A1 LYS 257 HG3 0.02 0.05 0.04 -0.04 1.46 1.53 3n29A1 LYS 257 HD2 0.01 0.01 -0.04 -0.04 1.69 1.63 3n29A1 LYS 257 HD3 0.03 -0.02 -0.05 -0.04 1.68 1.60 3n29A1 LYS 257 HE2 0.02 -0.03 -0.07 -0.04 2.99 2.86 3n29A1 LYS 257 HE3 -0.00 0.03 -0.01 -0.04 2.99 2.97 3n29A1 GLN 258 H -0.07 0.18 0.19 -0.55 8.47 8.23 3n29A1 GLN 258 HA 0.02 0.19 0.86 -0.75 4.36 4.67 3n29A1 GLN 258 HB2 -0.43 0.12 0.26 -0.04 2.15 2.06 3n29A1 GLN 258 HB3 -0.01 -0.01 0.06 -0.04 2.02 2.02 3n29A1 GLN 258 HG2 -0.12 -0.04 0.07 -0.04 2.40 2.28 3n29A1 GLN 258 HG3 -0.28 0.01 0.06 -0.04 2.39 2.14 3n29A1 GLN 258 HE21 -0.00 -0.01 -0.10 -0.04 6.97 6.82 3n29A1 GLN 258 HE22 -0.02 -0.01 -0.16 -0.04 7.69 7.45 3n29A1 ILE 259 H 0.09 0.73 0.35 -0.55 8.25 8.87 3n29A1 ILE 259 HA 0.15 0.19 1.04 -0.75 4.18 4.80 3n29A1 ILE 259 HB 0.06 -0.07 0.00 -0.04 1.89 1.83 3n29A1 ILE 259 HG12 0.07 -0.01 -0.18 -0.04 1.49 1.33 3n29A1 ILE 259 HG13 0.05 0.00 -0.66 -0.04 1.21 0.56 3n29A1 ILE 259 HG23 0.06 -0.00 -0.26 -0.04 0.93 0.69 3n29A1 ILE 259 HD13 0.04 0.00 -0.16 -0.04 0.88 0.72 3n29A1 ALA 260 H 0.13 0.72 0.32 -0.55 8.40 9.03 3n29A1 ALA 260 HA 0.01 0.19 1.01 -0.75 4.34 4.79 3n29A1 ALA 260 HB3 -0.09 -0.02 0.04 -0.04 1.41 1.30 3n29A1 ILE 261 H -0.00 0.69 0.34 -0.55 8.25 8.73 3n29A1 ILE 261 HA 0.02 0.17 0.81 -0.75 4.18 4.42 3n29A1 ILE 261 HB -0.00 -0.11 0.18 -0.04 1.89 1.91 3n29A1 ILE 261 HG12 0.02 0.05 -0.20 -0.04 1.49 1.32 3n29A1 ILE 261 HG13 0.02 -0.03 -0.23 -0.04 1.21 0.92 3n29A1 ILE 261 HG23 -0.00 0.06 -0.16 -0.04 0.93 0.78 3n29A1 ILE 261 HD13 0.01 0.00 -0.10 -0.04 0.88 0.74 3n29A1 LEU 262 H 0.02 0.70 0.35 -0.55 8.37 8.89 3n29A1 LEU 262 HA -0.01 0.20 0.90 -0.75 4.35 4.69 3n29A1 LEU 262 HB2 0.06 -0.04 -0.02 -0.04 1.64 1.60 3n29A1 LEU 262 HB3 0.05 -0.08 -0.01 -0.04 1.64 1.56 3n29A1 LEU 262 HG 0.06 0.16 0.02 -0.04 1.64 1.84 3n29A1 LEU 262 HD13 0.21 -0.03 -0.16 -0.04 0.93 0.91 3n29A1 LEU 262 HD23 -0.04 -0.02 -0.42 -0.04 0.89 0.38 3n29A1 ASP 263 H 0.00 0.30 0.24 -0.55 8.40 8.39 3n29A1 ASP 263 HA 0.00 0.20 0.71 -0.75 4.63 4.79 3n29A1 ASP 263 HB2 -0.00 0.08 0.17 -0.04 2.71 2.92 3n29A1 ASP 263 HB3 -0.01 0.03 0.06 -0.04 2.70 2.73 3n29A1 THR 264 H 0.02 0.25 -0.43 -0.55 8.28 7.57 3n29A1 THR 264 HA 0.21 0.30 0.74 -0.75 4.39 4.89 3n29A1 THR 264 HB 0.05 0.03 -0.25 -0.04 4.32 4.11 3n29A1 THR 264 HG23 0.01 -0.02 -0.28 -0.04 1.22 0.89 3n29A1 SER 265 H -0.13 0.32 0.07 -0.55 8.46 8.17 3n29A1 SER 265 HA -0.12 0.11 0.78 -0.75 4.49 4.51 3n29A1 SER 265 HB2 -0.18 0.00 -0.00 -0.04 3.95 3.73 3n29A1 SER 265 HB3 -0.54 0.17 -0.02 -0.04 3.93 3.50 3n29A1 SER 266 H -0.10 0.20 -0.01 -0.55 8.46 8.00 3n29A1 SER 266 HA -0.15 0.12 0.44 -0.75 4.49 4.15 3n29A1 SER 266 HB2 -0.10 0.13 -0.03 -0.04 3.95 3.92 3n29A1 SER 266 HB3 -0.12 0.03 -0.09 -0.04 3.93 3.71 3n29A1 GLU 267 H -0.05 0.02 -0.12 -0.55 8.60 7.90 3n29A1 GLU 267 HA -0.03 0.15 0.14 -0.75 4.29 3.80 3n29A1 GLU 267 HB2 0.01 0.03 0.02 -0.04 2.09 2.12 3n29A1 GLU 267 HB3 0.04 -0.10 0.03 -0.04 1.99 1.92 3n29A1 GLU 267 HG2 0.11 -0.04 -0.12 -0.04 2.34 2.25 3n29A1 GLU 267 HG3 -0.03 0.08 -0.19 -0.04 2.34 2.16 3n29A1 ALA 268 H -0.13 -0.08 -0.34 -0.55 8.40 7.31 3n29A1 ALA 268 HA 0.03 0.15 0.49 -0.75 4.34 4.26 3n29A1 ALA 268 HB3 -0.15 0.05 -0.02 -0.04 1.41 1.24 3n29A1 HIS 269 H -0.08 0.27 -0.14 -0.55 8.41 7.91 3n29A1 HIS 269 HA 0.10 0.20 0.82 -0.75 4.63 5.00 3n29A1 HIS 269 HB2 -0.08 0.04 0.08 -0.04 3.26 3.27 3n29A1 HIS 269 HB3 -0.05 -0.00 0.06 -0.04 3.20 3.16 3n29A1 HIS 269 HD2 0.03 0.18 -0.40 -0.04 6.97 6.73 3n29A1 HIS 269 HE1 -0.04 0.21 -0.05 -0.04 7.75 7.82 3n29A1 MET 270 H 0.00 0.38 -0.03 -0.55 8.47 8.27 3n29A1 MET 270 HA 0.08 0.18 0.77 -0.75 4.52 4.79 3n29A1 MET 270 HB2 -0.14 -0.06 0.18 -0.04 2.15 2.09 3n29A1 MET 270 HB3 -0.07 -0.06 0.19 -0.04 2.03 2.04 3n29A1 MET 270 HG2 0.01 0.08 -0.02 -0.04 2.63 2.66 3n29A1 MET 270 HG3 -0.09 -0.04 -0.38 -0.04 2.56 2.01 3n29A1 MET 270 HE3 -0.95 -0.02 -0.19 -0.04 2.10 0.90 3n29A1 PRO 271 HA 0.00 0.07 0.36 -0.51 4.44 4.36 3n29A1 PRO 271 HB2 0.04 -0.02 -0.05 -0.04 2.28 2.20 3n29A1 PRO 271 HB3 0.02 0.17 0.11 -0.04 2.02 2.28 3n29A1 PRO 271 HG2 0.06 0.00 -0.09 -0.04 2.03 1.97 3n29A1 PRO 271 HG3 0.05 0.27 -0.12 -0.04 2.03 2.20 3n29A1 PRO 271 HD2 0.09 0.12 -0.15 -0.04 3.68 3.70 3n29A1 PRO 271 HD3 0.08 0.06 -0.55 -0.04 3.65 3.20 3n29A1 ASP 272 H 0.10 0.24 -0.22 -0.55 8.40 7.97 3n29A1 ASP 272 HA 0.10 0.02 0.46 -0.75 4.63 4.46 3n29A1 ASP 272 HB2 0.26 0.09 0.05 -0.04 2.71 3.07 3n29A1 ASP 272 HB3 0.24 -0.04 0.03 -0.04 2.70 2.89 3n29A1 THR 273 H -0.03 0.50 -0.24 -0.55 8.28 7.96 3n29A1 THR 273 HA -0.45 -0.03 0.48 -0.75 4.39 3.63 3n29A1 THR 273 HB -0.33 0.13 0.22 -0.04 4.32 4.29 3n29A1 THR 273 HG23 -0.66 -0.04 0.04 -0.04 1.22 0.52 3n29A1 ILE 274 H -0.03 0.33 -0.24 -0.55 8.25 7.76 3n29A1 ILE 274 HA -0.02 0.08 0.60 -0.75 4.18 4.08 3n29A1 ILE 274 HB -0.02 0.13 0.11 -0.04 1.89 2.08 3n29A1 ILE 274 HG12 -0.05 0.03 -0.17 -0.04 1.49 1.27 3n29A1 ILE 274 HG13 -0.03 -0.12 -0.12 -0.04 1.21 0.89 3n29A1 ILE 274 HG23 -0.02 -0.01 -0.09 -0.04 0.93 0.77 3n29A1 ILE 274 HD13 -0.03 0.00 -0.05 -0.04 0.88 0.76 3n29A1 ILE 275 H 0.03 0.39 0.06 -0.55 8.25 8.18 3n29A1 ILE 275 HA 0.01 0.07 0.30 -0.75 4.18 3.81 3n29A1 ILE 275 HB 0.05 -0.05 0.10 -0.04 1.89 1.94 3n29A1 ILE 275 HG12 0.00 -0.01 -0.01 -0.04 1.49 1.43 3n29A1 ILE 275 HG13 0.01 0.01 0.02 -0.04 1.21 1.21 3n29A1 ILE 275 HG23 0.02 -0.01 -0.11 -0.04 0.93 0.80 3n29A1 ILE 275 HD13 0.02 -0.02 -0.10 -0.04 0.88 0.74 3n29A1 MET 276 H 0.09 0.42 -0.11 -0.55 8.47 8.33 3n29A1 MET 276 HA 0.05 0.00 0.16 -0.75 4.52 3.98 3n29A1 MET 276 HB2 0.24 0.00 -0.17 -0.04 2.15 2.17 3n29A1 MET 276 HB3 0.10 0.00 -0.13 -0.04 2.03 1.97 3n29A1 MET 276 HG2 0.04 0.00 -0.03 -0.04 2.63 2.60 3n29A1 MET 276 HG3 0.12 0.00 0.03 -0.04 2.56 2.67 3n29A1 MET 276 HE3 -0.02 0.02 -0.08 -0.04 2.10 1.98 3n29A1 PRO 277 HA 0.07 0.01 -0.09 -0.51 4.44 3.91 3n29A1 PRO 277 HB2 0.01 -0.04 0.10 -0.04 2.28 2.32 3n29A1 PRO 277 HB3 0.01 0.18 0.06 -0.04 2.02 2.23 3n29A1 PRO 277 HG2 0.03 -0.08 0.04 -0.04 2.03 1.98 3n29A1 PRO 277 HG3 0.02 0.02 0.05 -0.04 2.03 2.07 3n29A1 PRO 277 HD2 0.04 0.01 0.39 -0.04 3.68 4.08 3n29A1 PRO 277 HD3 0.03 0.19 0.11 -0.04 3.65 3.94 3n29A1 TYR 278 H -0.05 0.55 0.40 -0.55 8.29 8.64 3n29A1 TYR 278 HA 0.03 0.08 0.26 -0.75 4.56 4.17 3n29A1 TYR 278 HB2 0.05 -0.03 0.16 -0.04 3.06 3.20 3n29A1 TYR 278 HB3 0.04 0.10 -0.05 -0.04 2.98 3.03 3n29A1 TYR 278 HD2 0.06 0.09 -0.26 -0.04 7.15 6.99 3n29A1 TYR 278 HE2 0.06 -0.04 -0.21 -0.04 6.85 6.61 3n29A1 THR 279 H 0.22 0.20 0.15 -0.55 8.28 8.30 3n29A1 THR 279 HA -0.13 0.22 1.04 -0.75 4.39 4.77 3n29A1 THR 279 HB 0.04 -0.03 0.08 -0.04 4.32 4.38 3n29A1 THR 279 HG23 -0.03 0.10 -0.03 -0.04 1.22 1.22 3n29A1 SER 280 H -0.05 0.15 0.17 -0.55 8.46 8.19 3n29A1 SER 280 HA 0.26 0.05 0.58 -0.75 4.49 4.63 3n29A1 SER 280 HB2 0.01 -0.02 0.09 -0.04 3.95 3.99 3n29A1 SER 280 HB3 0.26 -0.05 0.04 -0.04 3.93 4.13 3n29A1 GLU 281 H 0.20 0.13 0.22 -0.55 8.60 8.60 3n29A1 GLU 281 HA 0.21 0.11 0.64 -0.75 4.29 4.50 3n29A1 GLU 281 HB2 0.09 -0.06 0.11 -0.04 2.09 2.19 3n29A1 GLU 281 HB3 0.08 0.06 0.09 -0.04 1.99 2.17 3n29A1 GLU 281 HG2 0.14 0.03 0.09 -0.04 2.34 2.55 3n29A1 GLU 281 HG3 0.08 -0.01 0.06 -0.04 2.34 2.43 3n29A1 VAL 282 H 0.07 0.27 0.12 -0.55 8.24 8.16 3n29A1 VAL 282 HA -0.16 0.26 0.94 -0.75 4.13 4.42 3n29A1 VAL 282 HB -0.35 -0.04 -0.04 -0.04 2.12 1.64 3n29A1 VAL 282 HG13 -0.29 0.03 -0.18 -0.04 0.97 0.49 3n29A1 VAL 282 HG23 -0.69 0.01 -0.30 -0.04 0.95 -0.06 3n29A1 LEU 283 H -0.10 0.61 0.26 -0.55 8.37 8.59 3n29A1 LEU 283 HA -0.02 0.01 0.48 -0.75 4.35 4.06 3n29A1 LEU 283 HB2 0.00 -0.01 0.11 -0.04 1.64 1.71 3n29A1 LEU 283 HB3 -0.01 -0.04 0.18 -0.04 1.64 1.73 3n29A1 LEU 283 HG 0.02 0.06 -0.16 -0.04 1.64 1.51 3n29A1 LEU 283 HD13 0.02 -0.01 0.04 -0.04 0.93 0.93 3n29A1 LEU 283 HD23 0.05 0.00 -0.03 -0.04 0.89 0.87 3n29A1 ASN 284 H -0.01 0.11 0.24 -0.55 8.53 8.33 3n29A1 ASN 284 HA 0.01 0.01 0.38 -0.75 4.76 4.39 3n29A1 ASN 284 HB2 0.08 0.18 0.05 -0.04 2.88 3.15 3n29A1 ASN 284 HB3 0.07 -0.05 0.24 -0.04 2.79 3.02 3n29A1 ASN 284 HD21 0.05 -0.01 -0.06 -0.04 7.03 6.97 3n29A1 ASN 284 HD22 0.06 0.06 -0.10 -0.04 7.74 7.72 3n29A1 ALA 285 H -0.11 0.46 -0.22 -0.55 8.40 7.98 3n29A1 ALA 285 HA -0.29 0.29 0.98 -0.75 4.34 4.56 3n29A1 ALA 285 HB3 -0.83 -0.04 -0.13 -0.04 1.41 0.36 3n29A1 ARG 286 H -0.12 0.54 0.34 -0.55 8.46 8.67 3n29A1 ARG 286 HA 0.00 0.19 1.04 -0.75 4.34 4.82 3n29A1 ARG 286 HB2 -0.02 -0.05 -0.03 -0.04 1.90 1.76 3n29A1 ARG 286 HB3 -0.01 0.07 -0.01 -0.04 1.80 1.81 3n29A1 ARG 286 HG2 -0.01 0.05 -0.14 -0.04 1.67 1.53 3n29A1 ARG 286 HG3 -0.02 -0.02 -0.21 -0.04 1.67 1.38 3n29A1 ARG 286 HD2 -0.00 0.03 -0.05 -0.04 3.22 3.16 3n29A1 ARG 286 HD3 -0.00 -0.01 -0.08 -0.04 3.22 3.09 3n29A1 ILE 287 H -0.00 0.15 0.12 -0.55 8.25 7.97 3n29A1 ILE 287 HA -0.36 0.11 0.60 -0.75 4.18 3.78 3n29A1 ILE 287 HB -0.05 -0.00 0.09 -0.04 1.89 1.89 3n29A1 ILE 287 HG12 -0.24 0.09 -0.07 -0.04 1.49 1.22 3n29A1 ILE 287 HG13 0.06 -0.11 0.00 -0.04 1.21 1.12 3n29A1 ILE 287 HG23 -0.17 0.01 -0.25 -0.04 0.93 0.47 3n29A1 ILE 287 HD13 0.06 0.00 -0.16 -0.04 0.88 0.74 3n29A1 LEU 288 H -0.18 0.65 0.44 -0.55 8.37 8.73 3n29A1 LEU 288 HA -0.04 0.13 0.81 -0.75 4.35 4.49 3n29A1 LEU 288 HB2 -0.04 0.00 -0.07 -0.04 1.64 1.50 3n29A1 LEU 288 HB3 -0.02 0.04 -0.02 -0.04 1.64 1.60 3n29A1 LEU 288 HG -0.01 0.01 -0.22 -0.04 1.64 1.38 3n29A1 LEU 288 HD13 0.04 -0.02 -0.27 -0.04 0.93 0.64 3n29A1 LEU 288 HD23 -0.01 -0.02 -0.41 -0.04 0.89 0.41 3n29A1 ALA 289 H -0.16 0.43 0.33 -0.55 8.40 8.46 3n29A1 ALA 289 HA -0.05 0.29 0.79 -0.75 4.34 4.62 3n29A1 ALA 289 HB3 -0.03 0.01 -0.13 -0.04 1.41 1.22 3n29A1 THR 290 H -0.04 0.50 0.21 -0.55 8.28 8.40 3n29A1 THR 290 HA -0.07 0.18 0.82 -0.75 4.39 4.57 3n29A1 THR 290 HB -0.02 0.04 0.12 -0.04 4.32 4.43 3n29A1 THR 290 HG23 -0.01 0.07 -0.01 -0.04 1.22 1.22 3n29A1 ARG 291 H -0.02 0.30 0.08 -0.55 8.46 8.28 3n29A1 ARG 291 HA 0.01 0.05 0.42 -0.75 4.34 4.07 3n29A1 ARG 291 HB2 0.00 0.00 -0.05 -0.04 1.90 1.82 3n29A1 ARG 291 HB3 -0.01 -0.02 0.07 -0.04 1.80 1.80 3n29A1 ARG 291 HG2 0.00 0.00 -0.20 -0.04 1.67 1.43 3n29A1 ARG 291 HG3 0.01 -0.06 0.05 -0.04 1.67 1.63 3n29A1 ARG 291 HD2 -0.01 0.21 0.19 -0.04 3.22 3.57 3n29A1 ARG 291 HD3 -0.01 0.00 0.04 -0.04 3.22 3.20 3n29A1 GLU 292 H -0.00 0.02 -0.30 -0.55 8.60 7.77 3n29A1 GLU 292 HA 0.00 0.21 0.58 -0.75 4.29 4.33 3n29A1 GLU 292 HB2 0.00 -0.06 0.01 -0.04 2.09 2.00 3n29A1 GLU 292 HB3 0.00 0.06 0.13 -0.04 1.99 2.14 3n29A1 GLU 292 HG2 0.01 0.07 0.01 -0.04 2.34 2.39 3n29A1 GLU 292 HG3 0.00 0.05 -0.04 -0.04 2.34 2.30 3n29A1 ASN 293 H -0.00 0.49 -0.67 -0.55 8.53 7.79 3n29A1 ASN 293 HA -0.00 0.07 0.20 -0.75 4.76 4.28 3n29A1 ASN 293 HB2 0.00 0.19 0.01 -0.04 2.88 3.04 3n29A1 ASN 293 HB3 0.00 -0.05 0.17 -0.04 2.79 2.86 3n29A1 ASN 293 HD21 0.01 -0.01 -0.08 -0.04 7.03 6.90 3n29A1 ASN 293 HD22 0.00 0.03 -0.17 -0.04 7.74 7.57 3n29A1 GLU 294 H -0.01 -0.06 -0.28 -0.55 8.60 7.71 3n29A1 GLU 294 HA -0.00 0.17 0.73 -0.75 4.29 4.43 3n29A1 GLU 294 HB2 0.00 0.04 -0.03 -0.04 2.09 2.06 3n29A1 GLU 294 HB3 -0.00 -0.14 0.01 -0.04 1.99 1.81 3n29A1 GLU 294 HG2 -0.00 0.19 -0.19 -0.04 2.34 2.29 3n29A1 GLU 294 HG3 0.00 0.02 0.01 -0.04 2.34 2.33 3n29A1 LYS 295 H -0.01 0.17 0.16 -0.55 8.42 8.20 3n29A1 LYS 295 HA -0.02 0.08 0.50 -0.75 4.32 4.13 3n29A1 LYS 295 HB2 -0.01 0.02 0.11 -0.04 1.87 1.94 3n29A1 LYS 295 HB3 -0.01 -0.01 0.10 -0.04 1.79 1.84 3n29A1 LYS 295 HG2 -0.01 0.00 -0.24 -0.04 1.46 1.17 3n29A1 LYS 295 HG3 -0.01 0.06 0.05 -0.04 1.46 1.53 3n29A1 LYS 295 HD2 -0.01 -0.01 -0.02 -0.04 1.69 1.61 3n29A1 LYS 295 HD3 -0.01 -0.01 -0.05 -0.04 1.68 1.57 3n29A1 LYS 295 HE2 -0.01 -0.03 -0.19 -0.04 2.99 2.73 3n29A1 LYS 295 HE3 -0.01 0.08 -0.13 -0.04 2.99 2.88 3n29A1 ILE 296 H -0.03 0.62 0.37 -0.55 8.25 8.66 3n29A1 ILE 296 HA -0.01 0.13 0.82 -0.75 4.18 4.37 3n29A1 ILE 296 HB -0.05 -0.02 -0.41 -0.04 1.89 1.37 3n29A1 ILE 296 HG12 -0.03 0.08 -0.29 -0.04 1.49 1.21 3n29A1 ILE 296 HG13 -0.03 -0.08 -0.19 -0.04 1.21 0.87 3n29A1 ILE 296 HG23 -0.01 -0.01 -0.12 -0.04 0.93 0.75 3n29A1 ILE 296 HD13 0.00 0.04 -0.16 -0.04 0.88 0.72 3n29A1 SER 297 H -0.02 0.46 0.36 -0.55 8.46 8.71 3n29A1 SER 297 HA -0.01 0.07 0.42 -0.75 4.49 4.22 3n29A1 SER 297 HB2 -0.01 -0.08 0.16 -0.04 3.95 3.98 3n29A1 SER 297 HB3 -0.01 0.11 -0.09 -0.04 3.93 3.89 3n29A1 ASP 298 H -0.01 0.16 0.13 -0.55 8.40 8.13 3n29A1 ASP 298 HA -0.01 0.15 0.87 -0.75 4.63 4.88 3n29A1 ASP 298 HB2 -0.01 -0.02 0.05 -0.04 2.71 2.68 3n29A1 ASP 298 HB3 -0.01 0.11 -0.01 -0.04 2.70 2.75 3n29A1 LEU 299 H -0.01 0.11 0.11 -0.55 8.37 8.03 3n29A1 LEU 299 HA -0.01 -0.01 0.39 -0.75 4.35 3.96 3n29A1 LEU 299 HB2 -0.01 -0.03 0.08 -0.04 1.64 1.63 3n29A1 LEU 299 HB3 -0.03 0.01 0.08 -0.04 1.64 1.66 3n29A1 LEU 299 HG -0.06 0.27 -0.13 -0.04 1.64 1.67 3n29A1 LEU 299 HD13 -0.01 -0.05 -0.23 -0.04 0.93 0.60 3n29A1 LEU 299 HD23 -0.04 0.00 -0.04 -0.04 0.89 0.77 3n29A1 LYS 300 H -0.03 0.06 0.11 -0.55 8.42 8.01 3n29A1 LYS 300 HA -0.03 0.23 0.85 -0.75 4.32 4.62 3n29A1 LYS 300 HB2 -0.02 -0.02 -0.00 -0.04 1.87 1.79 3n29A1 LYS 300 HB3 -0.02 -0.12 0.12 -0.04 1.79 1.73 3n29A1 LYS 300 HG2 -0.01 0.05 -0.03 -0.04 1.46 1.43 3n29A1 LYS 300 HG3 -0.01 0.08 -0.03 -0.04 1.46 1.45 3n29A1 LYS 300 HD2 -0.01 -0.01 -0.03 -0.04 1.69 1.61 3n29A1 LYS 300 HD3 -0.01 -0.03 -0.00 -0.04 1.68 1.60 3n29A1 LYS 300 HE2 -0.01 0.03 -0.02 -0.04 2.99 2.95 3n29A1 LYS 300 HE3 -0.00 0.01 -0.02 -0.04 2.99 2.93 3n29A1 GLU 301 H -0.03 0.13 0.12 -0.55 8.60 8.26 3n29A1 GLU 301 HA -0.06 0.10 0.14 -0.75 4.29 3.73 3n29A1 GLU 301 HB2 -0.03 -0.04 0.14 -0.04 2.09 2.12 3n29A1 GLU 301 HB3 -0.03 0.05 0.05 -0.04 1.99 2.02 3n29A1 GLU 301 HG2 -0.02 0.03 0.05 -0.04 2.34 2.36 3n29A1 GLU 301 HG3 -0.02 0.05 0.05 -0.04 2.34 2.37 3n29A1 ASN 302 H -0.06 0.00 -0.13 -0.55 8.53 7.79 3n29A1 ASN 302 HA -0.15 0.24 0.75 -0.75 4.76 4.85 3n29A1 ASN 302 HB2 -0.03 -0.05 0.08 -0.04 2.88 2.85 3n29A1 ASN 302 HB3 -0.02 0.06 0.21 -0.04 2.79 2.99 3n29A1 ASN 302 HD21 -0.00 0.00 -0.01 -0.04 7.03 6.99 3n29A1 ASN 302 HD22 -0.00 -0.00 0.02 -0.04 7.74 7.71 3n29A1 GLU 303 H -0.19 0.40 -0.36 -0.55 8.60 7.90 3n29A1 GLU 303 HA -0.14 0.30 0.99 -0.75 4.29 4.68 3n29A1 GLU 303 HB2 -0.07 0.01 -0.03 -0.04 2.09 1.96 3n29A1 GLU 303 HB3 0.02 -0.04 0.01 -0.04 1.99 1.93 3n29A1 GLU 303 HG2 0.02 0.08 -0.26 -0.04 2.34 2.14 3n29A1 GLU 303 HG3 -0.04 -0.15 -0.32 -0.04 2.34 1.79 3n29A1 PHE 304 H 0.22 0.65 0.28 -0.55 8.34 8.94 3n29A1 PHE 304 HA 0.02 0.15 0.85 -0.75 4.62 4.89 3n29A1 PHE 304 HB2 0.28 -0.00 -0.06 -0.04 3.15 3.33 3n29A1 PHE 304 HB3 0.03 0.00 -0.04 -0.04 3.06 3.02 3n29A1 PHE 304 HD2 0.07 0.01 -0.30 -0.04 7.28 7.02 3n29A1 PHE 304 HE2 0.04 0.09 -0.11 -0.04 7.38 7.35 3n29A1 PHE 304 HZ 0.03 -0.00 -0.07 -0.04 7.32 7.24 3n29A1 ALA 305 H 0.03 0.18 0.16 -0.55 8.40 8.21 3n29A1 ALA 305 HA 0.21 0.27 0.89 -0.75 4.34 4.95 3n29A1 ALA 305 HB3 0.03 -0.01 0.02 -0.04 1.41 1.40 3n29A1 TYR 306 H 0.43 0.73 0.40 -0.55 8.29 9.30 3n29A1 TYR 306 HA 0.12 0.26 0.83 -0.75 4.56 5.02 3n29A1 TYR 306 HB2 0.29 -0.03 -0.00 -0.04 3.06 3.27 3n29A1 TYR 306 HB3 0.11 0.04 -0.14 -0.04 2.98 2.95 3n29A1 TYR 306 HD2 0.14 0.03 -0.28 -0.04 7.15 7.00 3n29A1 TYR 306 HE2 -0.00 0.05 -0.09 -0.04 6.85 6.76 3n29A1 LEU 307 H 0.18 0.58 0.32 -0.55 8.37 8.90 3n29A1 LEU 307 HA 0.20 0.20 0.93 -0.75 4.35 4.92 3n29A1 LEU 307 HB2 0.11 0.02 0.19 -0.04 1.64 1.92 3n29A1 LEU 307 HB3 0.11 0.02 -0.01 -0.04 1.64 1.72 3n29A1 LEU 307 HG 0.08 -0.04 -0.01 -0.04 1.64 1.63 3n29A1 LEU 307 HD13 0.05 0.01 -0.05 -0.04 0.93 0.90 3n29A1 LEU 307 HD23 0.07 0.01 -0.13 -0.04 0.89 0.80 3n29A1 LEU 308 H 0.32 0.57 0.31 -0.55 8.37 9.03 3n29A1 LEU 308 HA 0.13 0.21 0.95 -0.75 4.35 4.89 3n29A1 LEU 308 HB2 0.30 -0.06 0.14 -0.04 1.64 1.98 3n29A1 LEU 308 HB3 0.20 -0.01 0.01 -0.04 1.64 1.79 3n29A1 LEU 308 HG 0.30 0.06 -0.11 -0.04 1.64 1.85 3n29A1 LEU 308 HD13 -0.38 -0.01 -0.14 -0.04 0.93 0.36 3n29A1 LEU 308 HD23 0.06 0.01 -0.14 -0.04 0.89 0.78 3n29A1 THR 309 H 0.08 0.59 0.39 -0.55 8.28 8.80 3n29A1 THR 309 HA 0.06 -0.03 1.09 -0.75 4.39 4.75 3n29A1 THR 309 HB 0.03 0.18 0.21 -0.04 4.32 4.71 3n29A1 THR 309 HG23 0.07 -0.02 -0.34 -0.04 1.22 0.89 3n29A1 GLY 310 H 0.01 0.66 0.33 -0.55 8.43 8.87 3n29A1 GLY 310 HA2 -0.01 0.26 0.65 -0.51 4.01 4.39 3n29A1 GLY 310 HA3 -0.04 -0.29 0.43 -0.51 4.01 3.61 3n29A1 ASN 311 H -0.05 0.16 0.20 -0.55 8.53 8.29 3n29A1 ASN 311 HA -0.03 0.23 0.62 -0.75 4.76 4.82 3n29A1 ASN 311 HB2 -0.04 -0.02 0.12 -0.04 2.88 2.91 3n29A1 ASN 311 HB3 -0.02 0.26 0.11 -0.04 2.79 3.09 3n29A1 ASN 311 HD21 0.02 0.11 -0.19 -0.04 7.03 6.93 3n29A1 ASN 311 HD22 -0.01 0.01 -0.02 -0.04 7.74 7.68 3n29A1 THR 312 H -0.07 -0.11 -0.04 -0.55 8.28 7.51 3n29A1 THR 312 HA -0.13 0.21 0.69 -0.75 4.39 4.41 3n29A1 THR 312 HB -0.14 -0.00 0.10 -0.04 4.32 4.23 3n29A1 THR 312 HG23 -0.08 0.00 -0.03 -0.04 1.22 1.07 3n29A1 CYS 313 H -0.14 0.12 0.11 -0.55 8.50 8.04 3n29A1 CYS 313 HA -0.04 0.26 0.65 -0.75 4.58 4.69 3n29A1 CYS 313 HB2 -0.09 -0.05 0.10 -0.04 2.97 2.89 3n29A1 CYS 313 HB3 -0.04 0.02 0.14 -0.04 2.97 3.05 3n29A1 LEU 314 H -0.01 -0.04 -0.46 -0.55 8.37 7.32 3n29A1 LEU 314 HA 0.04 0.12 0.31 -0.75 4.35 4.06 3n29A1 LEU 314 HB2 0.05 -0.07 -0.05 -0.04 1.64 1.53 3n29A1 LEU 314 HB3 0.06 -0.04 -0.06 -0.04 1.64 1.55 3n29A1 LEU 314 HG 0.17 -0.07 -0.04 -0.04 1.64 1.65 3n29A1 LEU 314 HD13 0.22 0.00 -0.07 -0.04 0.93 1.04 3n29A1 LEU 314 HD23 0.19 0.04 -0.07 -0.04 0.89 1.00 3n29A1 ALA 315 H 0.02 0.16 0.15 -0.55 8.40 8.19 3n29A1 ALA 315 HA 0.01 0.15 0.43 -0.75 4.34 4.18 3n29A1 ALA 315 HB3 0.01 0.01 0.08 -0.04 1.41 1.48 3n29A1 GLY 316 H 0.02 0.03 -0.23 -0.55 8.43 7.70 3n29A1 GLY 316 HA2 0.01 0.18 0.40 -0.51 4.01 4.08 3n29A1 GLY 316 HA3 0.01 0.02 0.26 -0.51 4.01 3.79 3n29A1 ASP 317 H 0.01 0.42 -0.66 -0.55 8.40 7.62 3n29A1 ASP 317 HA -0.01 0.01 0.64 -0.75 4.63 4.51 3n29A1 ASP 317 HB2 0.01 -0.03 0.04 -0.04 2.71 2.68 3n29A1 ASP 317 HB3 -0.01 0.24 0.19 -0.04 2.70 3.08 3n29A1 VAL 318 H 0.00 0.58 0.10 -0.55 8.24 8.37 3n29A1 VAL 318 HA 0.05 0.12 0.91 -0.75 4.13 4.45 3n29A1 VAL 318 HB 0.02 0.04 0.02 -0.04 2.12 2.17 3n29A1 VAL 318 HG13 0.06 0.00 -0.11 -0.04 0.97 0.88 3n29A1 VAL 318 HG23 0.03 0.00 -0.24 -0.04 0.95 0.70 3n29A1 MET 319 H 0.11 0.75 0.34 -0.55 8.47 9.12 3n29A1 MET 319 HA 0.02 0.11 0.71 -0.75 4.52 4.61 3n29A1 MET 319 HB2 0.30 0.09 0.04 -0.04 2.15 2.54 3n29A1 MET 319 HB3 0.28 -0.00 0.01 -0.04 2.03 2.27 3n29A1 MET 319 HG2 -0.30 0.01 -0.16 -0.04 2.63 2.15 3n29A1 MET 319 HG3 -0.21 -0.03 -0.11 -0.04 2.56 2.18 3n29A1 MET 319 HE3 -0.17 -0.04 -0.43 -0.04 2.10 1.43 3n29A1 GLY 320 H 0.18 0.28 0.17 -0.55 8.43 8.52 3n29A1 GLY 320 HA2 0.01 -0.02 0.15 -0.51 4.01 3.63 3n29A1 GLY 320 HA3 -0.09 0.18 0.74 -0.51 4.01 4.33 3n29A1 GLU 321 H -0.16 0.74 0.32 -0.55 8.60 8.97 3n29A1 GLU 321 HA 0.17 0.28 1.08 -0.75 4.29 5.07 3n29A1 GLU 321 HB2 0.02 0.02 -0.01 -0.04 2.09 2.07 3n29A1 GLU 321 HB3 -0.03 -0.12 0.15 -0.04 1.99 1.94 3n29A1 GLU 321 HG2 0.07 0.02 -0.16 -0.04 2.34 2.23 3n29A1 GLU 321 HG3 0.09 -0.00 -0.21 -0.04 2.34 2.17 3n29A1 TYR 322 H 0.37 0.79 0.40 -0.55 8.29 9.29 3n29A1 TYR 322 HA -0.01 0.18 1.09 -0.75 4.56 5.06 3n29A1 TYR 322 HB2 0.11 -0.00 -0.04 -0.04 3.06 3.09 3n29A1 TYR 322 HB3 -0.31 0.03 -0.08 -0.04 2.98 2.58 3n29A1 TYR 322 HD2 0.02 0.03 -0.32 -0.04 7.15 6.83 3n29A1 TYR 322 HE2 0.10 0.04 -0.23 -0.04 6.85 6.71 3n29A1 ALA 323 H -0.01 0.62 0.36 -0.55 8.40 8.82 3n29A1 ALA 323 HA 0.18 0.24 0.84 -0.75 4.34 4.84 3n29A1 ALA 323 HB3 0.02 -0.02 0.00 -0.04 1.41 1.37 3n29A1 PHE 324 H 0.46 0.72 0.40 -0.55 8.34 9.36 3n29A1 PHE 324 HA 0.11 0.25 0.96 -0.75 4.62 5.18 3n29A1 PHE 324 HB2 0.27 0.10 0.12 -0.04 3.15 3.60 3n29A1 PHE 324 HB3 0.12 -0.05 0.15 -0.04 3.06 3.24 3n29A1 PHE 324 HD2 0.16 0.09 -0.07 -0.04 7.28 7.42 3n29A1 PHE 324 HE2 -0.02 0.01 -0.13 -0.04 7.38 7.20 3n29A1 PHE 324 HZ -0.24 -0.06 -0.15 -0.04 7.32 6.83 3n29A1 ASP 325 H 0.24 0.23 0.21 -0.55 8.40 8.54 3n29A1 ASP 325 HA 0.17 0.13 0.63 -0.75 4.63 4.80 3n29A1 ASP 325 HB2 0.15 -0.01 0.10 -0.04 2.71 2.91 3n29A1 ASP 325 HB3 0.13 0.02 0.04 -0.04 2.70 2.85 3n29A1 LYS 326 H 0.31 0.14 -0.08 -0.55 8.42 8.24 3n29A1 LYS 326 HA 0.23 0.16 0.48 -0.75 4.32 4.44 3n29A1 LYS 326 HB2 -0.02 0.03 0.08 -0.04 1.87 1.92 3n29A1 LYS 326 HB3 0.10 0.08 -0.00 -0.04 1.79 1.93 3n29A1 LYS 326 HG2 0.10 -0.10 -0.14 -0.04 1.46 1.29 3n29A1 LYS 326 HG3 0.04 0.00 -0.10 -0.04 1.46 1.36 3n29A1 LYS 326 HD2 -0.01 0.05 -0.04 -0.04 1.69 1.65 3n29A1 LYS 326 HD3 0.03 -0.02 -0.05 -0.04 1.68 1.61 3n29A1 LYS 326 HE2 0.03 -0.04 -0.03 -0.04 2.99 2.91 3n29A1 LYS 326 HE3 -0.04 0.02 -0.07 -0.04 2.99 2.86 3n29A1 LYS 327 H -0.48 0.12 0.08 -0.55 8.42 7.58 3n29A1 LYS 327 HA -0.16 0.02 0.42 -0.75 4.32 3.85 3n29A1 LYS 327 HB2 -0.26 -0.02 0.04 -0.04 1.87 1.60 3n29A1 LYS 327 HB3 -0.13 0.13 0.02 -0.04 1.79 1.77 3n29A1 LYS 327 HG2 -0.53 0.00 0.01 -0.04 1.46 0.90 3n29A1 LYS 327 HG3 -1.29 -0.03 0.02 -0.04 1.46 0.13 3n29A1 LYS 327 HD2 -0.23 -0.01 0.01 -0.04 1.69 1.42 3n29A1 LYS 327 HD3 -0.14 0.02 -0.00 -0.04 1.68 1.52 3n29A1 LYS 327 HE2 -0.20 0.01 -0.01 -0.04 2.99 2.75 3n29A1 LYS 327 HE3 -0.06 -0.00 -0.00 -0.04 2.99 2.89 3n29A1 LEU 328 H -0.27 0.08 0.11 -0.55 8.37 7.74 3n29A1 LEU 328 HA -0.33 0.12 0.70 -0.75 4.35 4.08 3n29A1 LEU 328 HB2 -0.92 -0.03 -0.02 -0.04 1.64 0.63 3n29A1 LEU 328 HB3 -0.51 0.01 -0.07 -0.04 1.64 1.03 3n29A1 LEU 328 HG -1.34 0.03 -0.04 -0.04 1.64 0.25 3n29A1 LEU 328 HD13 -1.14 -0.01 -0.11 -0.04 0.93 -0.37 3n29A1 LEU 328 HD23 -0.77 0.02 -0.08 -0.04 0.89 0.02 3n29A1 LYS 329 H -0.19 0.19 0.13 -0.55 8.42 7.99 3n29A1 LYS 329 HA -0.10 0.19 0.80 -0.75 4.32 4.46 3n29A1 LYS 329 HB2 -0.08 -0.02 -0.09 -0.04 1.87 1.63 3n29A1 LYS 329 HB3 -0.07 0.06 0.01 -0.04 1.79 1.75 3n29A1 LYS 329 HG2 -0.08 0.06 -0.19 -0.04 1.46 1.22 3n29A1 LYS 329 HG3 -0.10 0.00 -0.38 -0.04 1.46 0.94 3n29A1 LYS 329 HD2 -0.05 0.02 -0.07 -0.04 1.69 1.54 3n29A1 LYS 329 HD3 -0.05 0.00 -0.05 -0.04 1.68 1.54 3n29A1 LYS 329 HE2 -0.04 -0.01 -0.05 -0.04 2.99 2.85 3n29A1 LYS 329 HE3 -0.07 0.02 -0.10 -0.04 2.99 2.80 3n29A1 ILE 330 H -0.06 0.14 0.05 -0.55 8.25 7.83 3n29A1 ILE 330 HA -0.07 0.05 0.29 -0.75 4.18 3.70 3n29A1 ILE 330 HB -0.04 -0.03 0.10 -0.04 1.89 1.89 3n29A1 ILE 330 HG12 -0.04 -0.00 -0.35 -0.04 1.49 1.06 3n29A1 ILE 330 HG13 -0.04 -0.09 -0.04 -0.04 1.21 0.99 3n29A1 ILE 330 HG23 -0.03 0.04 -0.09 -0.04 0.93 0.81 3n29A1 ILE 330 HD13 -0.02 0.00 0.06 -0.04 0.88 0.88 3n29A1 GLY 331 H -0.06 0.59 0.33 -0.55 8.43 8.74 3n29A1 GLY 331 HA2 -0.04 0.01 0.36 -0.51 4.01 3.83 3n29A1 GLY 331 HA3 -0.04 0.13 0.66 -0.51 4.01 4.24 3n29A1 ASP 332 H -0.09 0.54 -0.23 -0.55 8.40 8.08 3n29A1 ASP 332 HA -0.07 0.06 0.52 -0.75 4.63 4.39 3n29A1 ASP 332 HB2 -0.18 -0.00 0.11 -0.04 2.71 2.60 3n29A1 ASP 332 HB3 -0.15 0.05 -0.00 -0.04 2.70 2.56 3n29A1 LYS 333 H -0.06 0.13 0.19 -0.55 8.42 8.12 3n29A1 LYS 333 HA -0.09 0.29 0.89 -0.75 4.32 4.65 3n29A1 LYS 333 HB2 -0.04 -0.08 0.08 -0.04 1.87 1.78 3n29A1 LYS 333 HB3 -0.10 -0.00 -0.06 -0.04 1.79 1.59 3n29A1 LYS 333 HG2 -0.05 0.05 -0.03 -0.04 1.46 1.39 3n29A1 LYS 333 HG3 -0.05 -0.08 -0.10 -0.04 1.46 1.19 3n29A1 LYS 333 HD2 -0.12 -0.06 -0.17 -0.04 1.69 1.30 3n29A1 LYS 333 HD3 -0.07 0.04 -0.18 -0.04 1.68 1.43 3n29A1 LYS 333 HE2 -0.05 -0.01 -0.24 -0.04 2.99 2.64 3n29A1 LYS 333 HE3 -0.06 0.04 -0.18 -0.04 2.99 2.75 3n29A1 ILE 334 H -0.13 0.63 0.23 -0.55 8.25 8.44 3n29A1 ILE 334 HA -0.17 0.16 0.73 -0.75 4.18 4.14 3n29A1 ILE 334 HB -0.20 -0.07 -0.00 -0.04 1.89 1.58 3n29A1 ILE 334 HG12 -0.17 -0.01 -0.35 -0.04 1.49 0.92 3n29A1 ILE 334 HG13 -0.15 -0.02 -0.20 -0.04 1.21 0.79 3n29A1 ILE 334 HG23 -0.70 -0.00 -0.23 -0.04 0.93 -0.04 3n29A1 ILE 334 HD13 -0.23 0.03 -0.16 -0.04 0.88 0.49 3n29A1 VAL 335 H -0.21 0.24 0.07 -0.55 8.24 7.80 3n29A1 VAL 335 HA -0.17 0.25 0.86 -0.75 4.13 4.32 3n29A1 VAL 335 HB -0.02 -0.07 0.15 -0.04 2.12 2.14 3n29A1 VAL 335 HG13 0.06 -0.01 -0.20 -0.04 0.97 0.79 3n29A1 VAL 335 HG23 0.03 0.03 -0.21 -0.04 0.95 0.76 3n29A1 PHE 336 H -0.01 0.77 0.24 -0.55 8.34 8.80 3n29A1 PHE 336 HA -0.03 0.21 0.83 -0.75 4.62 4.88 3n29A1 PHE 336 HB2 -0.04 -0.01 0.19 -0.04 3.15 3.25 3n29A1 PHE 336 HB3 -0.00 0.05 -0.02 -0.04 3.06 3.05 3n29A1 PHE 336 HD2 -0.06 0.12 -0.11 -0.04 7.28 7.20 3n29A1 PHE 336 HE2 -0.10 -0.01 -0.17 -0.04 7.38 7.06 3n29A1 PHE 336 HZ -0.07 -0.03 -0.18 -0.04 7.32 6.99 3n29A1 LEU 337 H 0.11 0.67 0.19 -0.55 8.37 8.79 3n29A1 LEU 337 HA 0.04 -0.02 0.21 -0.75 4.35 3.83 3n29A1 LEU 337 HB2 0.05 -0.01 0.01 -0.04 1.64 1.66 3n29A1 LEU 337 HB3 -0.00 -0.00 -0.04 -0.04 1.64 1.55 3n29A1 LEU 337 HG 0.00 0.03 -0.23 -0.04 1.64 1.40 3n29A1 LEU 337 HD13 0.01 -0.01 -0.15 -0.04 0.93 0.74 3n29A1 LEU 337 HD23 0.02 -0.01 -0.13 -0.04 0.89 0.73 3n29A1 ASP 338 H 0.00 0.17 0.20 -0.55 8.40 8.23 3n29A1 ASP 338 HA -0.05 -0.07 0.56 -0.75 4.63 4.31 3n29A1 ASP 338 HB2 -0.21 -0.02 -0.02 -0.04 2.71 2.42 3n29A1 ASP 338 HB3 -0.07 0.22 0.07 -0.04 2.70 2.87 3n29A1 GLN 339 H 0.06 0.46 0.19 -0.55 8.47 8.64 3n29A1 GLN 339 HA 0.02 0.29 0.90 -0.75 4.36 4.82 3n29A1 GLN 339 HB2 0.16 -0.10 -0.06 -0.04 2.15 2.11 3n29A1 GLN 339 HB3 0.22 0.03 0.10 -0.04 2.02 2.34 3n29A1 GLN 339 HG2 0.13 0.08 -0.82 -0.04 2.40 1.75 3n29A1 GLN 339 HG3 0.14 -0.07 -0.15 -0.04 2.39 2.27 3n29A1 GLN 339 HE21 0.22 -0.06 -0.03 -0.04 6.97 7.06 3n29A1 GLN 339 HE22 0.17 0.12 -0.12 -0.04 7.69 7.82 3n29A1 ILE 340 H 0.07 0.05 -0.05 -0.55 8.25 7.77 3n29A1 ILE 340 HA 0.06 0.23 0.88 -0.75 4.18 4.60 3n29A1 ILE 340 HB 0.22 0.06 0.00 -0.04 1.89 2.13 3n29A1 ILE 340 HG12 0.09 -0.09 -0.23 -0.04 1.49 1.22 3n29A1 ILE 340 HG13 0.03 0.04 -0.24 -0.04 1.21 0.99 3n29A1 ILE 340 HG23 0.11 -0.01 -0.02 -0.04 0.93 0.97 3n29A1 ILE 340 HD13 0.11 0.06 -0.40 -0.04 0.88 0.61 3n29A1 HIS 341 H -0.00 0.08 -0.04 -0.55 8.41 7.90 3n29A1 HIS 341 HA 0.14 0.29 0.75 -0.75 4.63 5.06 3n29A1 HIS 341 HB2 0.22 -0.04 -0.03 -0.04 3.26 3.37 3n29A1 HIS 341 HB3 0.22 -0.05 -0.07 -0.04 3.20 3.26 3n29A1 HIS 341 HD2 0.12 0.01 -0.13 -0.04 6.97 6.93 3n29A1 HIS 341 HE1 0.29 0.05 -0.03 -0.04 7.75 8.01 3n29A1 TYR 342 H -0.15 0.63 0.29 -0.55 8.29 8.51 3n29A1 TYR 342 HA 0.06 0.07 0.29 -0.75 4.56 4.22 3n29A1 TYR 342 HB2 0.12 0.09 -0.30 -0.04 3.06 2.93 3n29A1 TYR 342 HB3 0.08 0.03 0.12 -0.04 2.98 3.17 3n29A1 TYR 342 HD2 0.24 0.04 -0.11 -0.04 7.15 7.28 3n29A1 TYR 342 HE2 0.07 -0.08 -0.05 -0.04 6.85 6.74 3n29A1 THR 343 H -0.02 -0.02 -0.42 -0.55 8.28 7.27 3n29A1 THR 343 HA 0.07 0.21 0.79 -0.75 4.39 4.71 3n29A1 THR 343 HB 0.09 0.15 0.03 -0.04 4.32 4.54 3n29A1 THR 343 HG23 0.09 0.02 -0.13 -0.04 1.22 1.16 3n29A1 ILE 344 H -0.28 0.23 0.05 -0.55 8.25 7.69 3n29A1 ILE 344 HA -0.31 0.14 0.41 -0.75 4.18 3.68 3n29A1 ILE 344 HB -0.24 -0.08 0.11 -0.04 1.89 1.64 3n29A1 ILE 344 HG12 -1.21 0.08 0.07 -0.04 1.49 0.39 3n29A1 ILE 344 HG13 -1.02 0.03 0.15 -0.04 1.21 0.33 3n29A1 ILE 344 HG23 -0.21 0.01 -0.08 -0.04 0.93 0.61 3n29A1 ILE 344 HD13 -0.09 0.00 0.06 -0.04 0.88 0.81 3n29A1 VAL 345 H -0.14 -0.02 -0.24 -0.55 8.24 7.29 3n29A1 VAL 345 HA -0.13 0.07 0.25 -0.75 4.13 3.56 3n29A1 VAL 345 HB -0.12 0.07 0.04 -0.04 2.12 2.07 3n29A1 VAL 345 HG13 -0.19 -0.00 -0.17 -0.04 0.97 0.57 3n29A1 VAL 345 HG23 -0.12 0.00 -0.09 -0.04 0.95 0.70 3n29A1 LYS 346 H -0.03 0.48 -0.70 -0.55 8.42 7.61 3n29A1 LYS 346 HA -0.00 0.21 0.89 -0.75 4.32 4.66 3n29A1 LYS 346 HB2 0.03 -0.01 0.12 -0.04 1.87 1.96 3n29A1 LYS 346 HB3 0.04 -0.04 -0.24 -0.04 1.79 1.50 3n29A1 LYS 346 HG2 0.05 0.02 -0.34 -0.04 1.46 1.15 3n29A1 LYS 346 HG3 0.06 -0.02 -0.13 -0.04 1.46 1.33 3n29A1 LYS 346 HD2 0.17 -0.10 -0.15 -0.04 1.69 1.57 3n29A1 LYS 346 HD3 0.16 0.05 -0.08 -0.04 1.68 1.76 3n29A1 LYS 346 HE2 0.08 0.04 -0.05 -0.04 2.99 3.02 3n29A1 LYS 346 HE3 0.14 -0.05 -0.06 -0.04 2.99 2.99 3n29A1 ASN 347 H -0.03 0.30 0.00 -0.55 8.53 8.26 3n29A1 ASN 347 HA 0.06 0.18 0.84 -0.75 4.76 5.08 3n29A1 ASN 347 HB2 0.17 0.27 0.41 -0.04 2.88 3.68 3n29A1 ASN 347 HB3 0.09 -0.02 0.05 -0.04 2.79 2.86 3n29A1 ASN 347 HD21 0.00 -0.04 0.04 -0.04 7.03 7.00 3n29A1 ASN 347 HD22 0.24 -0.03 0.05 -0.04 7.74 7.96 3n29A1 THR 348 H 0.11 0.57 0.37 -0.55 8.28 8.79 3n29A1 THR 348 HA 0.04 0.23 0.95 -0.75 4.39 4.86 3n29A1 THR 348 HB 0.08 -0.05 0.10 -0.04 4.32 4.40 3n29A1 THR 348 HG23 0.02 0.07 -0.19 -0.04 1.22 1.07 3n29A1 THR 349 H 0.10 0.20 0.11 -0.55 8.28 8.14 3n29A1 THR 349 HA 0.09 0.31 0.66 -0.75 4.39 4.70 3n29A1 THR 349 HB 0.22 -0.05 0.12 -0.04 4.32 4.56 3n29A1 THR 349 HG23 0.03 0.03 -0.20 -0.04 1.22 1.04 3n29A1 PHE 350 H 0.22 0.12 -0.32 -0.55 8.34 7.80 3n29A1 PHE 350 HA 0.06 0.05 0.34 -0.75 4.62 4.31 3n29A1 PHE 350 HB2 0.01 0.07 0.03 -0.04 3.15 3.22 3n29A1 PHE 350 HB3 -0.03 -0.04 -0.03 -0.04 3.06 2.93 3n29A1 PHE 350 HD2 -0.00 -0.03 -0.04 -0.04 7.28 7.17 3n29A1 PHE 350 HE2 -0.00 -0.01 -0.03 -0.04 7.38 7.30 3n29A1 PHE 350 HZ -0.00 0.03 -0.04 -0.04 7.32 7.27 3n29A1 ASN 351 H -0.28 0.16 0.19 -0.55 8.53 8.05 3n29A1 ASN 351 HA -0.36 0.05 0.31 -0.75 4.76 4.01 3n29A1 ASN 351 HB2 -0.92 -0.11 -0.23 -0.04 2.88 1.58 3n29A1 ASN 351 HB3 -0.33 0.11 0.17 -0.04 2.79 2.69 3n29A1 ASN 351 HD21 -0.17 0.03 0.06 -0.04 7.03 6.90 3n29A1 ASN 351 HD22 -0.24 0.05 0.09 -0.04 7.74 7.60 3n29A1 GLY 352 H -0.17 0.37 -0.26 -0.55 8.43 7.83 3n29A1 GLY 352 HA2 -0.86 0.04 0.23 -0.51 4.01 2.90 3n29A1 GLY 352 HA3 -0.66 0.01 0.42 -0.51 4.01 3.27 3n29A1 ILE 353 H -0.13 0.32 -0.55 -0.55 8.25 7.33 3n29A1 ILE 353 HA -0.07 0.05 0.35 -0.75 4.18 3.75 3n29A1 ILE 353 HB -0.03 -0.02 -0.11 -0.04 1.89 1.68 3n29A1 ILE 353 HG12 -0.16 0.18 -0.05 -0.04 1.49 1.42 3n29A1 ILE 353 HG13 -0.13 -0.22 -0.19 -0.04 1.21 0.63 3n29A1 ILE 353 HG23 0.01 0.03 -0.21 -0.04 0.93 0.72 3n29A1 ILE 353 HD13 -0.11 0.03 -0.19 -0.04 0.88 0.56 3n29A1 ARG 354 H 0.00 0.10 0.13 -0.55 8.46 8.14 3n29A1 ARG 354 HA 0.03 -0.05 0.35 -0.75 4.34 3.91 3n29A1 ARG 354 HB2 0.01 -0.02 0.13 -0.04 1.90 1.98 3n29A1 ARG 354 HB3 0.03 0.02 0.13 -0.04 1.80 1.93 3n29A1 ARG 354 HG2 0.04 0.22 -0.17 -0.04 1.67 1.71 3n29A1 ARG 354 HG3 0.06 -0.11 -0.04 -0.04 1.67 1.54 3n29A1 ARG 354 HD2 0.02 0.07 -0.00 -0.04 3.22 3.27 3n29A1 ARG 354 HD3 0.03 -0.05 -0.01 -0.04 3.22 3.15 3n29A1 LEU 355 H 0.03 0.00 0.09 -0.55 8.37 7.94 3n29A1 LEU 355 HA -0.12 0.10 0.37 -0.75 4.35 3.94 3n29A1 LEU 355 HB2 -0.07 -0.15 -0.01 -0.04 1.64 1.37 3n29A1 LEU 355 HB3 -0.32 0.14 -0.12 -0.04 1.64 1.30 3n29A1 LEU 355 HG -0.07 0.04 -0.04 -0.04 1.64 1.53 3n29A1 LEU 355 HD13 -0.49 -0.03 -0.10 -0.04 0.93 0.27 3n29A1 LEU 355 HD23 -0.15 0.00 -0.14 -0.04 0.89 0.57 3n29A1 PRO 356 HA -0.10 0.34 0.46 -0.51 4.44 4.63 3n29A1 PRO 356 HB2 -0.35 -0.03 -0.05 -0.04 2.28 1.81 3n29A1 PRO 356 HB3 -0.43 -0.10 -0.26 -0.04 2.02 1.19 3n29A1 PRO 356 HG2 -0.76 -0.01 0.03 -0.04 2.03 1.25 3n29A1 PRO 356 HG3 -0.79 0.05 0.03 -0.04 2.03 1.28 3n29A1 PRO 356 HD2 -0.15 0.06 0.17 -0.04 3.68 3.72 3n29A1 PRO 356 HD3 -1.07 0.14 0.18 -0.04 3.65 2.86 3n29A1 ASN 357 H 0.04 0.48 0.34 -0.55 8.53 8.84 3n29A1 ASN 357 HA 0.15 0.04 0.64 -0.75 4.76 4.84 3n29A1 ASN 357 HB2 0.01 0.02 0.16 -0.04 2.88 3.03 3n29A1 ASN 357 HB3 -0.04 0.08 0.23 -0.04 2.79 3.02 3n29A1 ASN 357 HD21 0.00 -0.01 0.03 -0.04 7.03 7.01 3n29A1 ASN 357 HD22 -0.01 0.04 0.04 -0.04 7.74 7.76 3n29A1 LEU 358 H -0.06 0.53 0.41 -0.55 8.37 8.70 3n29A1 LEU 358 HA 0.24 0.23 1.03 -0.75 4.35 5.10 3n29A1 LEU 358 HB2 -0.18 -0.16 0.28 -0.04 1.64 1.53 3n29A1 LEU 358 HB3 -0.30 -0.04 0.11 -0.04 1.64 1.37 3n29A1 LEU 358 HG 0.19 0.07 0.06 -0.04 1.64 1.92 3n29A1 LEU 358 HD13 -0.32 -0.02 0.01 -0.04 0.93 0.56 3n29A1 LEU 358 HD23 0.17 0.03 -0.10 -0.04 0.89 0.95 3n29A1 MET 359 H 0.28 0.71 0.43 -0.55 8.47 9.34 3n29A1 MET 359 HA 0.12 0.11 1.12 -0.75 4.52 5.11 3n29A1 MET 359 HB2 0.09 -0.02 -0.05 -0.04 2.15 2.13 3n29A1 MET 359 HB3 0.08 0.05 0.00 -0.04 2.03 2.12 3n29A1 MET 359 HG2 0.03 -0.00 -0.21 -0.04 2.63 2.41 3n29A1 MET 359 HG3 0.05 -0.02 -0.43 -0.04 2.56 2.12 3n29A1 MET 359 HE3 0.02 0.01 -0.21 -0.04 2.10 1.88 3n29A1 LEU 360 H 0.11 0.66 0.35 -0.55 8.37 8.95 3n29A1 LEU 360 HA 0.06 0.24 0.96 -0.75 4.35 4.86 3n29A1 LEU 360 HB2 0.22 -0.04 -0.09 -0.04 1.64 1.68 3n29A1 LEU 360 HB3 0.11 0.01 0.13 -0.04 1.64 1.85 3n29A1 LEU 360 HG 0.07 -0.03 -0.46 -0.04 1.64 1.17 3n29A1 LEU 360 HD13 0.03 0.03 -0.12 -0.04 0.93 0.84 3n29A1 LEU 360 HD23 0.11 0.02 -0.05 -0.04 0.89 0.93 3n29A1 LEU 361 H 0.05 0.68 0.28 -0.55 8.37 8.84 3n29A1 LEU 361 HA 0.05 0.19 0.80 -0.75 4.35 4.64 3n29A1 LEU 361 HB2 0.08 0.03 0.00 -0.04 1.64 1.71 3n29A1 LEU 361 HB3 0.05 -0.11 0.20 -0.04 1.64 1.75 3n29A1 LEU 361 HG 0.03 -0.01 -0.18 -0.04 1.64 1.45 3n29A1 LEU 361 HD13 0.05 0.04 -0.30 -0.04 0.93 0.68 3n29A1 LEU 361 HD23 0.03 -0.01 -0.03 -0.04 0.89 0.84 3n29A1 ASP 362 H 0.02 0.78 0.25 -0.55 8.40 8.89 3n29A1 ASP 362 HA 0.07 0.07 0.36 -0.75 4.63 4.37 3n29A1 ASP 362 HB2 0.03 -0.07 0.20 -0.04 2.71 2.82 3n29A1 ASP 362 HB3 0.03 0.12 0.08 -0.04 2.70 2.89 3n29A1 HIS 363 H 0.11 0.22 0.18 -0.55 8.41 8.37 3n29A1 HIS 363 HA 0.03 0.07 0.44 -0.75 4.63 4.41 3n29A1 HIS 363 HB2 0.03 0.08 0.13 -0.04 3.26 3.45 3n29A1 HIS 363 HB3 0.04 -0.01 0.11 -0.04 3.20 3.29 3n29A1 HIS 363 HD2 0.02 0.04 -0.16 -0.04 6.97 6.83 3n29A1 HIS 363 HE1 0.03 0.05 0.01 -0.04 7.75 7.79 3n29A1 LYS 364 H -0.38 -0.01 -0.31 -0.55 8.42 7.17 3n29A1 LYS 364 HA -0.06 0.23 0.74 -0.75 4.32 4.48 3n29A1 LYS 364 HB2 -0.20 -0.07 0.02 -0.04 1.87 1.59 3n29A1 LYS 364 HB3 -0.09 0.07 0.12 -0.04 1.79 1.85 3n29A1 LYS 364 HG2 -0.07 0.08 -0.00 -0.04 1.46 1.43 3n29A1 LYS 364 HG3 -0.54 -0.10 -0.08 -0.04 1.46 0.70 3n29A1 LYS 364 HD2 -0.14 -0.02 -0.01 -0.04 1.69 1.48 3n29A1 LYS 364 HD3 -0.06 0.03 0.00 -0.04 1.68 1.61 3n29A1 LYS 364 HE2 0.03 0.02 -0.01 -0.04 2.99 2.99 3n29A1 LYS 364 HE3 0.10 -0.01 -0.02 -0.04 2.99 3.02 3n29A1 ASN 365 H -0.03 0.43 -0.35 -0.55 8.53 8.04 3n29A1 ASN 365 HA 0.01 0.05 0.20 -0.75 4.76 4.26 3n29A1 ASN 365 HB2 -0.01 0.18 -0.11 -0.04 2.88 2.91 3n29A1 ASN 365 HB3 0.00 -0.01 0.25 -0.04 2.79 3.00 3n29A1 ASN 365 HD21 0.01 -0.03 -0.04 -0.04 7.03 6.92 3n29A1 ASN 365 HD22 -0.00 0.03 -0.10 -0.04 7.74 7.63 3n29A1 GLU 366 H -0.04 -0.08 -0.25 -0.55 8.60 7.69 3n29A1 GLU 366 HA 0.01 0.21 0.82 -0.75 4.29 4.57 3n29A1 GLU 366 HB2 -0.04 -0.14 0.01 -0.04 2.09 1.88 3n29A1 GLU 366 HB3 -0.01 0.08 -0.04 -0.04 1.99 1.99 3n29A1 GLU 366 HG2 -0.01 0.10 -0.13 -0.04 2.34 2.26 3n29A1 GLU 366 HG3 -0.04 0.06 -0.35 -0.04 2.34 1.97 3n29A1 LEU 367 H 0.03 0.22 0.14 -0.55 8.37 8.21 3n29A1 LEU 367 HA 0.05 0.13 0.63 -0.75 4.35 4.41 3n29A1 LEU 367 HB2 0.07 0.11 0.06 -0.04 1.64 1.83 3n29A1 LEU 367 HB3 0.05 -0.02 0.14 -0.04 1.64 1.78 3n29A1 LEU 367 HG 0.05 -0.03 -0.23 -0.04 1.64 1.39 3n29A1 LEU 367 HD13 0.09 0.01 -0.20 -0.04 0.93 0.79 3n29A1 LEU 367 HD23 0.08 0.05 -0.07 -0.04 0.89 0.90 3n29A1 GLN 368 H 0.05 0.67 0.41 -0.55 8.47 9.06 3n29A1 GLN 368 HA 0.03 0.17 0.87 -0.75 4.36 4.67 3n29A1 GLN 368 HB2 0.06 -0.05 0.17 -0.04 2.15 2.29 3n29A1 GLN 368 HB3 0.04 0.08 -0.02 -0.04 2.02 2.08 3n29A1 GLN 368 HG2 0.02 0.05 -0.09 -0.04 2.40 2.34 3n29A1 GLN 368 HG3 0.03 0.03 -0.15 -0.04 2.39 2.26 3n29A1 GLN 368 HE21 0.04 0.01 0.00 -0.04 6.97 6.98 3n29A1 GLN 368 HE22 0.02 -0.07 -0.00 -0.04 7.69 7.59 3n29A1 MET 369 H 0.01 0.20 0.11 -0.55 8.47 8.24 3n29A1 MET 369 HA 0.01 0.10 0.75 -0.75 4.52 4.63 3n29A1 MET 369 HB2 -0.01 0.01 0.07 -0.04 2.15 2.18 3n29A1 MET 369 HB3 -0.02 0.02 0.13 -0.04 2.03 2.12 3n29A1 MET 369 HG2 -0.05 0.00 -0.09 -0.04 2.63 2.45 3n29A1 MET 369 HG3 -0.08 -0.03 -0.41 -0.04 2.56 2.00 3n29A1 MET 369 HE3 -0.02 0.01 -0.01 -0.04 2.10 2.03 3n29A1 ILE 370 H 0.00 0.52 0.38 -0.55 8.25 8.61 3n29A1 ILE 370 HA -0.03 0.15 0.76 -0.75 4.18 4.30 3n29A1 ILE 370 HB -0.11 0.00 -0.02 -0.04 1.89 1.72 3n29A1 ILE 370 HG12 0.13 0.02 -0.12 -0.04 1.49 1.48 3n29A1 ILE 370 HG13 0.30 -0.09 -0.16 -0.04 1.21 1.22 3n29A1 ILE 370 HG23 -0.17 -0.05 -0.05 -0.04 0.93 0.62 3n29A1 ILE 370 HD13 0.08 0.03 -0.10 -0.04 0.88 0.84 3n29A1 ARG 371 H -0.17 0.44 0.29 -0.55 8.46 8.47 3n29A1 ARG 371 HA -0.27 0.21 0.83 -0.75 4.34 4.35 3n29A1 ARG 371 HB2 -0.45 -0.11 0.17 -0.04 1.90 1.47 3n29A1 ARG 371 HB3 -0.88 0.06 -0.04 -0.04 1.80 0.90 3n29A1 ARG 371 HG2 -0.20 0.27 -0.40 -0.04 1.67 1.29 3n29A1 ARG 371 HG3 -0.23 -0.13 -0.11 -0.04 1.67 1.16 3n29A1 ARG 371 HD2 -0.02 -0.01 -0.03 -0.04 3.22 3.12 3n29A1 ARG 371 HD3 -0.13 0.07 0.01 -0.04 3.22 3.12 3n29A1 GLU 372 H -0.29 0.27 0.09 -0.55 8.60 8.13 3n29A1 GLU 372 HA -0.24 0.12 0.92 -0.75 4.29 4.33 3n29A1 GLU 372 HB2 -0.10 -0.02 0.02 -0.04 2.09 1.95 3n29A1 GLU 372 HB3 -0.11 0.00 0.13 -0.04 1.99 1.97 3n29A1 GLU 372 HG2 -0.04 0.17 -0.12 -0.04 2.34 2.31 3n29A1 GLU 372 HG3 -0.05 -0.00 0.08 -0.04 2.34 2.34 3n29A1 PHE 373 H -0.03 0.17 0.05 -0.55 8.34 7.97 3n29A1 PHE 373 HA -0.00 0.13 0.57 -0.75 4.62 4.56 3n29A1 PHE 373 HB2 0.00 0.10 -0.02 -0.04 3.15 3.19 3n29A1 PHE 373 HB3 0.01 -0.03 0.07 -0.04 3.06 3.08 3n29A1 PHE 373 HD2 -0.01 0.05 -0.20 -0.04 7.28 7.08 3n29A1 PHE 373 HE2 -0.02 0.08 -0.03 -0.04 7.38 7.36 3n29A1 PHE 373 HZ -0.08 -0.05 -0.04 -0.04 7.32 7.10 3n29A1 SER 374 H 0.20 0.17 0.21 -0.55 8.46 8.49 3n29A1 SER 374 HA 0.12 0.21 0.53 -0.75 4.49 4.60 3n29A1 SER 374 HB2 0.11 -0.05 0.18 -0.04 3.95 4.15 3n29A1 SER 374 HB3 0.07 0.20 -0.15 -0.04 3.93 4.01 3n29A1 TYR 375 H 0.22 0.25 0.16 -0.55 8.29 8.37 3n29A1 TYR 375 HA 0.10 0.12 0.43 -0.75 4.56 4.46 3n29A1 TYR 375 HB2 0.05 0.09 0.16 -0.04 3.06 3.32 3n29A1 TYR 375 HB3 0.05 -0.02 0.16 -0.04 2.98 3.13 3n29A1 TYR 375 HD2 0.09 0.01 0.02 -0.04 7.15 7.23 3n29A1 TYR 375 HE2 0.12 0.04 -0.02 -0.04 6.85 6.96 3n29A1 LYS 376 H 0.06 0.13 -0.20 -0.55 8.42 7.86 3n29A1 LYS 376 HA -0.36 0.04 0.38 -0.75 4.32 3.62 3n29A1 LYS 376 HB2 0.00 0.02 -0.01 -0.04 1.87 1.84 3n29A1 LYS 376 HB3 -0.05 0.07 0.02 -0.04 1.79 1.79 3n29A1 LYS 376 HG2 0.09 -0.06 0.04 -0.04 1.46 1.48 3n29A1 LYS 376 HG3 0.03 0.07 0.01 -0.04 1.46 1.53 3n29A1 LYS 376 HD2 -0.05 0.03 0.02 -0.04 1.69 1.65 3n29A1 LYS 376 HD3 -0.10 -0.05 -0.02 -0.04 1.68 1.48 3n29A1 LYS 376 HE2 0.14 -0.01 -0.01 -0.04 2.99 3.08 3n29A1 LYS 376 HE3 0.05 0.03 -0.00 -0.04 2.99 3.02 3n29A1 ASP 377 H 0.03 0.46 -0.29 -0.55 8.40 8.06 3n29A1 ASP 377 HA -0.01 0.09 0.47 -0.75 4.63 4.44 3n29A1 ASP 377 HB2 0.07 0.16 0.10 -0.04 2.71 3.00 3n29A1 ASP 377 HB3 -0.02 0.03 -0.02 -0.04 2.70 2.64 3n29A1 TYR 378 H 0.06 0.29 -0.18 -0.55 8.29 7.91 3n29A1 TYR 378 HA -0.05 0.09 0.72 -0.75 4.56 4.57 3n29A1 TYR 378 HB2 -0.01 -0.00 0.04 -0.04 3.06 3.05 3n29A1 TYR 378 HB3 -0.06 0.13 0.20 -0.04 2.98 3.20 3n29A1 TYR 378 HD2 0.03 0.02 0.02 -0.04 7.15 7.18 3n29A1 TYR 378 HE2 0.06 -0.04 -0.03 -0.04 6.85 6.80 3n29A1 SER 379 H -0.38 0.47 0.17 -0.55 8.46 8.18 3n29A1 SER 379 HA -0.58 0.04 0.09 -0.75 4.49 3.29 3n29A1 SER 379 HB2 -0.24 0.02 0.03 -0.04 3.95 3.72 3n29A1 SER 379 HB3 -0.76 -0.02 0.06 -0.04 3.93 3.17 3n29A1 LEU 380 H -0.20 0.41 -0.24 -0.55 8.37 7.80 3n29A1 LEU 380 HA -0.11 0.13 0.47 -0.75 4.35 4.09 3n29A1 LEU 380 HB2 -0.08 0.12 0.08 -0.04 1.64 1.72 3n29A1 LEU 380 HB3 -0.06 -0.03 0.15 -0.04 1.64 1.67 3n29A1 LEU 380 HG -0.12 -0.08 0.08 -0.04 1.64 1.48 3n29A1 LEU 380 HD13 -0.04 -0.01 0.00 -0.04 0.93 0.84 3n29A1 LEU 380 HD23 -0.06 0.00 -0.09 -0.04 0.89 0.70 3n29A1 ARG 381 H -0.18 0.35 -0.68 -0.55 8.46 7.39 3n29A1 ARG 381 HA -0.05 0.13 0.73 -0.75 4.34 4.40 3n29A1 ARG 381 HB2 -0.08 0.14 0.06 -0.04 1.90 1.98 3n29A1 ARG 381 HB3 -0.03 -0.10 0.14 -0.04 1.80 1.78 3n29A1 ARG 381 HG2 -0.04 -0.04 -0.27 -0.04 1.67 1.28 3n29A1 ARG 381 HG3 -0.02 0.03 0.02 -0.04 1.67 1.66 3n29A1 ARG 381 HD2 -0.00 0.06 0.06 -0.04 3.22 3.29 3n29A1 ARG 381 HD3 0.00 -0.04 -0.01 -0.04 3.22 3.12 3n29A1 ASN 382 H -0.16 0.41 -0.25 -0.55 8.53 7.98 3n29A1 ASN 382 HA -0.08 0.16 0.61 -0.75 4.76 4.70 3n29A1 ASN 382 HB2 -0.36 0.09 0.02 -0.04 2.88 2.58 3n29A1 ASN 382 HB3 -0.15 -0.04 0.02 -0.04 2.79 2.58 3n29A1 ASN 382 HD21 -0.13 -0.08 -0.11 -0.04 7.03 6.66 3n29A1 ASN 382 HD22 -0.74 0.27 -0.12 -0.04 7.74 7.12