============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. HIS 20 0.900 4.332 -13.614 105.901 -99.200 -91.000 PHE 32 1.000 9.700 -33.909 97.936 -99.200 -91.000 PHE 38 1.000 21.317 -30.031 94.631 -99.200 -91.000 HIS 41 0.900 20.409 -34.236 87.082 -99.200 -91.000 HIS 47 0.900 28.726 -33.916 90.787 -99.200 -91.000 PHE 48 1.000 30.163 -29.235 95.944 -99.200 -91.000 TYR 54 0.840 42.790 -24.974 75.949 -99.200 -91.000 TYR 56 0.840 38.409 -28.657 75.604 -99.200 -91.000 TYR 68 0.840 21.096 -23.190 87.648 -99.200 -91.000 PHE 72 1.000 15.321 -22.271 86.879 -99.200 -91.000 HIS 88 0.900 28.032 -12.387 78.426 -99.200 -91.000 PHE 95 1.000 23.662 -9.590 69.453 -99.200 -91.000 TYR 106 0.840 11.986 -8.588 74.352 -99.200 -91.000 TYR 112 0.840 16.775 -4.987 81.018 -99.200 -91.000 PHE 129 1.000 19.042 -7.671 67.857 -99.200 -91.000 TYR 132 0.840 26.014 -8.645 63.585 -99.200 -91.000 TYR 136 0.840 13.240 -4.125 69.670 -99.200 -91.000 PHE 149 1.000 -3.329 -12.068 74.284 -99.200 -91.000 HIS 157 0.900 6.883 -9.444 59.526 -99.200 -91.000 TYR 170 0.840 13.711 0.969 87.007 -99.200 -91.000 PHE 176 1.000 2.866 -9.173 81.115 -99.200 -91.000 PHE 186 1.000 -2.096 -14.460 69.710 -99.200 -91.000 PHE 197 1.000 15.380 -14.594 76.204 -99.200 -91.000 TYR 202 0.840 14.426 -8.291 90.320 -99.200 -91.000 PHE 205 1.000 14.353 -22.527 92.210 -99.200 -91.000 HIS 213 0.900 8.448 -26.574 85.187 -99.200 -91.000 TYR 236 0.840 18.534 -18.573 84.534 -99.200 -91.000 TYR 243 0.840 14.841 -23.254 69.730 -99.200 -91.000 TYR 249 0.840 28.483 -25.059 68.445 -99.200 -91.000 TYR 265 0.840 40.469 -21.433 92.722 -99.200 -91.000 TYR 270 0.840 26.811 -28.487 91.599 -99.200 -91.000 PHE 273 1.000 18.832 -24.310 90.610 -99.200 -91.000 PHE 274 1.000 19.407 -28.186 99.336 -99.200 -91.000 HIS 278 0.900 14.897 -20.433 103.709 -99.200 -91.000 PHE 289 1.000 6.823 -5.738 107.943 -99.200 -91.000 PHE 293 1.000 5.049 -1.017 109.329 -99.200 -91.000 TRP 304 1.040 -2.043 -7.126 102.148 -99.200 -91.000 TRP6 304 1.020 -2.868 -9.005 103.311 -99.200 -91.000 PHE 317 1.000 8.091 5.855 100.458 -99.200 -91.000 PHE 325 1.000 11.420 2.738 102.684 -99.200 -91.000 TYR 331 0.840 22.251 3.754 110.549 -99.200 -91.000 HIS 338 0.900 30.867 3.215 105.819 -99.200 -91.000 PHE 339 1.000 27.675 5.913 99.456 -99.200 -91.000 TYR 342 0.840 23.127 12.514 100.565 -99.200 -91.000 TYR 345 0.840 22.737 13.320 84.216 -99.200 -91.000 TYR 348 0.840 17.619 6.103 82.647 -99.200 -91.000 PHE 358 1.000 26.138 -9.672 103.298 -99.200 -91.000 TYR 376 0.840 7.902 13.208 94.207 -99.200 -91.000 TYR 379 0.840 10.603 0.598 90.987 -99.200 -91.000 TYR 386 0.840 9.275 -11.746 107.809 -99.200 -91.000 HIS 388 0.900 18.648 -6.748 105.845 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3ht4E1 ASN 7 HA 0.02 -0.14 0.20 -0.75 4.76 4.09 3ht4E1 GLY 8 H 0.03 -0.17 0.23 -0.55 8.43 7.97 3ht4E1 GLY 8 HA2 0.04 -0.02 0.33 -0.51 4.01 3.85 3ht4E1 GLY 8 HA3 0.03 0.38 0.93 -0.51 4.01 4.84 3ht4E1 GLU 9 H 0.02 0.06 0.21 -0.55 8.60 8.35 3ht4E1 GLU 9 HA 0.02 0.24 0.91 -0.75 4.29 4.70 3ht4E1 LYS 10 H 0.03 -0.13 0.15 -0.55 8.42 7.91 3ht4E1 LYS 10 HA 0.02 0.26 0.79 -0.75 4.32 4.64 3ht4E1 LYS 10 HB2 0.02 0.04 0.03 -0.04 1.87 1.91 3ht4E1 LYS 10 HB3 0.03 -0.04 0.07 -0.04 1.79 1.80 3ht4E1 LYS 10 HG2 0.03 0.05 -0.01 -0.04 1.46 1.49 3ht4E1 LYS 10 HG3 0.03 0.02 0.18 -0.04 1.46 1.64 3ht4E1 LYS 10 HD2 0.01 -0.01 0.04 -0.04 1.69 1.68 3ht4E1 LYS 10 HD3 0.02 0.00 0.02 -0.04 1.68 1.68 3ht4E1 LYS 10 HE2 0.02 0.03 0.04 -0.04 2.99 3.04 3ht4E1 LYS 10 HE3 0.01 -0.01 0.03 -0.04 2.99 2.98 3ht4E1 ILE 11 H 0.04 -0.21 -0.10 -0.55 8.25 7.43 3ht4E1 ILE 11 HA 0.11 0.28 0.85 -0.75 4.18 4.67 3ht4E1 ILE 11 HB 0.09 -0.04 0.08 -0.04 1.89 1.97 3ht4E1 ILE 11 HG12 0.19 0.10 -0.00 -0.04 1.49 1.74 3ht4E1 ILE 11 HG13 0.26 -0.07 0.05 -0.04 1.21 1.41 3ht4E1 ILE 11 HG23 0.06 -0.03 0.03 -0.04 0.93 0.94 3ht4E1 ILE 11 HD13 0.21 0.04 -0.02 -0.04 0.88 1.06 3ht4E1 ALA 12 H 0.03 0.11 -0.19 -0.55 8.40 7.80 3ht4E1 ALA 12 HA -0.01 0.04 0.09 -0.75 4.34 3.70 3ht4E1 ALA 12 HB3 0.00 0.06 0.10 -0.04 1.41 1.53 3ht4E1 PRO 13 HA -0.00 0.05 0.39 -0.51 4.44 4.37 3ht4E1 PRO 13 HB2 0.02 0.09 -0.10 -0.04 2.28 2.24 3ht4E1 PRO 13 HB3 0.01 0.02 0.03 -0.04 2.02 2.04 3ht4E1 PRO 13 HG2 0.02 0.11 -0.05 -0.04 2.03 2.07 3ht4E1 PRO 13 HG3 0.01 0.05 -0.00 -0.04 2.03 2.04 3ht4E1 PRO 13 HD2 0.03 -0.03 -0.93 -0.04 3.68 2.70 3ht4E1 PRO 13 HD3 0.01 0.08 -0.17 -0.04 3.65 3.53 3ht4E1 ILE 14 H 0.03 0.41 -0.38 -0.55 8.25 7.75 3ht4E1 ILE 14 HA 0.01 0.06 0.36 -0.75 4.18 3.86 3ht4E1 ILE 14 HB 0.13 0.15 0.14 -0.04 1.89 2.27 3ht4E1 ILE 14 HG12 0.05 -0.01 -0.01 -0.04 1.49 1.48 3ht4E1 ILE 14 HG13 0.04 -0.10 -0.07 -0.04 1.21 1.04 3ht4E1 ILE 14 HG23 0.19 0.01 -0.16 -0.04 0.93 0.92 3ht4E1 ILE 14 HD13 0.07 0.05 0.03 -0.04 0.88 0.99 3ht4E1 VAL 15 H -0.09 0.41 -0.03 -0.55 8.24 7.98 3ht4E1 VAL 15 HA -0.32 0.06 0.40 -0.75 4.13 3.52 3ht4E1 VAL 15 HB -0.14 -0.03 -0.03 -0.04 2.12 1.87 3ht4E1 VAL 15 HG13 -0.76 0.03 -0.02 -0.04 0.97 0.19 3ht4E1 VAL 15 HG23 -0.08 0.02 -0.01 -0.04 0.95 0.84 3ht4E1 LYS 16 H -0.05 0.57 -0.19 -0.55 8.42 8.19 3ht4E1 LYS 16 HA -0.03 -0.03 0.49 -0.75 4.32 4.00 3ht4E1 LYS 16 HB2 -0.02 0.22 0.14 -0.04 1.87 2.17 3ht4E1 LYS 16 HB3 -0.02 0.14 0.06 -0.04 1.79 1.93 3ht4E1 LYS 16 HG2 -0.01 -0.01 -0.04 -0.04 1.46 1.36 3ht4E1 LYS 16 HG3 -0.02 -0.06 0.04 -0.04 1.46 1.38 3ht4E1 LYS 16 HD2 -0.02 -0.02 -0.01 -0.04 1.69 1.61 3ht4E1 LYS 16 HD3 -0.01 0.02 -0.05 -0.04 1.68 1.60 3ht4E1 LYS 16 HE2 -0.01 -0.01 -0.03 -0.04 2.99 2.91 3ht4E1 LYS 16 HE3 -0.01 -0.00 -0.02 -0.04 2.99 2.92 3ht4E1 GLU 17 H -0.03 0.47 -0.18 -0.55 8.60 8.32 3ht4E1 GLU 17 HA -0.03 -0.04 0.31 -0.75 4.29 3.78 3ht4E1 GLU 17 HB2 -0.01 0.10 0.18 -0.04 2.09 2.32 3ht4E1 GLU 17 HB3 -0.02 0.13 0.11 -0.04 1.99 2.17 3ht4E1 GLU 17 HG2 -0.03 -0.02 0.02 -0.04 2.34 2.27 3ht4E1 GLU 17 HG3 -0.02 -0.06 0.06 -0.04 2.34 2.29 3ht4E1 VAL 18 H -0.06 0.35 -0.47 -0.55 8.24 7.51 3ht4E1 VAL 18 HA -0.17 0.07 0.45 -0.75 4.13 3.72 3ht4E1 VAL 18 HB -0.01 0.03 0.10 -0.04 2.12 2.21 3ht4E1 VAL 18 HG13 -0.21 -0.02 -0.13 -0.04 0.97 0.58 3ht4E1 VAL 18 HG23 -0.03 0.19 -0.03 -0.04 0.95 1.03 3ht4E1 GLU 19 H 0.00 0.70 0.12 -0.55 8.60 8.88 3ht4E1 GLU 19 HA 0.05 0.01 0.42 -0.75 4.29 4.01 3ht4E1 GLU 19 HB2 -0.00 0.08 0.15 -0.04 2.09 2.27 3ht4E1 GLU 19 HB3 0.04 -0.06 0.03 -0.04 1.99 1.96 3ht4E1 GLU 19 HG2 0.06 -0.05 0.05 -0.04 2.34 2.36 3ht4E1 GLU 19 HG3 -0.01 0.27 0.05 -0.04 2.34 2.60 3ht4E1 SER 20 H -0.03 0.55 -0.28 -0.55 8.46 8.15 3ht4E1 SER 20 HA -0.01 -0.03 0.36 -0.75 4.49 4.06 3ht4E1 SER 20 HB2 -0.01 -0.07 0.07 -0.04 3.95 3.90 3ht4E1 SER 20 HB3 -0.03 0.20 0.06 -0.04 3.93 4.12 3ht4E1 GLN 21 H -0.12 0.47 -0.67 -0.55 8.47 7.61 3ht4E1 GLN 21 HA -0.05 0.04 0.55 -0.75 4.36 4.14 3ht4E1 GLN 21 HB2 -0.16 0.09 0.16 -0.04 2.15 2.21 3ht4E1 GLN 21 HB3 -0.36 0.18 0.28 -0.04 2.02 2.07 3ht4E1 GLN 21 HG2 -0.71 -0.07 -0.01 -0.04 2.40 1.58 3ht4E1 GLN 21 HG3 -0.10 -0.05 0.09 -0.04 2.39 2.29 3ht4E1 GLN 21 HE21 -0.22 0.02 0.02 -0.04 6.97 6.74 3ht4E1 GLN 21 HE22 0.06 -0.04 0.03 -0.04 7.69 7.69 3ht4E1 ILE 22 H -0.17 0.44 -0.05 -0.55 8.25 7.93 3ht4E1 ILE 22 HA 0.17 0.12 0.80 -0.75 4.18 4.52 3ht4E1 ILE 22 HB -0.25 -0.06 0.09 -0.04 1.89 1.63 3ht4E1 ILE 22 HG12 -0.13 0.15 0.09 -0.04 1.49 1.56 3ht4E1 ILE 22 HG13 -0.45 -0.03 -0.19 -0.04 1.21 0.49 3ht4E1 ILE 22 HG23 -0.49 0.04 -0.10 -0.04 0.93 0.34 3ht4E1 ILE 22 HD13 0.12 -0.01 -0.13 -0.04 0.88 0.82 3ht4E1 THR 23 H -0.02 0.28 -0.34 -0.55 8.28 7.66 3ht4E1 THR 23 HA 0.07 0.03 0.37 -0.75 4.39 4.11 3ht4E1 THR 23 HB 0.03 0.05 0.09 -0.04 4.32 4.45 3ht4E1 THR 23 HG23 0.03 -0.02 -0.07 -0.04 1.22 1.12 3ht4E1 GLU 24 H 0.08 0.20 -0.22 -0.55 8.60 8.11 3ht4E1 GLU 24 HA 0.05 0.04 0.31 -0.75 4.29 3.93 3ht4E1 GLU 24 HB2 0.11 0.05 0.12 -0.04 2.09 2.32 3ht4E1 GLU 24 HB3 0.05 0.04 -0.01 -0.04 1.99 2.03 3ht4E1 GLU 24 HG2 0.06 0.03 0.05 -0.04 2.34 2.43 3ht4E1 GLU 24 HG3 0.05 0.03 0.03 -0.04 2.34 2.41 3ht4E1 VAL 25 H 0.12 0.16 -0.06 -0.55 8.24 7.91 3ht4E1 VAL 25 HA 0.05 0.01 0.34 -0.75 4.13 3.77 3ht4E1 VAL 25 HB 0.11 0.08 -0.03 -0.04 2.12 2.24 3ht4E1 VAL 25 HG13 -0.03 0.01 0.06 -0.04 0.97 0.97 3ht4E1 VAL 25 HG23 0.27 0.06 0.05 -0.04 0.95 1.29 3ht4E1 HIS 26 H 0.09 0.45 -0.48 -0.55 8.41 7.92 3ht4E1 HIS 26 HA 0.04 0.03 0.55 -0.75 4.63 4.49 3ht4E1 HIS 26 HB2 0.02 0.20 0.22 -0.04 3.26 3.66 3ht4E1 HIS 26 HB3 -0.04 -0.08 0.01 -0.04 3.20 3.05 3ht4E1 HIS 26 HD2 0.10 -0.02 0.01 -0.04 6.97 7.01 3ht4E1 HIS 26 HE1 0.18 -0.05 -0.06 -0.04 7.75 7.78 3ht4E1 LYS 27 H 0.11 0.69 0.19 -0.55 8.42 8.86 3ht4E1 LYS 27 HA 0.02 -0.03 0.39 -0.75 4.32 3.95 3ht4E1 LYS 27 HB2 0.04 0.17 0.23 -0.04 1.87 2.27 3ht4E1 LYS 27 HB3 0.02 -0.05 0.04 -0.04 1.79 1.76 3ht4E1 LYS 27 HG2 0.02 -0.03 0.03 -0.04 1.46 1.44 3ht4E1 LYS 27 HG3 0.01 -0.05 0.07 -0.04 1.46 1.46 3ht4E1 LYS 27 HD2 0.05 -0.10 0.10 -0.04 1.69 1.70 3ht4E1 LYS 27 HD3 0.05 0.06 0.08 -0.04 1.68 1.82 3ht4E1 LYS 27 HE2 0.00 -0.02 0.01 -0.04 2.99 2.95 3ht4E1 LYS 27 HE3 -0.01 -0.02 0.01 -0.04 2.99 2.93 3ht4E1 ARG 28 H 0.06 0.46 -0.53 -0.55 8.46 7.90 3ht4E1 ARG 28 HA 0.02 -0.01 0.45 -0.75 4.34 4.04 3ht4E1 ARG 28 HB2 0.03 0.00 0.03 -0.04 1.90 1.92 3ht4E1 ARG 28 HB3 0.04 0.19 0.13 -0.04 1.80 2.12 3ht4E1 ARG 28 HG2 0.01 -0.03 -0.06 -0.04 1.67 1.55 3ht4E1 ARG 28 HG3 0.01 -0.05 0.04 -0.04 1.67 1.62 3ht4E1 ARG 28 HD2 -0.00 -0.03 -0.01 -0.04 3.22 3.14 3ht4E1 ARG 28 HD3 -0.00 -0.03 -0.02 -0.04 3.22 3.13 3ht4E1 ALA 29 H 0.07 0.68 0.15 -0.55 8.40 8.75 3ht4E1 ALA 29 HA 0.03 0.00 0.63 -0.75 4.34 4.25 3ht4E1 ALA 29 HB3 0.07 0.03 0.19 -0.04 1.41 1.66 3ht4E1 ASP 30 H 0.02 0.50 -0.42 -0.55 8.40 7.96 3ht4E1 ASP 30 HA -0.02 0.03 0.59 -0.75 4.63 4.48 3ht4E1 ASP 30 HB2 -0.00 0.30 0.14 -0.04 2.71 3.11 3ht4E1 ASP 30 HB3 -0.01 -0.09 0.04 -0.04 2.70 2.60 3ht4E1 GLU 31 H 0.00 0.37 -0.14 -0.55 8.60 8.29 3ht4E1 GLU 31 HA -0.01 0.01 0.58 -0.75 4.29 4.11 3ht4E1 GLU 31 HB2 -0.00 0.23 0.26 -0.04 2.09 2.53 3ht4E1 GLU 31 HB3 -0.01 -0.08 0.06 -0.04 1.99 1.92 3ht4E1 GLU 31 HG2 -0.01 -0.07 0.07 -0.04 2.34 2.29 3ht4E1 GLU 31 HG3 0.00 0.29 0.22 -0.04 2.34 2.80 3ht4E1 VAL 32 H 0.00 0.43 -0.05 -0.55 8.24 8.08 3ht4E1 VAL 32 HA 0.00 -0.03 0.34 -0.75 4.13 3.69 3ht4E1 VAL 32 HB 0.02 -0.08 0.04 -0.04 2.12 2.05 3ht4E1 VAL 32 HG13 0.02 0.15 0.19 -0.04 0.97 1.29 3ht4E1 VAL 32 HG23 0.03 0.06 -0.35 -0.04 0.95 0.65 3ht4E1 ILE 33 H -0.01 0.49 -0.24 -0.55 8.25 7.94 3ht4E1 ILE 33 HA -0.06 0.07 0.40 -0.75 4.18 3.84 3ht4E1 ILE 33 HB -0.02 0.06 0.22 -0.04 1.89 2.11 3ht4E1 ILE 33 HG12 -0.05 0.13 0.00 -0.04 1.49 1.53 3ht4E1 ILE 33 HG13 -0.04 0.15 0.12 -0.04 1.21 1.40 3ht4E1 ILE 33 HG23 0.01 -0.03 -0.17 -0.04 0.93 0.70 3ht4E1 ILE 33 HD13 -0.12 -0.06 0.09 -0.04 0.88 0.75 3ht4E1 GLU 34 H -0.02 0.67 -0.16 -0.55 8.60 8.54 3ht4E1 GLU 34 HA -0.02 -0.05 0.40 -0.75 4.29 3.87 3ht4E1 GLU 34 HB2 -0.01 0.16 0.24 -0.04 2.09 2.43 3ht4E1 GLU 34 HB3 -0.02 0.10 0.19 -0.04 1.99 2.22 3ht4E1 GLU 34 HG2 0.02 -0.06 0.03 -0.04 2.34 2.29 3ht4E1 GLU 34 HG3 0.00 -0.03 0.06 -0.04 2.34 2.33 3ht4E1 SER 35 H -0.01 0.70 -0.12 -0.55 8.46 8.48 3ht4E1 SER 35 HA -0.00 -0.04 0.29 -0.75 4.49 3.98 3ht4E1 SER 35 HB2 -0.02 -0.05 0.06 -0.04 3.95 3.89 3ht4E1 SER 35 HB3 0.00 0.06 0.16 -0.04 3.93 4.12 3ht4E1 ASN 36 H -0.02 0.82 0.00 -0.55 8.53 8.79 3ht4E1 ASN 36 HA 0.03 0.02 0.57 -0.75 4.76 4.63 3ht4E1 ASN 36 HB2 -0.13 0.15 0.19 -0.04 2.88 3.04 3ht4E1 ASN 36 HB3 -0.40 -0.09 0.04 -0.04 2.79 2.30 3ht4E1 ASN 36 HD21 0.16 0.14 -0.29 -0.04 7.03 7.00 3ht4E1 ASN 36 HD22 0.07 0.18 -0.06 -0.04 7.74 7.88 3ht4E1 GLN 37 H -0.13 0.75 -0.06 -0.55 8.47 8.49 3ht4E1 GLN 37 HA -0.37 0.02 0.47 -0.75 4.36 3.72 3ht4E1 GLN 37 HB2 -0.21 0.03 0.12 -0.04 2.15 2.05 3ht4E1 GLN 37 HB3 -0.09 0.12 0.17 -0.04 2.02 2.18 3ht4E1 GLN 37 HG2 -0.17 -0.05 -0.01 -0.04 2.40 2.13 3ht4E1 GLN 37 HG3 -0.30 -0.07 -0.02 -0.04 2.39 1.96 3ht4E1 GLN 37 HE21 -1.46 0.21 0.13 -0.04 6.97 5.80 3ht4E1 GLN 37 HE22 -1.37 -0.12 0.09 -0.04 7.69 6.26 3ht4E1 PHE 38 H 0.11 0.61 -0.16 -0.55 8.34 8.34 3ht4E1 PHE 38 HA -0.04 -0.03 0.48 -0.75 4.62 4.28 3ht4E1 PHE 38 HB2 -0.03 0.11 0.14 -0.04 3.15 3.32 3ht4E1 PHE 38 HB3 -0.01 0.11 0.13 -0.04 3.06 3.25 3ht4E1 PHE 38 HD2 0.00 0.03 -0.07 -0.04 7.28 7.20 3ht4E1 PHE 38 HE2 0.01 -0.02 -0.00 -0.04 7.38 7.33 3ht4E1 PHE 38 HZ 0.01 -0.03 0.00 -0.04 7.32 7.27 3ht4E1 ARG 39 H 0.13 0.52 -0.06 -0.55 8.46 8.50 3ht4E1 ARG 39 HA 0.17 -0.01 0.50 -0.75 4.34 4.25 3ht4E1 ARG 39 HB2 0.14 0.13 0.23 -0.04 1.90 2.36 3ht4E1 ARG 39 HB3 0.14 0.05 0.18 -0.04 1.80 2.13 3ht4E1 ARG 39 HG2 0.20 -0.02 -0.00 -0.04 1.67 1.80 3ht4E1 ARG 39 HG3 0.17 -0.07 0.09 -0.04 1.67 1.82 3ht4E1 ARG 39 HD2 0.20 -0.02 0.08 -0.04 3.22 3.44 3ht4E1 ARG 39 HD3 0.15 -0.01 0.08 -0.04 3.22 3.40 3ht4E1 VAL 40 H -0.04 0.76 0.03 -0.55 8.24 8.44 3ht4E1 VAL 40 HA 0.17 -0.01 0.38 -0.75 4.13 3.92 3ht4E1 VAL 40 HB -0.29 0.10 0.14 -0.04 2.12 2.03 3ht4E1 VAL 40 HG13 0.08 -0.01 -0.13 -0.04 0.97 0.88 3ht4E1 VAL 40 HG23 -0.43 0.12 0.06 -0.04 0.95 0.65 3ht4E1 LEU 41 H -0.08 0.56 -0.26 -0.55 8.37 8.04 3ht4E1 LEU 41 HA -0.01 -0.02 0.46 -0.75 4.35 4.02 3ht4E1 LEU 41 HB2 -0.10 0.22 0.20 -0.04 1.64 1.91 3ht4E1 LEU 41 HB3 -0.26 0.10 0.18 -0.04 1.64 1.62 3ht4E1 LEU 41 HG -0.08 -0.08 -0.01 -0.04 1.64 1.43 3ht4E1 LEU 41 HD13 0.10 -0.01 0.04 -0.04 0.93 1.02 3ht4E1 LEU 41 HD23 -0.18 -0.01 0.00 -0.04 0.89 0.67 3ht4E1 GLU 42 H -0.05 0.62 -0.07 -0.55 8.60 8.55 3ht4E1 GLU 42 HA -0.01 -0.06 0.39 -0.75 4.29 3.85 3ht4E1 GLU 42 HB2 0.10 0.30 0.22 -0.04 2.09 2.67 3ht4E1 GLU 42 HB3 0.09 -0.09 0.03 -0.04 1.99 1.98 3ht4E1 GLU 42 HG2 -0.20 0.25 0.18 -0.04 2.34 2.53 3ht4E1 GLU 42 HG3 0.15 -0.04 0.04 -0.04 2.34 2.45 3ht4E1 SER 43 H 0.21 0.45 -0.39 -0.55 8.46 8.17 3ht4E1 SER 43 HA 0.26 0.04 0.59 -0.75 4.49 4.62 3ht4E1 SER 43 HB2 0.20 0.05 0.03 -0.04 3.95 4.19 3ht4E1 SER 43 HB3 0.27 0.12 0.08 -0.04 3.93 4.36 3ht4E1 PHE 44 H 0.52 0.50 -0.03 -0.55 8.34 8.77 3ht4E1 PHE 44 HA 0.05 0.02 0.64 -0.75 4.62 4.58 3ht4E1 PHE 44 HB2 0.05 0.20 0.24 -0.04 3.15 3.60 3ht4E1 PHE 44 HB3 -0.03 -0.06 -0.03 -0.04 3.06 2.90 3ht4E1 PHE 44 HD2 0.04 0.13 0.02 -0.04 7.28 7.44 3ht4E1 PHE 44 HE2 0.22 -0.03 -0.11 -0.04 7.38 7.42 3ht4E1 PHE 44 HZ 0.39 0.11 -0.05 -0.04 7.32 7.73 3ht4E1 GLY 45 H 0.17 0.59 -0.04 -0.55 8.43 8.60 3ht4E1 GLY 45 HA2 0.06 0.02 0.46 -0.51 4.01 4.04 3ht4E1 GLY 45 HA3 0.05 0.05 0.29 -0.51 4.01 3.90 3ht4E1 LYS 46 H 0.13 0.41 -0.18 -0.55 8.42 8.23 3ht4E1 LYS 46 HA 0.02 0.05 0.48 -0.75 4.32 4.11 3ht4E1 LYS 46 HB2 0.06 0.02 0.14 -0.04 1.87 2.05 3ht4E1 LYS 46 HB3 0.16 0.02 0.21 -0.04 1.79 2.14 3ht4E1 LYS 46 HG2 -0.22 0.01 -0.19 -0.04 1.46 1.02 3ht4E1 LYS 46 HG3 -0.06 -0.04 0.04 -0.04 1.46 1.35 3ht4E1 LYS 46 HD2 0.02 -0.04 0.01 -0.04 1.69 1.64 3ht4E1 LYS 46 HD3 0.07 0.03 -0.01 -0.04 1.68 1.73 3ht4E1 LYS 46 HE2 -0.08 -0.03 -0.03 -0.04 2.99 2.82 3ht4E1 LYS 46 HE3 0.01 -0.03 -0.01 -0.04 2.99 2.92 3ht4E1 HIS 47 H 0.28 0.48 -0.13 -0.55 8.41 8.49 3ht4E1 HIS 47 HA 0.00 0.09 0.67 -0.75 4.63 4.64 3ht4E1 HIS 47 HB2 -0.08 0.12 0.14 -0.04 3.26 3.41 3ht4E1 HIS 47 HB3 -0.05 -0.10 0.14 -0.04 3.20 3.15 3ht4E1 HIS 47 HD2 0.01 -0.06 0.04 -0.04 6.97 6.92 3ht4E1 HIS 47 HE1 0.05 0.01 -0.04 -0.04 7.75 7.72 3ht4E1 LYS 48 H 0.05 0.05 -0.95 -0.55 8.42 7.02 3ht4E1 LYS 48 HA 0.01 0.04 0.29 -0.75 4.32 3.91 3ht4E1 LYS 48 HB2 0.01 0.03 -0.33 -0.04 1.87 1.54 3ht4E1 LYS 48 HB3 0.00 -0.12 0.13 -0.04 1.79 1.76 3ht4E1 LYS 48 HG2 0.00 -0.06 0.05 -0.04 1.46 1.41 3ht4E1 LYS 48 HG3 0.00 0.25 -0.07 -0.04 1.46 1.60 3ht4E1 LYS 48 HD2 -0.01 0.02 -0.06 -0.04 1.69 1.61 3ht4E1 LYS 48 HD3 -0.00 -0.10 -0.02 -0.04 1.68 1.52 3ht4E1 LYS 48 HE2 -0.00 0.09 0.04 -0.04 2.99 3.07 3ht4E1 LYS 48 HE3 -0.01 -0.06 0.01 -0.04 2.99 2.89 3ht4E1 ILE 49 H -0.09 0.39 -0.01 -0.55 8.25 7.98 3ht4E1 ILE 49 HA -0.57 0.06 0.20 -0.75 4.18 3.11 3ht4E1 ILE 49 HB -1.03 -0.05 0.05 -0.04 1.89 0.82 3ht4E1 ILE 49 HG12 -0.32 -0.05 -0.34 -0.04 1.49 0.74 3ht4E1 ILE 49 HG13 -0.42 -0.00 -0.05 -0.04 1.21 0.70 3ht4E1 ILE 49 HG23 -0.40 0.06 -0.00 -0.04 0.93 0.55 3ht4E1 ILE 49 HD13 0.07 0.01 0.03 -0.04 0.88 0.95 3ht4E1 SER 50 H -0.03 0.11 0.22 -0.55 8.46 8.21 3ht4E1 SER 50 HA -0.15 0.28 0.85 -0.75 4.49 4.72 3ht4E1 SER 50 HB2 -0.07 -0.03 0.18 -0.04 3.95 3.99 3ht4E1 SER 50 HB3 -0.03 0.23 -0.03 -0.04 3.93 4.06 3ht4E1 ASP 51 H -0.18 0.25 0.16 -0.55 8.40 8.08 3ht4E1 ASP 51 HA -1.25 0.13 0.51 -0.75 4.63 3.26 3ht4E1 ASP 51 HB2 0.04 0.02 0.18 -0.04 2.71 2.91 3ht4E1 ASP 51 HB3 0.01 0.07 0.13 -0.04 2.70 2.86 3ht4E1 SER 52 H -0.19 0.05 -0.61 -0.55 8.46 7.16 3ht4E1 SER 52 HA -0.12 0.15 0.64 -0.75 4.49 4.40 3ht4E1 SER 52 HB2 -0.11 0.04 0.12 -0.04 3.95 3.95 3ht4E1 SER 52 HB3 -0.11 -0.02 0.05 -0.04 3.93 3.80 3ht4E1 HIS 53 H -0.37 0.46 -0.23 -0.55 8.41 7.72 3ht4E1 HIS 53 HA -0.08 0.10 0.67 -0.75 4.63 4.56 3ht4E1 HIS 53 HB2 -0.77 0.16 0.12 -0.04 3.26 2.74 3ht4E1 HIS 53 HB3 -0.18 0.03 0.11 -0.04 3.20 3.12 3ht4E1 HIS 53 HD2 0.03 0.15 0.06 -0.04 6.97 7.15 3ht4E1 HIS 53 HE1 -0.11 0.17 0.04 -0.04 7.75 7.80 3ht4E1 PHE 54 H -0.33 0.17 -0.27 -0.55 8.34 7.36 3ht4E1 PHE 54 HA 0.16 0.07 0.31 -0.75 4.62 4.41 3ht4E1 PHE 54 HB2 0.04 0.12 0.04 -0.04 3.15 3.31 3ht4E1 PHE 54 HB3 0.08 -0.11 0.09 -0.04 3.06 3.09 3ht4E1 PHE 54 HD2 0.09 0.05 -0.14 -0.04 7.28 7.24 3ht4E1 PHE 54 HE2 -0.20 0.03 -0.05 -0.04 7.38 7.12 3ht4E1 PHE 54 HZ -0.06 0.03 -0.10 -0.04 7.32 7.14 3ht4E1 ILE 55 H 0.06 0.05 -0.59 -0.55 8.25 7.21 3ht4E1 ILE 55 HA 0.09 0.03 0.30 -0.75 4.18 3.85 3ht4E1 ILE 55 HB 0.00 -0.03 0.04 -0.04 1.89 1.87 3ht4E1 ILE 55 HG12 0.00 -0.07 0.05 -0.04 1.49 1.43 3ht4E1 ILE 55 HG13 -0.05 0.22 0.12 -0.04 1.21 1.45 3ht4E1 ILE 55 HG23 0.02 0.05 -0.08 -0.04 0.93 0.88 3ht4E1 ILE 55 HD13 -0.00 -0.01 0.05 -0.04 0.88 0.87 3ht4E1 PRO 56 HA 0.06 0.15 0.56 -0.51 4.44 4.70 3ht4E1 PRO 56 HB2 0.08 -0.06 -0.05 -0.04 2.28 2.21 3ht4E1 PRO 56 HB3 0.06 0.01 -0.03 -0.04 2.02 2.01 3ht4E1 PRO 56 HG2 0.23 -0.01 0.05 -0.04 2.03 2.26 3ht4E1 PRO 56 HG3 0.26 0.05 0.07 -0.04 2.03 2.37 3ht4E1 PRO 56 HD2 0.09 0.05 0.20 -0.04 3.68 3.98 3ht4E1 PRO 56 HD3 0.13 0.14 0.18 -0.04 3.65 4.06 3ht4E1 THR 57 H -0.01 0.13 0.35 -0.55 8.28 8.20 3ht4E1 THR 57 HA -0.00 0.21 0.59 -0.75 4.39 4.43 3ht4E1 THR 57 HB -0.01 0.00 0.11 -0.04 4.32 4.38 3ht4E1 THR 57 HG23 0.02 0.06 -0.08 -0.04 1.22 1.18 3ht4E1 THR 58 H -0.03 0.20 0.14 -0.55 8.28 8.04 3ht4E1 THR 58 HA -0.10 0.21 0.93 -0.75 4.39 4.67 3ht4E1 THR 58 HB -0.09 -0.04 0.17 -0.04 4.32 4.33 3ht4E1 THR 58 HG23 -0.08 0.02 -0.12 -0.04 1.22 1.00 3ht4E1 GLY 59 H -0.11 0.18 0.14 -0.55 8.43 8.09 3ht4E1 GLY 59 HA2 -0.22 0.10 0.37 -0.51 4.01 3.76 3ht4E1 GLY 59 HA3 -0.24 0.01 0.36 -0.51 4.01 3.63 3ht4E1 TYR 60 H -0.20 0.14 0.27 -0.55 8.29 7.96 3ht4E1 TYR 60 HA -0.21 0.16 0.49 -0.75 4.56 4.24 3ht4E1 TYR 60 HB2 -0.20 -0.03 0.12 -0.04 3.06 2.90 3ht4E1 TYR 60 HB3 -0.92 0.06 0.05 -0.04 2.98 2.12 3ht4E1 TYR 60 HD2 -0.02 0.02 0.00 -0.04 7.15 7.11 3ht4E1 TYR 60 HE2 0.02 0.03 -0.01 -0.04 6.85 6.84 3ht4E1 GLY 61 H -0.04 0.46 -0.12 -0.55 8.43 8.17 3ht4E1 GLY 61 HA2 -0.01 -0.00 0.15 -0.51 4.01 3.64 3ht4E1 GLY 61 HA3 -0.05 0.07 -0.15 -0.51 4.01 3.38 3ht4E1 TYR 62 H 0.09 -0.05 -0.20 -0.55 8.29 7.57 3ht4E1 TYR 62 HA 0.02 0.40 0.75 -0.75 4.56 4.98 3ht4E1 TYR 62 HB2 0.07 -0.10 0.07 -0.04 3.06 3.06 3ht4E1 TYR 62 HB3 0.02 0.03 -0.05 -0.04 2.98 2.95 3ht4E1 TYR 62 HD2 0.05 0.09 -0.04 -0.04 7.15 7.21 3ht4E1 TYR 62 HE2 -0.18 -0.01 -0.11 -0.04 6.85 6.51 3ht4E1 ASP 63 H 0.16 0.27 0.18 -0.55 8.40 8.45 3ht4E1 ASP 63 HA 0.05 0.04 0.31 -0.75 4.63 4.27 3ht4E1 ASP 63 HB2 0.06 0.17 0.13 -0.04 2.71 3.02 3ht4E1 ASP 63 HB3 0.03 -0.03 0.15 -0.04 2.70 2.81 3ht4E1 ASP 64 H 0.05 0.25 -0.08 -0.55 8.40 8.07 3ht4E1 ASP 64 HA 0.02 0.18 0.89 -0.75 4.63 4.97 3ht4E1 ASP 64 HB2 0.02 0.08 -0.04 -0.04 2.71 2.72 3ht4E1 ASP 64 HB3 0.02 0.06 0.17 -0.04 2.70 2.90 3ht4E1 ILE 65 H -0.02 0.29 0.13 -0.55 8.25 8.10 3ht4E1 ILE 65 HA 0.01 0.09 0.40 -0.75 4.18 3.92 3ht4E1 ILE 65 HB -0.17 0.06 0.07 -0.04 1.89 1.81 3ht4E1 ILE 65 HG12 -0.04 0.07 0.05 -0.04 1.49 1.53 3ht4E1 ILE 65 HG13 -0.07 0.02 0.02 -0.04 1.21 1.15 3ht4E1 ILE 65 HG23 -0.13 0.01 0.00 -0.04 0.93 0.76 3ht4E1 ILE 65 HD13 -0.01 -0.01 -0.13 -0.04 0.88 0.69 3ht4E1 GLY 66 H 0.01 0.10 -0.07 -0.55 8.43 7.93 3ht4E1 GLY 66 HA2 0.31 0.02 0.67 -0.51 4.01 4.50 3ht4E1 GLY 66 HA3 0.18 0.34 0.42 -0.51 4.01 4.43 3ht4E1 ARG 67 H 0.05 0.07 -0.17 -0.55 8.46 7.86 3ht4E1 ARG 67 HA -0.04 0.10 0.24 -0.75 4.34 3.89 3ht4E1 ARG 67 HB2 -0.00 -0.04 0.09 -0.04 1.90 1.90 3ht4E1 ARG 67 HB3 0.00 0.05 0.11 -0.04 1.80 1.92 3ht4E1 ARG 67 HG2 -0.06 -0.03 -0.14 -0.04 1.67 1.41 3ht4E1 ARG 67 HG3 -0.05 -0.00 0.01 -0.04 1.67 1.58 3ht4E1 ARG 67 HD2 -0.04 -0.01 -0.13 -0.04 3.22 3.00 3ht4E1 ARG 67 HD3 -0.03 0.11 -0.07 -0.04 3.22 3.19 3ht4E1 ASP 68 H 0.03 0.47 -0.05 -0.55 8.40 8.30 3ht4E1 ASP 68 HA -0.01 0.09 0.46 -0.75 4.63 4.41 3ht4E1 ASP 68 HB2 0.04 0.03 0.12 -0.04 2.71 2.85 3ht4E1 ASP 68 HB3 0.03 -0.02 0.00 -0.04 2.70 2.67 3ht4E1 THR 69 H 0.10 0.34 -0.33 -0.55 8.28 7.85 3ht4E1 THR 69 HA 0.08 0.06 0.57 -0.75 4.39 4.34 3ht4E1 THR 69 HB 0.29 0.06 0.10 -0.04 4.32 4.72 3ht4E1 THR 69 HG23 0.11 -0.01 0.05 -0.04 1.22 1.33 3ht4E1 LEU 70 H 0.02 0.55 -0.00 -0.55 8.37 8.39 3ht4E1 LEU 70 HA -0.25 0.01 0.47 -0.75 4.35 3.83 3ht4E1 LEU 70 HB2 -0.61 0.09 0.16 -0.04 1.64 1.24 3ht4E1 LEU 70 HB3 -0.29 0.09 0.15 -0.04 1.64 1.55 3ht4E1 LEU 70 HG -0.52 -0.06 -0.12 -0.04 1.64 0.89 3ht4E1 LEU 70 HD13 -0.73 -0.02 0.08 -0.04 0.93 0.23 3ht4E1 LEU 70 HD23 -0.41 0.02 -0.01 -0.04 0.89 0.45 3ht4E1 GLU 71 H -0.14 0.40 -0.32 -0.55 8.60 8.00 3ht4E1 GLU 71 HA -0.23 -0.03 0.39 -0.75 4.29 3.66 3ht4E1 GLU 71 HB2 -0.06 0.18 0.08 -0.04 2.09 2.25 3ht4E1 GLU 71 HB3 -0.09 -0.19 -0.16 -0.04 1.99 1.51 3ht4E1 GLU 71 HG2 -0.18 -0.51 -0.00 -0.04 2.34 1.61 3ht4E1 GLU 71 HG3 -0.14 0.37 0.15 -0.04 2.34 2.68 3ht4E1 LYS 72 H -0.04 0.36 -0.12 -0.55 8.42 8.06 3ht4E1 LYS 72 HA 0.02 0.02 0.44 -0.75 4.32 4.04 3ht4E1 LYS 72 HB2 0.04 0.07 0.27 -0.04 1.87 2.21 3ht4E1 LYS 72 HB3 0.25 -0.01 0.04 -0.04 1.79 2.03 3ht4E1 LYS 72 HG2 0.06 -0.04 0.11 -0.04 1.46 1.55 3ht4E1 LYS 72 HG3 0.05 0.27 0.18 -0.04 1.46 1.91 3ht4E1 LYS 72 HD2 0.13 -0.02 0.01 -0.04 1.69 1.77 3ht4E1 LYS 72 HD3 0.16 0.00 0.04 -0.04 1.68 1.83 3ht4E1 LYS 72 HE2 0.05 -0.03 0.02 -0.04 2.99 2.99 3ht4E1 LYS 72 HE3 0.05 -0.00 0.04 -0.04 2.99 3.04 3ht4E1 VAL 73 H -0.29 0.77 -0.01 -0.55 8.24 8.16 3ht4E1 VAL 73 HA -0.45 -0.00 0.42 -0.75 4.13 3.35 3ht4E1 VAL 73 HB -0.22 0.14 0.17 -0.04 2.12 2.17 3ht4E1 VAL 73 HG13 -0.04 -0.03 -0.16 -0.04 0.97 0.70 3ht4E1 VAL 73 HG23 -0.38 0.07 0.01 -0.04 0.95 0.61 3ht4E1 TYR 74 H -0.11 0.66 -0.13 -0.55 8.29 8.16 3ht4E1 TYR 74 HA -0.76 -0.04 0.25 -0.75 4.56 3.25 3ht4E1 TYR 74 HB2 -0.39 0.12 0.18 -0.04 3.06 2.94 3ht4E1 TYR 74 HB3 -0.41 -0.08 -0.11 -0.04 2.98 2.34 3ht4E1 TYR 74 HD2 -0.77 0.09 -0.03 -0.04 7.15 6.39 3ht4E1 TYR 74 HE2 -0.58 -0.04 -0.12 -0.04 6.85 6.08 3ht4E1 ALA 75 H -0.02 0.67 -0.24 -0.55 8.40 8.26 3ht4E1 ALA 75 HA 0.08 -0.11 0.22 -0.75 4.34 3.77 3ht4E1 ALA 75 HB3 0.05 0.02 -0.49 -0.04 1.41 0.95 3ht4E1 ASP 76 H 0.03 0.84 -0.01 -0.55 8.40 8.70 3ht4E1 ASP 76 HA 0.11 0.01 0.33 -0.75 4.63 4.33 3ht4E1 ASP 76 HB2 0.21 -0.02 0.10 -0.04 2.71 2.96 3ht4E1 ASP 76 HB3 0.07 0.09 0.22 -0.04 2.70 3.04 3ht4E1 VAL 77 H 0.07 0.63 -0.19 -0.55 8.24 8.20 3ht4E1 VAL 77 HA 0.22 0.04 0.37 -0.75 4.13 4.00 3ht4E1 VAL 77 HB 0.21 0.05 0.03 -0.04 2.12 2.36 3ht4E1 VAL 77 HG13 0.38 -0.03 -0.10 -0.04 0.97 1.18 3ht4E1 VAL 77 HG23 0.29 0.05 -0.06 -0.04 0.95 1.19 3ht4E1 PHE 78 H 0.13 0.66 -0.07 -0.55 8.34 8.51 3ht4E1 PHE 78 HA -0.14 -0.04 0.39 -0.75 4.62 4.08 3ht4E1 PHE 78 HB2 -0.03 0.22 0.05 -0.04 3.15 3.35 3ht4E1 PHE 78 HB3 -0.06 -0.13 0.06 -0.04 3.06 2.89 3ht4E1 PHE 78 HD2 -0.10 0.02 -0.20 -0.04 7.28 6.95 3ht4E1 PHE 78 HE2 -1.19 -0.03 -0.11 -0.04 7.38 6.01 3ht4E1 PHE 78 HZ -0.53 -0.06 -0.08 -0.04 7.32 6.61 3ht4E1 GLY 79 H 0.01 0.35 -0.81 -0.55 8.43 7.44 3ht4E1 GLY 79 HA2 -0.01 0.09 0.19 -0.51 4.01 3.77 3ht4E1 GLY 79 HA3 -0.58 -0.09 0.19 -0.51 4.01 3.02 3ht4E1 ALA 80 H 0.06 0.55 -0.18 -0.55 8.40 8.27 3ht4E1 ALA 80 HA 0.05 0.21 0.66 -0.75 4.34 4.51 3ht4E1 ALA 80 HB3 0.09 -0.03 -0.22 -0.04 1.41 1.21 3ht4E1 GLU 81 H 0.05 0.10 -0.00 -0.55 8.60 8.21 3ht4E1 GLU 81 HA 0.05 0.16 0.50 -0.75 4.29 4.25 3ht4E1 GLU 81 HB2 0.02 -0.09 0.18 -0.04 2.09 2.16 3ht4E1 GLU 81 HB3 0.02 0.01 0.09 -0.04 1.99 2.07 3ht4E1 GLU 81 HG2 0.03 0.11 -0.03 -0.04 2.34 2.41 3ht4E1 GLU 81 HG3 0.04 0.03 0.08 -0.04 2.34 2.45 3ht4E1 ALA 82 H 0.05 0.39 0.15 -0.55 8.40 8.44 3ht4E1 ALA 82 HA 0.03 0.22 0.90 -0.75 4.34 4.73 3ht4E1 ALA 82 HB3 0.01 0.00 -0.03 -0.04 1.41 1.35 3ht4E1 GLY 83 H 0.00 0.21 0.10 -0.55 8.43 8.20 3ht4E1 GLY 83 HA2 0.04 0.13 0.90 -0.51 4.01 4.57 3ht4E1 GLY 83 HA3 -0.02 0.11 0.22 -0.51 4.01 3.82 3ht4E1 LEU 84 H 0.02 0.40 0.01 -0.55 8.37 8.25 3ht4E1 LEU 84 HA -0.06 0.16 0.45 -0.75 4.35 4.15 3ht4E1 LEU 84 HB2 -0.02 0.03 -0.03 -0.04 1.64 1.59 3ht4E1 LEU 84 HB3 -0.02 -0.10 0.27 -0.04 1.64 1.75 3ht4E1 LEU 84 HG -0.06 -0.04 -0.06 -0.04 1.64 1.44 3ht4E1 LEU 84 HD13 -0.06 0.02 0.02 -0.04 0.93 0.87 3ht4E1 LEU 84 HD23 -0.05 0.01 -0.13 -0.04 0.89 0.68 3ht4E1 VAL 85 H -0.18 0.22 -0.11 -0.55 8.24 7.62 3ht4E1 VAL 85 HA -0.13 0.21 1.08 -0.75 4.13 4.54 3ht4E1 VAL 85 HB -0.59 -0.08 -0.04 -0.04 2.12 1.37 3ht4E1 VAL 85 HG13 -0.69 0.00 -0.06 -0.04 0.97 0.18 3ht4E1 VAL 85 HG23 -0.75 0.05 -0.15 -0.04 0.95 0.06 3ht4E1 ARG 86 H -0.08 0.33 0.10 -0.55 8.46 8.25 3ht4E1 ARG 86 HA -0.10 0.18 0.55 -0.75 4.34 4.22 3ht4E1 ARG 86 HB2 -0.05 0.02 0.05 -0.04 1.90 1.88 3ht4E1 ARG 86 HB3 -0.08 0.13 -0.20 -0.04 1.80 1.61 3ht4E1 ARG 86 HG2 -0.07 -0.05 -0.33 -0.04 1.67 1.18 3ht4E1 ARG 86 HG3 -0.05 -0.16 -0.24 -0.04 1.67 1.18 3ht4E1 ARG 86 HD2 -0.04 0.04 -0.13 -0.04 3.22 3.05 3ht4E1 ARG 86 HD3 -0.04 0.05 -0.11 -0.04 3.22 3.07 3ht4E1 PRO 87 HA 0.01 0.11 0.23 -0.51 4.44 4.28 3ht4E1 PRO 87 HB2 -0.01 0.06 -0.07 -0.04 2.28 2.22 3ht4E1 PRO 87 HB3 0.00 0.00 -0.00 -0.04 2.02 1.99 3ht4E1 PRO 87 HG2 -0.02 0.17 0.07 -0.04 2.03 2.21 3ht4E1 PRO 87 HG3 -0.02 0.05 0.03 -0.04 2.03 2.05 3ht4E1 PRO 87 HD2 -0.03 0.15 0.14 -0.04 3.68 3.89 3ht4E1 PRO 87 HD3 -0.05 0.16 0.19 -0.04 3.65 3.90 3ht4E1 GLN 88 H -0.01 0.14 -0.25 -0.55 8.47 7.80 3ht4E1 GLN 88 HA 0.04 0.04 0.35 -0.75 4.36 4.04 3ht4E1 GLN 88 HB2 -0.01 -0.03 -0.09 -0.04 2.15 1.97 3ht4E1 GLN 88 HB3 0.02 0.10 -0.04 -0.04 2.02 2.06 3ht4E1 GLN 88 HG2 -0.01 0.09 -0.03 -0.04 2.40 2.42 3ht4E1 GLN 88 HG3 0.01 -0.00 0.00 -0.04 2.39 2.36 3ht4E1 GLN 88 HE21 -0.03 0.20 -0.13 -0.04 6.97 6.97 3ht4E1 GLN 88 HE22 -0.02 -0.04 -0.06 -0.04 7.69 7.53 3ht4E1 ILE 89 H 0.00 0.27 -0.57 -0.55 8.25 7.40 3ht4E1 ILE 89 HA -0.06 0.14 0.76 -0.75 4.18 4.27 3ht4E1 ILE 89 HB -0.02 0.03 0.15 -0.04 1.89 2.00 3ht4E1 ILE 89 HG12 -0.22 0.09 -0.11 -0.04 1.49 1.21 3ht4E1 ILE 89 HG13 -0.09 -0.05 -0.19 -0.04 1.21 0.84 3ht4E1 ILE 89 HG23 -0.10 -0.01 -0.22 -0.04 0.93 0.56 3ht4E1 ILE 89 HD13 -0.07 -0.04 -0.09 -0.04 0.88 0.65 3ht4E1 ILE 90 H 0.82 0.20 0.05 -0.55 8.25 8.76 3ht4E1 ILE 90 HA 0.08 0.21 0.01 -0.75 4.18 3.73 3ht4E1 ILE 90 HB 0.02 -0.01 0.02 -0.04 1.89 1.87 3ht4E1 ILE 90 HG12 -0.38 0.13 0.09 -0.04 1.49 1.28 3ht4E1 ILE 90 HG13 0.12 -0.36 0.12 -0.04 1.21 1.05 3ht4E1 ILE 90 HG23 -0.02 0.06 0.03 -0.04 0.93 0.96 3ht4E1 ILE 90 HD13 -0.05 0.00 -0.04 -0.04 0.88 0.74 3ht4E1 SER 91 H 0.17 0.04 -0.11 -0.55 8.46 8.01 3ht4E1 SER 91 HA 0.06 0.23 0.65 -0.75 4.49 4.68 3ht4E1 SER 91 HB2 0.05 -0.06 0.16 -0.04 3.95 4.06 3ht4E1 SER 91 HB3 0.05 0.20 -0.21 -0.04 3.93 3.93 3ht4E1 GLY 92 H 0.05 0.21 0.09 -0.55 8.43 8.24 3ht4E1 GLY 92 HA2 0.03 0.15 0.30 -0.51 4.01 3.98 3ht4E1 GLY 92 HA3 0.04 0.07 0.28 -0.51 4.01 3.89 3ht4E1 THR 93 H 0.12 0.16 -0.06 -0.55 8.28 7.95 3ht4E1 THR 93 HA 0.19 0.08 0.22 -0.75 4.39 4.12 3ht4E1 THR 93 HB 0.11 0.01 -0.01 -0.04 4.32 4.39 3ht4E1 THR 93 HG23 0.08 0.03 -0.07 -0.04 1.22 1.22 3ht4E1 HIS 94 H 0.18 -0.02 -0.48 -0.55 8.41 7.54 3ht4E1 HIS 94 HA 0.03 0.14 0.31 -0.75 4.63 4.36 3ht4E1 HIS 94 HB2 0.02 -0.03 0.06 -0.04 3.26 3.27 3ht4E1 HIS 94 HB3 0.02 -0.05 -0.06 -0.04 3.20 3.07 3ht4E1 HIS 94 HD2 -0.00 -0.00 0.05 -0.04 6.97 6.98 3ht4E1 HIS 94 HE1 -0.01 0.40 0.23 -0.04 7.75 8.33 3ht4E1 ALA 95 H 0.06 0.38 -0.25 -0.55 8.40 8.04 3ht4E1 ALA 95 HA -0.10 0.11 0.52 -0.75 4.34 4.11 3ht4E1 ALA 95 HB3 -0.04 0.02 0.14 -0.04 1.41 1.49 3ht4E1 ILE 96 H 0.09 0.50 -0.01 -0.55 8.25 8.28 3ht4E1 ILE 96 HA 0.10 0.08 0.34 -0.75 4.18 3.95 3ht4E1 ILE 96 HB 0.17 0.04 0.04 -0.04 1.89 2.09 3ht4E1 ILE 96 HG12 0.39 0.03 -0.03 -0.04 1.49 1.84 3ht4E1 ILE 96 HG13 0.20 -0.03 -0.04 -0.04 1.21 1.30 3ht4E1 ILE 96 HG23 0.29 0.00 -0.10 -0.04 0.93 1.08 3ht4E1 ILE 96 HD13 0.23 -0.04 -0.28 -0.04 0.88 0.75 3ht4E1 SER 97 H 0.09 0.57 -0.27 -0.55 8.46 8.30 3ht4E1 SER 97 HA 0.15 0.01 0.47 -0.75 4.49 4.36 3ht4E1 SER 97 HB2 0.14 0.01 0.06 -0.04 3.95 4.12 3ht4E1 SER 97 HB3 0.18 0.04 0.02 -0.04 3.93 4.12 3ht4E1 THR 98 H -0.00 0.30 -0.39 -0.55 8.28 7.63 3ht4E1 THR 98 HA 0.03 0.09 0.46 -0.75 4.39 4.22 3ht4E1 THR 98 HB -0.12 0.03 0.18 -0.04 4.32 4.37 3ht4E1 THR 98 HG23 -0.08 -0.02 -0.06 -0.04 1.22 1.02 3ht4E1 ALA 99 H -0.11 0.30 -0.36 -0.55 8.40 7.69 3ht4E1 ALA 99 HA -0.09 0.08 0.46 -0.75 4.34 4.03 3ht4E1 ALA 99 HB3 -0.42 0.02 0.01 -0.04 1.41 0.97 3ht4E1 LEU 100 H -0.24 0.42 -0.03 -0.55 8.37 7.96 3ht4E1 LEU 100 HA -0.19 0.03 0.24 -0.75 4.35 3.68 3ht4E1 LEU 100 HB2 -0.05 0.02 0.13 -0.04 1.64 1.70 3ht4E1 LEU 100 HB3 0.01 0.00 -0.02 -0.04 1.64 1.59 3ht4E1 LEU 100 HG -0.12 0.30 0.10 -0.04 1.64 1.87 3ht4E1 LEU 100 HD13 0.06 -0.03 -0.06 -0.04 0.93 0.87 3ht4E1 LEU 100 HD23 -0.15 -0.03 -0.06 -0.04 0.89 0.61 3ht4E1 PHE 101 H 0.12 0.39 -0.21 -0.55 8.34 8.09 3ht4E1 PHE 101 HA -0.20 0.04 0.26 -0.75 4.62 3.97 3ht4E1 PHE 101 HB2 -0.05 0.12 0.07 -0.04 3.15 3.24 3ht4E1 PHE 101 HB3 -0.12 0.02 -0.02 -0.04 3.06 2.89 3ht4E1 PHE 101 HD2 -0.15 0.21 0.05 -0.04 7.28 7.35 3ht4E1 PHE 101 HE2 0.08 -0.07 -0.07 -0.04 7.38 7.27 3ht4E1 PHE 101 HZ 0.29 0.02 0.09 -0.04 7.32 7.67 3ht4E1 GLY 102 H 0.03 0.19 -0.61 -0.55 8.43 7.49 3ht4E1 GLY 102 HA2 0.03 -0.04 0.24 -0.51 4.01 3.72 3ht4E1 GLY 102 HA3 0.00 0.03 0.23 -0.51 4.01 3.76 3ht4E1 ILE 103 H -0.09 0.36 -0.42 -0.55 8.25 7.54 3ht4E1 ILE 103 HA -0.02 0.10 0.83 -0.75 4.18 4.34 3ht4E1 ILE 103 HB -0.12 0.10 -0.05 -0.04 1.89 1.77 3ht4E1 ILE 103 HG12 0.03 0.02 -0.04 -0.04 1.49 1.46 3ht4E1 ILE 103 HG13 -0.02 -0.02 -0.17 -0.04 1.21 0.96 3ht4E1 ILE 103 HG23 -0.14 -0.03 -0.19 -0.04 0.93 0.53 3ht4E1 ILE 103 HD13 -0.23 -0.04 -0.05 -0.04 0.88 0.52 3ht4E1 LEU 104 H -0.17 0.61 0.14 -0.55 8.37 8.40 3ht4E1 LEU 104 HA -0.15 0.01 0.51 -0.75 4.35 3.97 3ht4E1 LEU 104 HB2 -0.45 0.08 -0.04 -0.04 1.64 1.19 3ht4E1 LEU 104 HB3 -0.41 -0.04 -0.10 -0.04 1.64 1.05 3ht4E1 LEU 104 HG -0.18 0.03 -0.06 -0.04 1.64 1.39 3ht4E1 LEU 104 HD13 -0.26 -0.05 -0.13 -0.04 0.93 0.45 3ht4E1 LEU 104 HD23 -0.11 -0.00 -0.18 -0.04 0.89 0.56 3ht4E1 ARG 105 H -0.13 0.13 0.19 -0.55 8.46 8.10 3ht4E1 ARG 105 HA -0.11 0.19 0.75 -0.75 4.34 4.41 3ht4E1 ARG 105 HB2 -0.04 -0.05 -0.01 -0.04 1.90 1.76 3ht4E1 ARG 105 HB3 -0.03 0.00 0.10 -0.04 1.80 1.83 3ht4E1 ARG 105 HG2 -0.06 0.09 -0.65 -0.04 1.67 1.01 3ht4E1 ARG 105 HG3 -0.02 -0.08 -0.10 -0.04 1.67 1.42 3ht4E1 ARG 105 HD2 -0.03 -0.09 0.04 -0.04 3.22 3.09 3ht4E1 ARG 105 HD3 -0.07 0.33 -0.00 -0.04 3.22 3.43 3ht4E1 PRO 106 HA 0.01 0.28 0.40 -0.51 4.44 4.62 3ht4E1 PRO 106 HB2 0.02 -0.07 0.09 -0.04 2.28 2.28 3ht4E1 PRO 106 HB3 0.05 0.04 0.09 -0.04 2.02 2.17 3ht4E1 PRO 106 HG2 0.05 -0.04 0.10 -0.04 2.03 2.10 3ht4E1 PRO 106 HG3 0.12 0.09 0.13 -0.04 2.03 2.33 3ht4E1 PRO 106 HD2 -0.01 0.06 0.21 -0.04 3.68 3.90 3ht4E1 PRO 106 HD3 -0.03 0.16 0.20 -0.04 3.65 3.95 3ht4E1 GLY 107 H 0.01 0.55 0.21 -0.55 8.43 8.66 3ht4E1 GLY 107 HA2 0.02 -0.06 0.47 -0.51 4.01 3.92 3ht4E1 GLY 107 HA3 0.01 0.07 0.75 -0.51 4.01 4.33 3ht4E1 ASP 108 H -0.03 0.44 -0.31 -0.55 8.40 7.95 3ht4E1 ASP 108 HA 0.00 0.12 0.46 -0.75 4.63 4.46 3ht4E1 ASP 108 HB2 -0.09 -0.01 0.11 -0.04 2.71 2.68 3ht4E1 ASP 108 HB3 -0.05 -0.09 0.13 -0.04 2.70 2.65 3ht4E1 GLU 109 H 0.00 0.24 0.40 -0.55 8.60 8.69 3ht4E1 GLU 109 HA 0.07 0.12 0.81 -0.75 4.29 4.54 3ht4E1 GLU 109 HB2 0.03 0.10 0.06 -0.04 2.09 2.24 3ht4E1 GLU 109 HB3 0.04 -0.04 -0.18 -0.04 1.99 1.76 3ht4E1 GLU 109 HG2 0.11 -0.06 -0.06 -0.04 2.34 2.29 3ht4E1 GLU 109 HG3 0.09 -0.04 0.01 -0.04 2.34 2.36 3ht4E1 LEU 110 H 0.20 0.45 -0.13 -0.55 8.37 8.35 3ht4E1 LEU 110 HA 0.06 0.18 0.94 -0.75 4.35 4.78 3ht4E1 LEU 110 HB2 0.23 0.05 -0.02 -0.04 1.64 1.87 3ht4E1 LEU 110 HB3 0.48 0.07 0.17 -0.04 1.64 2.32 3ht4E1 LEU 110 HG 0.44 -0.08 -0.28 -0.04 1.64 1.68 3ht4E1 LEU 110 HD13 0.02 -0.01 -0.10 -0.04 0.93 0.81 3ht4E1 LEU 110 HD23 0.34 -0.01 -0.07 -0.04 0.89 1.12 3ht4E1 LEU 111 H -0.01 0.30 0.12 -0.55 8.37 8.24 3ht4E1 LEU 111 HA -0.07 0.23 1.06 -0.75 4.35 4.82 3ht4E1 LEU 111 HB2 -0.09 0.01 -0.08 -0.04 1.64 1.44 3ht4E1 LEU 111 HB3 -0.07 0.03 0.12 -0.04 1.64 1.68 3ht4E1 LEU 111 HG -0.05 0.02 -0.42 -0.04 1.64 1.14 3ht4E1 LEU 111 HD13 -0.09 0.01 -0.18 -0.04 0.93 0.63 3ht4E1 LEU 111 HD23 -0.08 0.03 -0.17 -0.04 0.89 0.63 3ht4E1 TYR 112 H 0.16 0.51 0.26 -0.55 8.29 8.67 3ht4E1 TYR 112 HA 0.04 0.34 1.02 -0.75 4.56 5.21 3ht4E1 TYR 112 HB2 0.09 0.07 0.20 -0.04 3.06 3.38 3ht4E1 TYR 112 HB3 0.07 -0.00 0.03 -0.04 2.98 3.03 3ht4E1 TYR 112 HD2 0.19 -0.02 -0.09 -0.04 7.15 7.19 3ht4E1 TYR 112 HE2 0.14 -0.01 -0.19 -0.04 6.85 6.75 3ht4E1 ILE 113 H 0.04 0.31 0.35 -0.55 8.25 8.41 3ht4E1 ILE 113 HA -0.01 0.18 0.96 -0.75 4.18 4.55 3ht4E1 ILE 113 HB -0.13 -0.05 0.06 -0.04 1.89 1.72 3ht4E1 ILE 113 HG12 -0.09 0.18 0.06 -0.04 1.49 1.60 3ht4E1 ILE 113 HG13 -0.10 -0.04 -0.01 -0.04 1.21 1.01 3ht4E1 ILE 113 HG23 -0.05 0.01 -0.20 -0.04 0.93 0.66 3ht4E1 ILE 113 HD13 -0.10 -0.00 -0.09 -0.04 0.88 0.65 3ht4E1 THR 114 H 0.15 -0.01 0.17 -0.55 8.28 8.04 3ht4E1 THR 114 HA 0.06 0.13 0.56 -0.75 4.39 4.39 3ht4E1 THR 114 HB 0.49 0.16 0.10 -0.04 4.32 5.03 3ht4E1 THR 114 HG23 0.09 0.00 0.10 -0.04 1.22 1.38 3ht4E1 GLY 115 H 0.11 0.02 -0.52 -0.55 8.43 7.49 3ht4E1 GLY 115 HA2 0.06 0.08 -0.02 -0.51 4.01 3.62 3ht4E1 GLY 115 HA3 0.08 0.12 0.63 -0.51 4.01 4.34 3ht4E1 LYS 116 H 0.06 0.08 0.01 -0.55 8.42 8.01 3ht4E1 LYS 116 HA 0.05 0.03 0.24 -0.75 4.32 3.88 3ht4E1 LYS 116 HB2 0.05 -0.03 0.13 -0.04 1.87 1.99 3ht4E1 LYS 116 HB3 0.04 0.06 0.02 -0.04 1.79 1.87 3ht4E1 LYS 116 HG2 0.04 -0.05 0.06 -0.04 1.46 1.46 3ht4E1 LYS 116 HG3 0.04 -0.00 0.05 -0.04 1.46 1.50 3ht4E1 LYS 116 HD2 0.04 0.02 -0.01 -0.04 1.69 1.70 3ht4E1 LYS 116 HD3 0.04 0.01 -0.01 -0.04 1.68 1.68 3ht4E1 LYS 116 HE2 0.03 0.01 -0.00 -0.04 2.99 2.98 3ht4E1 LYS 116 HE3 0.03 -0.01 0.01 -0.04 2.99 2.98 3ht4E1 PRO 117 HA 0.03 0.08 0.45 -0.51 4.44 4.49 3ht4E1 PRO 117 HB2 -0.32 -0.02 -0.04 -0.04 2.28 1.86 3ht4E1 PRO 117 HB3 -0.59 0.01 0.07 -0.04 2.02 1.47 3ht4E1 PRO 117 HG2 -0.20 -0.04 -0.11 -0.04 2.03 1.63 3ht4E1 PRO 117 HG3 -0.40 0.04 -0.04 -0.04 2.03 1.59 3ht4E1 PRO 117 HD2 0.04 -0.00 0.10 -0.04 3.68 3.78 3ht4E1 PRO 117 HD3 -0.05 0.24 0.10 -0.04 3.65 3.90 3ht4E1 TYR 118 H 0.33 0.07 0.09 -0.55 8.29 8.22 3ht4E1 TYR 118 HA 0.06 0.17 0.42 -0.75 4.56 4.45 3ht4E1 TYR 118 HB2 0.09 -0.02 0.10 -0.04 3.06 3.19 3ht4E1 TYR 118 HB3 0.03 0.11 0.11 -0.04 2.98 3.18 3ht4E1 TYR 118 HD2 0.04 0.03 -0.02 -0.04 7.15 7.16 3ht4E1 TYR 118 HE2 0.05 0.03 -0.06 -0.04 6.85 6.83 3ht4E1 ASP 119 H 0.21 0.20 0.14 -0.55 8.40 8.40 3ht4E1 ASP 119 HA -0.01 0.12 0.25 -0.75 4.63 4.23 3ht4E1 ASP 119 HB2 0.22 -0.02 0.16 -0.04 2.71 3.04 3ht4E1 ASP 119 HB3 0.07 0.02 -0.01 -0.04 2.70 2.75 3ht4E1 THR 120 H -0.03 0.10 -0.28 -0.55 8.28 7.52 3ht4E1 THR 120 HA -0.08 0.04 0.09 -0.75 4.39 3.69 3ht4E1 THR 120 HB -0.09 0.00 -0.04 -0.04 4.32 4.15 3ht4E1 THR 120 HG23 0.03 0.01 0.07 -0.04 1.22 1.28 3ht4E1 LEU 121 H -0.46 0.57 -0.85 -0.55 8.37 7.09 3ht4E1 LEU 121 HA -0.30 0.12 0.79 -0.75 4.35 4.21 3ht4E1 LEU 121 HB2 -0.50 0.27 -0.06 -0.04 1.64 1.31 3ht4E1 LEU 121 HB3 -0.42 0.01 -0.13 -0.04 1.64 1.06 3ht4E1 LEU 121 HG -0.57 -0.07 -0.12 -0.04 1.64 0.84 3ht4E1 LEU 121 HD13 -0.26 -0.00 -0.06 -0.04 0.93 0.57 3ht4E1 LEU 121 HD23 -0.14 0.01 -0.04 -0.04 0.89 0.69 3ht4E1 GLU 122 H -0.24 0.52 0.09 -0.55 8.60 8.43 3ht4E1 GLU 122 HA -0.31 0.07 0.40 -0.75 4.29 3.70 3ht4E1 GLU 122 HB2 -0.12 0.10 0.07 -0.04 2.09 2.10 3ht4E1 GLU 122 HB3 -0.11 -0.05 -0.23 -0.04 1.99 1.55 3ht4E1 GLU 122 HG2 -0.09 0.00 -0.05 -0.04 2.34 2.16 3ht4E1 GLU 122 HG3 -0.12 0.05 -0.02 -0.04 2.34 2.22 3ht4E1 GLU 123 H -0.15 0.29 -0.38 -0.55 8.60 7.81 3ht4E1 GLU 123 HA -0.08 -0.38 0.44 -0.75 4.29 3.51 3ht4E1 GLU 123 HB2 -0.08 0.11 -0.01 -0.04 2.09 2.07 3ht4E1 GLU 123 HB3 -0.04 0.12 -0.07 -0.04 1.99 1.96 3ht4E1 GLU 123 HG2 -0.03 0.04 0.03 -0.04 2.34 2.33 3ht4E1 GLU 123 HG3 -0.06 -0.25 0.02 -0.04 2.34 2.01 3ht4E1 ILE 124 H -0.18 0.24 -0.40 -0.55 8.25 7.36 3ht4E1 ILE 124 HA 0.06 0.15 0.43 -0.75 4.18 4.07 3ht4E1 ILE 124 HB -0.21 0.10 0.15 -0.04 1.89 1.89 3ht4E1 ILE 124 HG12 0.14 0.06 0.01 -0.04 1.49 1.66 3ht4E1 ILE 124 HG13 -0.01 -0.09 -0.01 -0.04 1.21 1.05 3ht4E1 ILE 124 HG23 0.14 0.01 -0.09 -0.04 0.93 0.95 3ht4E1 ILE 124 HD13 0.01 -0.01 0.03 -0.04 0.88 0.86 3ht4E1 VAL 125 H -0.51 0.42 -0.05 -0.55 8.24 7.55 3ht4E1 VAL 125 HA -1.21 0.12 0.78 -0.75 4.13 3.07 3ht4E1 VAL 125 HB -0.84 0.05 0.13 -0.04 2.12 1.42 3ht4E1 VAL 125 HG13 -1.37 0.01 -0.03 -0.04 0.97 -0.46 3ht4E1 VAL 125 HG23 -1.08 0.04 -0.05 -0.04 0.95 -0.19 3ht4E1 GLY 126 H -0.19 0.20 -0.52 -0.55 8.43 7.38 3ht4E1 GLY 126 HA2 -0.04 0.06 0.23 -0.51 4.01 3.76 3ht4E1 GLY 126 HA3 -0.01 -0.05 -0.04 -0.51 4.01 3.40 3ht4E1 VAL 127 H -0.16 0.19 -0.33 -0.55 8.24 7.39 3ht4E1 VAL 127 HA -0.01 0.16 0.61 -0.75 4.13 4.13 3ht4E1 VAL 127 HB -0.03 0.06 0.01 -0.04 2.12 2.12 3ht4E1 VAL 127 HG13 -0.07 -0.03 -0.15 -0.04 0.97 0.68 3ht4E1 VAL 127 HG23 0.04 -0.00 0.07 -0.04 0.95 1.01 3ht4E1 ARG 128 H -0.08 0.06 -0.55 -0.55 8.46 7.34 3ht4E1 ARG 128 HA -0.05 0.24 0.79 -0.75 4.34 4.57 3ht4E1 ARG 128 HB2 -0.08 0.04 -0.26 -0.04 1.90 1.56 3ht4E1 ARG 128 HB3 -0.09 -0.22 -0.37 -0.04 1.80 1.09 3ht4E1 ARG 128 HG2 -0.08 -0.04 -0.12 -0.04 1.67 1.39 3ht4E1 ARG 128 HG3 -0.06 0.01 -0.33 -0.04 1.67 1.26 3ht4E1 ARG 128 HD2 -0.06 0.04 -0.06 -0.04 3.22 3.09 3ht4E1 ARG 128 HD3 -0.07 0.04 -0.04 -0.04 3.22 3.10 3ht4E1 GLY 129 H -0.06 -0.03 0.01 -0.55 8.43 7.81 3ht4E1 GLY 129 HA2 -0.02 0.06 0.47 -0.51 4.01 4.01 3ht4E1 GLY 129 HA3 -0.02 0.06 0.34 -0.51 4.01 3.88 3ht4E1 LYS 130 H -0.01 0.13 0.11 -0.55 8.42 8.10 3ht4E1 LYS 130 HA -0.00 0.23 0.27 -0.75 4.32 4.06 3ht4E1 LYS 130 HB2 -0.00 0.03 0.20 -0.04 1.87 2.05 3ht4E1 LYS 130 HB3 -0.01 0.06 0.10 -0.04 1.79 1.90 3ht4E1 LYS 130 HG2 -0.00 -0.10 0.08 -0.04 1.46 1.39 3ht4E1 LYS 130 HG3 -0.00 0.02 0.06 -0.04 1.46 1.50 3ht4E1 LYS 130 HD2 -0.01 0.04 0.04 -0.04 1.69 1.72 3ht4E1 LYS 130 HD3 -0.01 -0.00 0.09 -0.04 1.68 1.72 3ht4E1 LYS 130 HE2 -0.01 0.01 0.01 -0.04 2.99 2.97 3ht4E1 LYS 130 HE3 -0.01 0.02 0.01 -0.04 2.99 2.97 3ht4E1 GLY 131 H 0.01 0.67 -0.26 -0.55 8.43 8.30 3ht4E1 GLY 131 HA2 0.04 -0.02 0.25 -0.51 4.01 3.77 3ht4E1 GLY 131 HA3 0.02 0.14 0.45 -0.51 4.01 4.11 3ht4E1 VAL 132 H 0.01 0.00 -0.44 -0.55 8.24 7.27 3ht4E1 VAL 132 HA 0.01 0.09 0.23 -0.75 4.13 3.71 3ht4E1 VAL 132 HB 0.00 0.07 0.06 -0.04 2.12 2.21 3ht4E1 VAL 132 HG13 -0.00 0.00 -0.06 -0.04 0.97 0.87 3ht4E1 VAL 132 HG23 0.01 -0.02 -0.03 -0.04 0.95 0.86 3ht4E1 GLY 133 H 0.02 0.40 0.42 -0.55 8.43 8.72 3ht4E1 GLY 133 HA2 0.07 0.04 0.32 -0.51 4.01 3.93 3ht4E1 GLY 133 HA3 0.06 0.03 0.50 -0.51 4.01 4.09 3ht4E1 SER 134 H 0.13 0.05 -0.47 -0.55 8.46 7.62 3ht4E1 SER 134 HA 0.44 0.33 0.74 -0.75 4.49 5.24 3ht4E1 SER 134 HB2 0.09 0.13 -0.12 -0.04 3.95 4.01 3ht4E1 SER 134 HB3 0.09 -0.02 -0.18 -0.04 3.93 3.78 3ht4E1 PHE 135 H 0.55 0.53 0.21 -0.55 8.34 9.07 3ht4E1 PHE 135 HA 0.16 0.05 0.29 -0.75 4.62 4.36 3ht4E1 PHE 135 HB2 0.01 -0.05 0.07 -0.04 3.15 3.14 3ht4E1 PHE 135 HB3 0.03 0.51 0.07 -0.04 3.06 3.64 3ht4E1 PHE 135 HD2 -0.03 0.17 0.01 -0.04 7.28 7.38 3ht4E1 PHE 135 HE2 -0.60 -0.04 -0.06 -0.04 7.38 6.64 3ht4E1 PHE 135 HZ -0.34 -0.07 -0.10 -0.04 7.32 6.76 3ht4E1 LYS 136 H 0.20 0.03 -0.53 -0.55 8.42 7.57 3ht4E1 LYS 136 HA 0.11 0.08 0.24 -0.75 4.32 4.00 3ht4E1 LYS 136 HB2 0.07 0.03 0.01 -0.04 1.87 1.94 3ht4E1 LYS 136 HB3 0.06 -0.03 0.01 -0.04 1.79 1.78 3ht4E1 LYS 136 HG2 0.05 -0.00 0.03 -0.04 1.46 1.50 3ht4E1 LYS 136 HG3 0.04 0.04 -0.02 -0.04 1.46 1.48 3ht4E1 LYS 136 HD2 0.02 -0.01 -0.10 -0.04 1.69 1.56 3ht4E1 LYS 136 HD3 0.02 -0.00 -0.24 -0.04 1.68 1.42 3ht4E1 LYS 136 HE2 0.02 0.02 -0.04 -0.04 2.99 2.95 3ht4E1 LYS 136 HE3 0.01 -0.01 -0.05 -0.04 2.99 2.90 3ht4E1 GLU 137 H 0.09 0.44 -0.27 -0.55 8.60 8.31 3ht4E1 GLU 137 HA -0.06 0.06 0.37 -0.75 4.29 3.91 3ht4E1 GLU 137 HB2 -0.33 0.07 0.00 -0.04 2.09 1.80 3ht4E1 GLU 137 HB3 -0.19 -0.03 0.17 -0.04 1.99 1.89 3ht4E1 GLU 137 HG2 -0.03 -0.04 0.03 -0.04 2.34 2.26 3ht4E1 GLU 137 HG3 0.01 -0.06 0.11 -0.04 2.34 2.37 3ht4E1 TYR 138 H 0.14 0.59 -0.50 -0.55 8.29 7.96 3ht4E1 TYR 138 HA 0.02 0.17 0.84 -0.75 4.56 4.83 3ht4E1 TYR 138 HB2 0.01 0.06 -0.03 -0.04 3.06 3.06 3ht4E1 TYR 138 HB3 -0.04 -0.02 0.00 -0.04 2.98 2.88 3ht4E1 TYR 138 HD2 0.12 0.03 -0.20 -0.04 7.15 7.06 3ht4E1 TYR 138 HE2 0.07 -0.00 -0.10 -0.04 6.85 6.77 3ht4E1 ASN 139 H 0.08 0.30 -0.03 -0.55 8.53 8.33 3ht4E1 ASN 139 HA 0.06 0.05 0.27 -0.75 4.76 4.39 3ht4E1 ASN 139 HB2 0.05 0.11 0.13 -0.04 2.88 3.12 3ht4E1 ASN 139 HB3 0.04 -0.04 0.24 -0.04 2.79 2.98 3ht4E1 ASN 139 HD21 0.02 -0.02 -0.05 -0.04 7.03 6.93 3ht4E1 ASN 139 HD22 0.02 -0.01 -0.04 -0.04 7.74 7.67 3ht4E1 ILE 140 H 0.08 0.19 -0.43 -0.55 8.25 7.54 3ht4E1 ILE 140 HA -0.03 0.33 0.86 -0.75 4.18 4.58 3ht4E1 ILE 140 HB -0.40 -0.14 0.08 -0.04 1.89 1.38 3ht4E1 ILE 140 HG12 -0.21 0.19 -0.36 -0.04 1.49 1.07 3ht4E1 ILE 140 HG13 -0.08 -0.01 -0.33 -0.04 1.21 0.75 3ht4E1 ILE 140 HG23 -0.52 0.05 -0.17 -0.04 0.93 0.24 3ht4E1 ILE 140 HD13 -0.61 -0.01 -0.26 -0.04 0.88 -0.04 3ht4E1 GLY 141 H 0.07 0.64 0.22 -0.55 8.43 8.81 3ht4E1 GLY 141 HA2 0.16 0.04 0.39 -0.51 4.01 4.09 3ht4E1 GLY 141 HA3 0.12 0.01 0.35 -0.51 4.01 3.98 3ht4E1 TYR 142 H 0.17 0.22 0.15 -0.55 8.29 8.28 3ht4E1 TYR 142 HA 0.11 0.24 0.47 -0.75 4.56 4.63 3ht4E1 TYR 142 HB2 0.09 0.10 0.26 -0.04 3.06 3.47 3ht4E1 TYR 142 HB3 0.03 -0.00 -0.00 -0.04 2.98 2.97 3ht4E1 TYR 142 HD2 0.03 0.00 -0.04 -0.04 7.15 7.09 3ht4E1 TYR 142 HE2 -0.01 -0.06 -0.11 -0.04 6.85 6.63 3ht4E1 ASN 143 H -0.33 0.75 0.46 -0.55 8.53 8.86 3ht4E1 ASN 143 HA -0.41 0.15 0.77 -0.75 4.76 4.51 3ht4E1 ASN 143 HB2 -0.13 0.00 -0.00 -0.04 2.88 2.71 3ht4E1 ASN 143 HB3 -0.14 -0.00 -0.04 -0.04 2.79 2.56 3ht4E1 ASN 143 HD21 0.01 -0.01 -0.03 -0.04 7.03 6.96 3ht4E1 ASN 143 HD22 -0.01 -0.05 -0.17 -0.04 7.74 7.47 3ht4E1 ALA 144 H -0.22 0.22 0.06 -0.55 8.40 7.91 3ht4E1 ALA 144 HA -0.07 0.34 0.70 -0.75 4.34 4.56 3ht4E1 ALA 144 HB3 -0.03 -0.02 -0.12 -0.04 1.41 1.20 3ht4E1 VAL 145 H -0.04 0.43 0.10 -0.55 8.24 8.18 3ht4E1 VAL 145 HA -0.02 0.07 0.72 -0.75 4.13 4.15 3ht4E1 VAL 145 HB -0.04 -0.01 0.19 -0.04 2.12 2.22 3ht4E1 VAL 145 HG13 -0.03 0.02 -0.15 -0.04 0.97 0.77 3ht4E1 VAL 145 HG23 -0.03 0.01 -0.01 -0.04 0.95 0.87 3ht4E1 PRO 146 HA 0.03 -0.01 0.31 -0.51 4.44 4.26 3ht4E1 PRO 146 HB2 0.01 0.07 0.01 -0.04 2.28 2.33 3ht4E1 PRO 146 HB3 0.02 -0.01 0.14 -0.04 2.02 2.12 3ht4E1 PRO 146 HG2 0.01 -0.00 0.07 -0.04 2.03 2.07 3ht4E1 PRO 146 HG3 0.01 0.06 0.07 -0.04 2.03 2.13 3ht4E1 PRO 146 HD2 -0.00 0.01 0.17 -0.04 3.68 3.82 3ht4E1 PRO 146 HD3 -0.01 0.37 0.41 -0.04 3.65 4.37 3ht4E1 LEU 147 H 0.03 0.11 0.09 -0.55 8.37 8.06 3ht4E1 LEU 147 HA 0.01 0.04 0.89 -0.75 4.35 4.54 3ht4E1 LEU 147 HB2 0.06 -0.02 -0.03 -0.04 1.64 1.61 3ht4E1 LEU 147 HB3 0.08 0.08 -0.05 -0.04 1.64 1.71 3ht4E1 LEU 147 HG 0.10 -0.08 -0.23 -0.04 1.64 1.39 3ht4E1 LEU 147 HD13 0.21 0.09 -0.11 -0.04 0.93 1.07 3ht4E1 LEU 147 HD23 0.08 -0.00 -0.39 -0.04 0.89 0.53 3ht4E1 THR 148 H 0.03 0.36 0.07 -0.55 8.28 8.19 3ht4E1 THR 148 HA 0.02 0.10 0.62 -0.75 4.39 4.38 3ht4E1 THR 148 HB 0.03 -0.24 0.03 -0.04 4.32 4.09 3ht4E1 THR 148 HG23 0.02 -0.01 0.09 -0.04 1.22 1.28 3ht4E1 GLU 149 H 0.02 0.12 0.11 -0.55 8.60 8.30 3ht4E1 GLU 149 HA 0.01 0.12 0.33 -0.75 4.29 4.00 3ht4E1 GLU 149 HB2 0.01 -0.02 -0.01 -0.04 2.09 2.03 3ht4E1 GLU 149 HB3 0.01 0.06 0.08 -0.04 1.99 2.10 3ht4E1 GLU 149 HG2 0.01 0.04 0.05 -0.04 2.34 2.39 3ht4E1 GLU 149 HG3 0.01 0.01 0.09 -0.04 2.34 2.42 3ht4E1 GLY 150 H 0.02 -0.16 -0.61 -0.55 8.43 7.14 3ht4E1 GLY 150 HA2 0.01 0.12 0.38 -0.51 4.01 4.02 3ht4E1 GLY 150 HA3 0.02 -0.09 0.25 -0.51 4.01 3.68 3ht4E1 GLY 151 H 0.05 -0.10 0.03 -0.55 8.43 7.87 3ht4E1 GLY 151 HA2 0.06 0.08 0.25 -0.51 4.01 3.89 3ht4E1 GLY 151 HA3 0.03 0.19 0.63 -0.51 4.01 4.35 3ht4E1 LEU 152 H 0.08 -0.14 0.11 -0.55 8.37 7.88 3ht4E1 LEU 152 HA 0.23 0.21 0.74 -0.75 4.35 4.77 3ht4E1 LEU 152 HB2 0.08 -0.13 0.08 -0.04 1.64 1.63 3ht4E1 LEU 152 HB3 0.11 0.09 0.09 -0.04 1.64 1.89 3ht4E1 LEU 152 HG 0.09 0.01 0.03 -0.04 1.64 1.73 3ht4E1 LEU 152 HD13 0.16 0.04 -0.02 -0.04 0.93 1.06 3ht4E1 LEU 152 HD23 0.06 -0.02 -0.05 -0.04 0.89 0.84 3ht4E1 VAL 153 H -0.13 0.13 0.13 -0.55 8.24 7.82 3ht4E1 VAL 153 HA -0.10 0.22 0.63 -0.75 4.13 4.13 3ht4E1 VAL 153 HB -0.38 0.12 0.05 -0.04 2.12 1.87 3ht4E1 VAL 153 HG13 -0.77 -0.03 0.05 -0.04 0.97 0.17 3ht4E1 VAL 153 HG23 -0.39 0.02 -0.20 -0.04 0.95 0.34 3ht4E1 ASP 154 H -0.09 0.53 0.16 -0.55 8.40 8.45 3ht4E1 ASP 154 HA -0.01 -0.00 0.55 -0.75 4.63 4.41 3ht4E1 ASP 154 HB2 -0.02 0.12 -0.13 -0.04 2.71 2.64 3ht4E1 ASP 154 HB3 -0.03 0.04 0.10 -0.04 2.70 2.77 3ht4E1 PHE 155 H 0.12 0.26 0.22 -0.55 8.34 8.38 3ht4E1 PHE 155 HA -0.23 0.12 0.13 -0.75 4.62 3.88 3ht4E1 PHE 155 HB2 -0.21 -0.04 0.15 -0.04 3.15 3.00 3ht4E1 PHE 155 HB3 -0.49 0.04 -0.04 -0.04 3.06 2.53 3ht4E1 PHE 155 HD2 -0.87 0.01 0.05 -0.04 7.28 6.43 3ht4E1 PHE 155 HE2 -0.19 0.00 0.02 -0.04 7.38 7.17 3ht4E1 PHE 155 HZ -0.14 0.03 0.03 -0.04 7.32 7.20 3ht4E1 GLU 156 H 0.06 0.06 -0.12 -0.55 8.60 8.05 3ht4E1 GLU 156 HA 0.09 0.14 0.45 -0.75 4.29 4.21 3ht4E1 GLU 156 HB2 0.03 -0.03 0.02 -0.04 2.09 2.07 3ht4E1 GLU 156 HB3 0.04 0.07 0.01 -0.04 1.99 2.07 3ht4E1 GLU 156 HG2 0.02 0.04 0.01 -0.04 2.34 2.37 3ht4E1 GLU 156 HG3 0.03 0.06 0.01 -0.04 2.34 2.39 3ht4E1 ALA 157 H 0.02 0.06 -0.27 -0.55 8.40 7.66 3ht4E1 ALA 157 HA 0.03 0.09 0.38 -0.75 4.34 4.09 3ht4E1 ALA 157 HB3 0.00 0.03 0.03 -0.04 1.41 1.44 3ht4E1 VAL 158 H 0.02 0.41 -0.27 -0.55 8.24 7.84 3ht4E1 VAL 158 HA 0.02 0.07 0.57 -0.75 4.13 4.03 3ht4E1 VAL 158 HB 0.16 0.10 0.11 -0.04 2.12 2.45 3ht4E1 VAL 158 HG13 0.18 0.00 -0.18 -0.04 0.97 0.93 3ht4E1 VAL 158 HG23 -0.13 0.07 -0.07 -0.04 0.95 0.78 3ht4E1 ALA 159 H 0.28 0.55 -0.02 -0.55 8.40 8.66 3ht4E1 ALA 159 HA 0.09 0.05 0.29 -0.75 4.34 4.02 3ht4E1 ALA 159 HB3 0.39 0.01 0.09 -0.04 1.41 1.86 3ht4E1 ALA 160 H 0.07 0.08 -0.83 -0.55 8.40 7.17 3ht4E1 ALA 160 HA 0.05 0.16 0.71 -0.75 4.34 4.50 3ht4E1 ALA 160 HB3 0.04 -0.03 0.02 -0.04 1.41 1.40 3ht4E1 ALA 161 H 0.02 0.31 -0.14 -0.55 8.40 8.04 3ht4E1 ALA 161 HA 0.01 0.04 0.61 -0.75 4.34 4.24 3ht4E1 ALA 161 HB3 -0.03 -0.03 0.13 -0.04 1.41 1.44 3ht4E1 ILE 162 H -0.03 0.29 -0.34 -0.55 8.25 7.61 3ht4E1 ILE 162 HA -0.23 0.04 0.83 -0.75 4.18 4.07 3ht4E1 ILE 162 HB -0.07 0.04 0.03 -0.04 1.89 1.85 3ht4E1 ILE 162 HG12 -0.09 -0.03 -0.07 -0.04 1.49 1.25 3ht4E1 ILE 162 HG13 -0.05 0.21 -0.04 -0.04 1.21 1.29 3ht4E1 ILE 162 HG23 -0.10 0.00 -0.11 -0.04 0.93 0.68 3ht4E1 ILE 162 HD13 -0.10 -0.02 -0.11 -0.04 0.88 0.61 3ht4E1 HIS 163 H -0.56 0.11 0.09 -0.55 8.41 7.51 3ht4E1 HIS 163 HA -0.01 0.28 0.70 -0.75 4.63 4.84 3ht4E1 HIS 163 HB2 -0.00 -0.22 0.19 -0.04 3.26 3.18 3ht4E1 HIS 163 HB3 -0.00 0.16 -0.07 -0.04 3.20 3.24 3ht4E1 HIS 163 HD2 -0.00 0.10 -0.17 -0.04 6.97 6.86 3ht4E1 HIS 163 HE1 0.00 0.06 -0.13 -0.04 7.75 7.64 3ht4E1 SER 164 H 0.17 0.16 0.13 -0.55 8.46 8.38 3ht4E1 SER 164 HA 0.05 0.14 0.16 -0.75 4.49 4.09 3ht4E1 SER 164 HB2 0.03 0.03 0.13 -0.04 3.95 4.11 3ht4E1 SER 164 HB3 0.04 0.01 0.12 -0.04 3.93 4.06 3ht4E1 ASN 165 H 0.44 -0.03 -0.64 -0.55 8.53 7.76 3ht4E1 ASN 165 HA 0.07 0.26 0.77 -0.75 4.76 5.10 3ht4E1 ASN 165 HB2 0.12 -0.11 -0.04 -0.04 2.88 2.81 3ht4E1 ASN 165 HB3 0.20 0.00 0.05 -0.04 2.79 2.99 3ht4E1 ASN 165 HD21 0.02 0.00 -0.01 -0.04 7.03 7.00 3ht4E1 ASN 165 HD22 0.01 -0.10 -0.06 -0.04 7.74 7.55 3ht4E1 THR 166 H -0.01 0.44 -0.11 -0.55 8.28 8.05 3ht4E1 THR 166 HA -0.05 0.08 0.92 -0.75 4.39 4.58 3ht4E1 THR 166 HB -0.13 0.13 0.22 -0.04 4.32 4.49 3ht4E1 THR 166 HG23 -0.09 -0.00 -0.09 -0.04 1.22 1.00 3ht4E1 LYS 167 H -0.03 0.40 0.27 -0.55 8.42 8.50 3ht4E1 LYS 167 HA -0.03 0.20 0.43 -0.75 4.32 4.16 3ht4E1 LYS 167 HB2 -0.03 0.01 -0.03 -0.04 1.87 1.77 3ht4E1 LYS 167 HB3 -0.05 -0.02 0.12 -0.04 1.79 1.80 3ht4E1 LYS 167 HG2 -0.07 0.01 0.02 -0.04 1.46 1.38 3ht4E1 LYS 167 HG3 -0.07 0.00 0.05 -0.04 1.46 1.40 3ht4E1 LYS 167 HD2 -0.02 0.01 0.00 -0.04 1.69 1.64 3ht4E1 LYS 167 HD3 -0.02 -0.03 -0.02 -0.04 1.68 1.57 3ht4E1 LYS 167 HE2 -0.03 0.01 0.03 -0.04 2.99 2.96 3ht4E1 LYS 167 HE3 -0.03 0.09 0.03 -0.04 2.99 3.04 3ht4E1 ILE 169 HA -0.09 -0.06 0.39 -0.75 4.18 3.66 3ht4E1 ILE 169 HB -0.07 -0.05 0.07 -0.04 1.89 1.80 3ht4E1 ILE 169 HG12 -0.07 0.01 -0.13 -0.04 1.49 1.26 3ht4E1 ILE 169 HG13 -0.07 0.01 -0.11 -0.04 1.21 1.00 3ht4E1 ILE 169 HG23 -0.09 0.01 -0.10 -0.04 0.93 0.70 3ht4E1 ILE 169 HD13 -0.08 -0.03 0.00 -0.04 0.88 0.74 3ht4E1 GLY 170 H -0.27 0.35 0.07 -0.55 8.43 8.03 3ht4E1 GLY 170 HA2 -0.27 0.22 0.86 -0.51 4.01 4.31 3ht4E1 GLY 170 HA3 -1.40 -0.10 0.28 -0.51 4.01 2.28 3ht4E1 ILE 171 H -0.21 0.69 0.38 -0.55 8.25 8.56 3ht4E1 ILE 171 HA -0.00 -0.02 0.82 -0.75 4.18 4.23 3ht4E1 ILE 171 HB -0.09 0.05 0.17 -0.04 1.89 1.97 3ht4E1 ILE 171 HG12 -0.11 -0.06 -0.01 -0.04 1.49 1.27 3ht4E1 ILE 171 HG13 -0.12 0.02 -0.49 -0.04 1.21 0.58 3ht4E1 ILE 171 HG23 -0.01 -0.02 -0.21 -0.04 0.93 0.66 3ht4E1 ILE 171 HD13 -0.08 0.02 -0.06 -0.04 0.88 0.72 3ht4E1 GLN 172 H 0.26 0.19 0.08 -0.55 8.47 8.45 3ht4E1 GLN 172 HA 0.17 -0.00 1.05 -0.75 4.36 4.83 3ht4E1 GLN 172 HB2 0.35 -0.07 0.04 -0.04 2.15 2.43 3ht4E1 GLN 172 HB3 0.25 0.10 0.09 -0.04 2.02 2.41 3ht4E1 GLN 172 HG2 0.12 0.40 -0.19 -0.04 2.40 2.69 3ht4E1 GLN 172 HG3 0.15 -0.10 0.06 -0.04 2.39 2.46 3ht4E1 GLN 172 HE21 0.18 -0.20 -0.03 -0.04 6.97 6.88 3ht4E1 GLN 172 HE22 0.07 0.43 -0.14 -0.04 7.69 8.01 3ht4E1 ARG 173 H 0.07 0.35 0.18 -0.55 8.46 8.51 3ht4E1 ARG 173 HA 0.16 0.05 0.26 -0.75 4.34 4.05 3ht4E1 ARG 173 HB2 0.02 -0.06 -0.07 -0.04 1.90 1.75 3ht4E1 ARG 173 HB3 0.03 0.16 0.11 -0.04 1.80 2.06 3ht4E1 ARG 173 HG2 0.03 -0.01 -0.26 -0.04 1.67 1.38 3ht4E1 ARG 173 HG3 0.05 0.07 -0.04 -0.04 1.67 1.72 3ht4E1 ARG 173 HD2 0.01 -0.03 -0.08 -0.04 3.22 3.08 3ht4E1 ARG 173 HD3 -0.01 -0.06 -0.03 -0.04 3.22 3.08 3ht4E1 SER 174 H 0.04 0.07 -0.01 -0.55 8.46 8.03 3ht4E1 SER 174 HA -0.05 0.07 0.53 -0.75 4.49 4.28 3ht4E1 SER 174 HB2 0.06 0.24 0.07 -0.04 3.95 4.27 3ht4E1 SER 174 HB3 0.02 -0.07 0.03 -0.04 3.93 3.87 3ht4E1 LYS 175 H -0.13 0.08 0.12 -0.55 8.42 7.94 3ht4E1 LYS 175 HA -0.11 0.16 0.30 -0.75 4.32 3.92 3ht4E1 LYS 175 HB2 -0.08 0.22 -0.15 -0.04 1.87 1.82 3ht4E1 LYS 175 HB3 -0.16 0.21 -0.14 -0.04 1.79 1.65 3ht4E1 LYS 175 HG2 -0.13 -0.24 0.12 -0.04 1.46 1.16 3ht4E1 LYS 175 HG3 -0.10 0.12 -0.07 -0.04 1.46 1.37 3ht4E1 LYS 175 HD2 -0.11 -0.08 -0.06 -0.04 1.69 1.40 3ht4E1 LYS 175 HD3 -0.08 -0.06 -0.04 -0.04 1.68 1.46 3ht4E1 LYS 175 HE2 0.02 0.14 -0.18 -0.04 2.99 2.92 3ht4E1 LYS 175 HE3 -0.04 0.03 -0.28 -0.04 2.99 2.67 3ht4E1 GLY 176 H -0.18 -0.05 -0.25 -0.55 8.43 7.40 3ht4E1 GLY 176 HA2 -0.42 -0.02 0.23 -0.51 4.01 3.29 3ht4E1 GLY 176 HA3 -0.23 -0.06 0.52 -0.51 4.01 3.72 3ht4E1 TYR 177 H -0.05 0.01 0.21 -0.55 8.29 7.90 3ht4E1 TYR 177 HA -0.02 0.22 0.60 -0.75 4.56 4.61 3ht4E1 TYR 177 HB2 -0.02 -0.07 0.05 -0.04 3.06 2.98 3ht4E1 TYR 177 HB3 -0.00 0.04 0.03 -0.04 2.98 3.01 3ht4E1 TYR 177 HD2 -0.16 0.01 -0.01 -0.04 7.15 6.95 3ht4E1 TYR 177 HE2 -0.28 -0.02 -0.06 -0.04 6.85 6.46 3ht4E1 ALA 178 H 0.07 0.06 0.07 -0.55 8.40 8.06 3ht4E1 ALA 178 HA 0.07 -0.03 0.50 -0.75 4.34 4.13 3ht4E1 ALA 178 HB3 0.04 0.06 0.09 -0.04 1.41 1.56 3ht4E1 THR 179 H 0.03 0.07 0.12 -0.55 8.28 7.95 3ht4E1 THR 179 HA 0.02 0.19 0.38 -0.75 4.39 4.22 3ht4E1 THR 179 HB 0.02 0.02 0.07 -0.04 4.32 4.39 3ht4E1 THR 179 HG23 0.01 -0.01 -0.01 -0.04 1.22 1.17 3ht4E1 ARG 180 H -0.02 0.01 -0.69 -0.55 8.46 7.21 3ht4E1 ARG 180 HA -0.04 0.20 0.79 -0.75 4.34 4.54 3ht4E1 ARG 180 HB2 -0.08 0.18 0.07 -0.04 1.90 2.03 3ht4E1 ARG 180 HB3 0.00 -0.10 -0.00 -0.04 1.80 1.66 3ht4E1 ARG 180 HG2 0.02 -0.03 -0.03 -0.04 1.67 1.60 3ht4E1 ARG 180 HG3 -0.04 -0.13 -0.06 -0.04 1.67 1.40 3ht4E1 ARG 180 HD2 -0.30 0.05 -0.29 -0.04 3.22 2.63 3ht4E1 ARG 180 HD3 -0.37 0.08 -0.09 -0.04 3.22 2.80 3ht4E1 PRO 181 HA -0.13 -0.01 0.37 -0.51 4.44 4.16 3ht4E1 PRO 181 HB2 -0.15 0.02 -0.08 -0.04 2.28 2.03 3ht4E1 PRO 181 HB3 -0.09 0.00 0.09 -0.04 2.02 1.98 3ht4E1 PRO 181 HG2 -0.04 -0.05 0.02 -0.04 2.03 1.92 3ht4E1 PRO 181 HG3 -0.06 0.04 0.08 -0.04 2.03 2.04 3ht4E1 PRO 181 HD2 -0.07 0.06 0.18 -0.04 3.68 3.81 3ht4E1 PRO 181 HD3 -0.05 0.27 0.29 -0.04 3.65 4.11 3ht4E1 SER 182 H -0.17 0.03 0.16 -0.55 8.46 7.93 3ht4E1 SER 182 HA -0.39 0.24 0.73 -0.75 4.49 4.31 3ht4E1 SER 182 HB2 -0.10 -0.08 0.10 -0.04 3.95 3.82 3ht4E1 SER 182 HB3 -0.09 0.18 0.07 -0.04 3.93 4.05 3ht4E1 PHE 183 H -0.08 0.44 0.19 -0.55 8.34 8.33 3ht4E1 PHE 183 HA 0.00 0.06 0.46 -0.75 4.62 4.39 3ht4E1 PHE 183 HB2 -0.00 0.01 0.03 -0.04 3.15 3.14 3ht4E1 PHE 183 HB3 0.00 -0.06 -0.09 -0.04 3.06 2.87 3ht4E1 PHE 183 HD2 0.01 -0.02 -0.05 -0.04 7.28 7.17 3ht4E1 PHE 183 HE2 0.01 -0.01 0.03 -0.04 7.38 7.37 3ht4E1 PHE 183 HZ -0.01 0.06 -0.04 -0.04 7.32 7.30 3ht4E1 THR 184 H 0.16 0.07 0.13 -0.55 8.28 8.08 3ht4E1 THR 184 HA 0.05 0.24 0.50 -0.75 4.39 4.43 3ht4E1 THR 184 HB 0.04 -0.09 0.13 -0.04 4.32 4.36 3ht4E1 THR 184 HG23 0.03 0.07 -0.09 -0.04 1.22 1.19 3ht4E1 ILE 185 H 0.03 0.22 0.16 -0.55 8.25 8.11 3ht4E1 ILE 185 HA 0.03 0.15 0.31 -0.75 4.18 3.91 3ht4E1 ILE 185 HB 0.02 -0.07 0.14 -0.04 1.89 1.94 3ht4E1 ILE 185 HG12 0.02 -0.04 0.14 -0.04 1.49 1.57 3ht4E1 ILE 185 HG13 0.03 0.15 0.03 -0.04 1.21 1.37 3ht4E1 ILE 185 HG23 0.03 0.02 -0.15 -0.04 0.93 0.79 3ht4E1 ILE 185 HD13 0.01 0.00 -0.08 -0.04 0.88 0.77 3ht4E1 SER 186 H 0.03 0.08 -0.13 -0.55 8.46 7.90 3ht4E1 SER 186 HA 0.03 0.16 0.40 -0.75 4.49 4.32 3ht4E1 SER 186 HB2 0.02 0.07 0.04 -0.04 3.95 4.03 3ht4E1 SER 186 HB3 0.02 0.01 0.07 -0.04 3.93 3.98 3ht4E1 GLN 187 H 0.05 -0.01 -0.32 -0.55 8.47 7.66 3ht4E1 GLN 187 HA 0.05 0.07 0.57 -0.75 4.36 4.29 3ht4E1 GLN 187 HB2 0.13 0.00 0.11 -0.04 2.15 2.35 3ht4E1 GLN 187 HB3 0.08 0.06 0.01 -0.04 2.02 2.13 3ht4E1 GLN 187 HG2 0.09 0.04 0.04 -0.04 2.40 2.53 3ht4E1 GLN 187 HG3 0.08 -0.07 0.02 -0.04 2.39 2.37 3ht4E1 GLN 187 HE21 0.14 0.10 -0.03 -0.04 6.97 7.14 3ht4E1 GLN 187 HE22 0.12 -0.03 -0.00 -0.04 7.69 7.74 3ht4E1 ILE 188 H 0.04 0.38 -0.36 -0.55 8.25 7.76 3ht4E1 ILE 188 HA -0.04 0.10 0.58 -0.75 4.18 4.07 3ht4E1 ILE 188 HB 0.02 0.04 0.03 -0.04 1.89 1.94 3ht4E1 ILE 188 HG12 -0.00 -0.03 -0.13 -0.04 1.49 1.29 3ht4E1 ILE 188 HG13 0.07 -0.02 -0.25 -0.04 1.21 0.97 3ht4E1 ILE 188 HG23 -0.01 -0.00 -0.19 -0.04 0.93 0.68 3ht4E1 ILE 188 HD13 0.05 -0.02 -0.19 -0.04 0.88 0.67 3ht4E1 LYS 189 H 0.03 0.52 0.08 -0.55 8.42 8.49 3ht4E1 LYS 189 HA 0.03 0.24 0.59 -0.75 4.32 4.42 3ht4E1 LYS 189 HB2 0.03 -0.01 0.12 -0.04 1.87 1.97 3ht4E1 LYS 189 HB3 0.03 0.00 0.12 -0.04 1.79 1.90 3ht4E1 LYS 189 HG2 0.03 -0.02 -0.03 -0.04 1.46 1.41 3ht4E1 LYS 189 HG3 0.03 0.10 0.10 -0.04 1.46 1.65 3ht4E1 LYS 189 HD2 0.02 -0.05 -0.02 -0.04 1.69 1.60 3ht4E1 LYS 189 HD3 0.02 -0.04 -0.03 -0.04 1.68 1.58 3ht4E1 LYS 189 HE2 0.02 -0.01 -0.03 -0.04 2.99 2.93 3ht4E1 LYS 189 HE3 0.03 0.05 -0.02 -0.04 2.99 3.01 3ht4E1 GLU 190 H 0.04 0.18 -0.69 -0.55 8.60 7.59 3ht4E1 GLU 190 HA 0.07 0.04 0.21 -0.75 4.29 3.86 3ht4E1 GLU 190 HB2 0.04 -0.02 0.06 -0.04 2.09 2.13 3ht4E1 GLU 190 HB3 0.08 0.20 0.12 -0.04 1.99 2.35 3ht4E1 GLU 190 HG2 0.30 -0.00 0.07 -0.04 2.34 2.67 3ht4E1 GLU 190 HG3 0.01 -0.05 0.06 -0.04 2.34 2.32 3ht4E1 ILE 192 HA 0.01 -0.09 0.21 -0.75 4.18 3.57 3ht4E1 ILE 192 HB 0.01 -0.01 -0.02 -0.04 1.89 1.83 3ht4E1 ILE 192 HG12 0.03 0.00 -0.35 -0.04 1.49 1.14 3ht4E1 ILE 192 HG13 0.03 0.06 -0.09 -0.04 1.21 1.17 3ht4E1 ILE 192 HG23 -0.00 0.08 -0.01 -0.04 0.93 0.96 3ht4E1 ILE 192 HD13 0.04 -0.05 0.00 -0.04 0.88 0.83 3ht4E1 ALA 193 H 0.07 0.45 -0.80 -0.55 8.40 7.56 3ht4E1 ALA 193 HA 0.04 -0.02 0.30 -0.75 4.34 3.91 3ht4E1 ALA 193 HB3 0.07 0.03 0.14 -0.04 1.41 1.61 3ht4E1 PHE 194 H 0.25 0.78 0.27 -0.55 8.34 9.09 3ht4E1 PHE 194 HA 0.04 0.01 0.44 -0.75 4.62 4.36 3ht4E1 PHE 194 HB2 0.14 -0.02 0.09 -0.04 3.15 3.32 3ht4E1 PHE 194 HB3 0.19 0.04 0.04 -0.04 3.06 3.29 3ht4E1 PHE 194 HD2 0.06 -0.01 -0.06 -0.04 7.28 7.24 3ht4E1 PHE 194 HE2 0.05 -0.03 -0.08 -0.04 7.38 7.27 3ht4E1 PHE 194 HZ 0.08 -0.03 0.02 -0.04 7.32 7.36 3ht4E1 VAL 195 H 0.13 0.17 -0.12 -0.55 8.24 7.86 3ht4E1 VAL 195 HA -0.62 -0.04 0.16 -0.75 4.13 2.88 3ht4E1 VAL 195 HB -0.12 0.02 -0.00 -0.04 2.12 1.98 3ht4E1 VAL 195 HG13 0.07 -0.02 -0.06 -0.04 0.97 0.92 3ht4E1 VAL 195 HG23 -0.02 0.04 -0.08 -0.04 0.95 0.85 3ht4E1 LYS 196 H -0.07 0.42 -0.95 -0.55 8.42 7.26 3ht4E1 LYS 196 HA -0.07 0.09 0.23 -0.75 4.32 3.81 3ht4E1 LYS 196 HB2 -0.01 0.19 0.03 -0.04 1.87 2.04 3ht4E1 LYS 196 HB3 -0.02 -0.12 -0.04 -0.04 1.79 1.57 3ht4E1 LYS 196 HG2 -0.02 -0.07 -0.12 -0.04 1.46 1.21 3ht4E1 LYS 196 HG3 0.00 -0.05 -0.12 -0.04 1.46 1.26 3ht4E1 LYS 196 HD2 0.00 -0.08 0.00 -0.04 1.69 1.57 3ht4E1 LYS 196 HD3 -0.02 0.07 -0.09 -0.04 1.68 1.60 3ht4E1 LYS 196 HE2 0.00 -0.10 -0.07 -0.04 2.99 2.78 3ht4E1 LYS 196 HE3 0.03 -0.06 -0.01 -0.04 2.99 2.91 3ht4E1 GLU 197 H -0.11 0.70 0.14 -0.55 8.60 8.78 3ht4E1 GLU 197 HA -0.04 -0.01 0.58 -0.75 4.29 4.06 3ht4E1 GLU 197 HB2 -0.11 0.07 0.14 -0.04 2.09 2.15 3ht4E1 GLU 197 HB3 -0.03 -0.12 0.07 -0.04 1.99 1.87 3ht4E1 GLU 197 HG2 0.00 0.24 0.16 -0.04 2.34 2.70 3ht4E1 GLU 197 HG3 0.06 -0.11 0.06 -0.04 2.34 2.31 3ht4E1 ILE 198 H -0.22 0.27 -0.53 -0.55 8.25 7.21 3ht4E1 ILE 198 HA -0.09 0.07 0.55 -0.75 4.18 3.95 3ht4E1 ILE 198 HB -0.32 0.08 0.02 -0.04 1.89 1.63 3ht4E1 ILE 198 HG12 -0.08 -0.01 -0.00 -0.04 1.49 1.35 3ht4E1 ILE 198 HG13 -0.20 -0.06 -0.18 -0.04 1.21 0.74 3ht4E1 ILE 198 HG23 -0.10 0.00 -0.21 -0.04 0.93 0.59 3ht4E1 ILE 198 HD13 -0.29 -0.00 -0.02 -0.04 0.88 0.52 3ht4E1 LYS 199 H -0.12 0.42 -0.05 -0.55 8.42 8.12 3ht4E1 LYS 199 HA -0.04 0.13 0.80 -0.75 4.32 4.45 3ht4E1 LYS 199 HB2 -0.06 0.04 -0.14 -0.04 1.87 1.68 3ht4E1 LYS 199 HB3 -0.08 0.08 0.10 -0.04 1.79 1.85 3ht4E1 LYS 199 HG2 -0.05 0.10 0.04 -0.04 1.46 1.52 3ht4E1 LYS 199 HG3 -0.04 -0.38 0.04 -0.04 1.46 1.04 3ht4E1 LYS 199 HD2 -0.02 -0.13 0.00 -0.04 1.69 1.51 3ht4E1 LYS 199 HD3 -0.02 0.05 0.01 -0.04 1.68 1.68 3ht4E1 LYS 199 HE2 0.00 -0.04 -0.02 -0.04 2.99 2.89 3ht4E1 LYS 199 HE3 -0.02 0.10 -0.01 -0.04 2.99 3.02 3ht4E1 PRO 200 HA -0.02 0.12 0.42 -0.51 4.44 4.45 3ht4E1 PRO 200 HB2 0.00 -0.03 -0.01 -0.04 2.28 2.21 3ht4E1 PRO 200 HB3 -0.01 0.06 0.11 -0.04 2.02 2.14 3ht4E1 PRO 200 HG2 -0.01 -0.04 0.01 -0.04 2.03 1.96 3ht4E1 PRO 200 HG3 -0.01 0.00 0.02 -0.04 2.03 2.00 3ht4E1 PRO 200 HD2 -0.02 0.08 0.09 -0.04 3.68 3.79 3ht4E1 PRO 200 HD3 -0.03 0.24 -0.17 -0.04 3.65 3.65 3ht4E1 ASP 201 H -0.01 -0.04 -0.65 -0.55 8.40 7.15 3ht4E1 ASP 201 HA 0.02 -0.01 0.30 -0.75 4.63 4.19 3ht4E1 ASP 201 HB2 -0.01 -0.03 0.03 -0.04 2.71 2.66 3ht4E1 ASP 201 HB3 0.00 0.05 -0.12 -0.04 2.70 2.59 3ht4E1 VAL 202 H -0.03 0.24 -0.13 -0.55 8.24 7.77 3ht4E1 VAL 202 HA -0.04 0.03 0.11 -0.75 4.13 3.47 3ht4E1 VAL 202 HB -0.06 0.11 -0.37 -0.04 2.12 1.76 3ht4E1 VAL 202 HG13 -0.06 -0.04 -0.08 -0.04 0.97 0.75 3ht4E1 VAL 202 HG23 -0.06 0.08 -0.09 -0.04 0.95 0.84 3ht4E1 VAL 203 H -0.10 0.40 0.24 -0.55 8.24 8.23 3ht4E1 VAL 203 HA -0.12 0.10 0.95 -0.75 4.13 4.30 3ht4E1 VAL 203 HB -0.59 -0.08 0.03 -0.04 2.12 1.44 3ht4E1 VAL 203 HG13 -0.44 0.01 0.04 -0.04 0.97 0.54 3ht4E1 VAL 203 HG23 -0.20 0.08 0.03 -0.04 0.95 0.82 3ht4E1 VAL 204 H -0.04 0.08 0.14 -0.55 8.24 7.87 3ht4E1 VAL 204 HA -0.04 0.38 1.00 -0.75 4.13 4.71 3ht4E1 VAL 204 HB -0.01 -0.26 0.24 -0.04 2.12 2.05 3ht4E1 VAL 204 HG13 -0.05 0.00 -0.11 -0.04 0.97 0.77 3ht4E1 VAL 204 HG23 -0.02 0.04 -0.03 -0.04 0.95 0.89 3ht4E1 PHE 205 H 0.03 0.95 0.39 -0.55 8.34 9.15 3ht4E1 PHE 205 HA -0.05 0.50 0.72 -0.75 4.62 5.04 3ht4E1 PHE 205 HB2 -0.09 0.00 -0.06 -0.04 3.15 2.97 3ht4E1 PHE 205 HB3 -0.12 0.01 0.03 -0.04 3.06 2.94 3ht4E1 PHE 205 HD2 -0.04 -0.08 -0.16 -0.04 7.28 6.96 3ht4E1 PHE 205 HE2 0.07 -0.07 -0.23 -0.04 7.38 7.11 3ht4E1 PHE 205 HZ 0.03 -0.16 -0.04 -0.04 7.32 7.10 3ht4E1 VAL 206 H -0.86 0.50 0.44 -0.55 8.24 7.76 3ht4E1 VAL 206 HA -0.36 0.26 1.10 -0.75 4.13 4.38 3ht4E1 VAL 206 HB -0.22 -0.04 0.01 -0.04 2.12 1.83 3ht4E1 VAL 206 HG13 -0.10 -0.03 -0.21 -0.04 0.97 0.58 3ht4E1 VAL 206 HG23 -0.11 -0.01 -0.23 -0.04 0.95 0.56 3ht4E1 ASP 207 H -0.15 0.79 0.46 -0.55 8.40 8.95 3ht4E1 ASP 207 HA -0.15 0.23 0.92 -0.75 4.63 4.88 3ht4E1 ASP 207 HB2 0.25 0.06 0.15 -0.04 2.71 3.12 3ht4E1 ASP 207 HB3 0.14 -0.11 0.43 -0.04 2.70 3.12 3ht4E1 ASN 208 H -0.11 0.74 0.30 -0.55 8.53 8.90 3ht4E1 ASN 208 HA -0.03 0.07 0.16 -0.75 4.76 4.20 3ht4E1 ASN 208 HB2 -0.06 0.16 0.05 -0.04 2.88 2.99 3ht4E1 ASN 208 HB3 0.08 -0.04 0.01 -0.04 2.79 2.79 3ht4E1 ASN 208 HD21 -0.31 0.01 -0.06 -0.04 7.03 6.63 3ht4E1 ASN 208 HD22 -0.18 0.01 -0.05 -0.04 7.74 7.48 3ht4E1 CYS 209 H 0.01 0.10 -0.40 -0.55 8.50 7.66 3ht4E1 CYS 209 HA 0.04 -0.12 0.40 -0.75 4.58 4.15 3ht4E1 CYS 209 HB2 0.00 0.07 0.08 -0.04 2.97 3.08 3ht4E1 CYS 209 HB3 -0.08 0.04 0.00 -0.04 2.97 2.89 3ht4E1 TYR 210 H 0.02 0.03 0.25 -0.55 8.29 8.04 3ht4E1 TYR 210 HA 0.03 -0.01 0.42 -0.75 4.56 4.24 3ht4E1 TYR 210 HB2 -0.03 0.45 -0.06 -0.04 3.06 3.38 3ht4E1 TYR 210 HB3 -0.02 -0.15 0.18 -0.04 2.98 2.95 3ht4E1 TYR 210 HD2 -0.05 0.00 -0.05 -0.04 7.15 7.01 3ht4E1 TYR 210 HE2 -0.07 0.10 -0.10 -0.04 6.85 6.73 3ht4E1 GLY 211 H 0.08 0.38 -0.16 -0.55 8.43 8.19 3ht4E1 GLY 211 HA2 0.05 0.23 0.60 -0.51 4.01 4.38 3ht4E1 GLY 211 HA3 0.02 0.07 0.27 -0.51 4.01 3.85 3ht4E1 GLU 212 H 0.03 -0.11 -0.05 -0.55 8.60 7.93 3ht4E1 GLU 212 HA -0.28 0.04 0.21 -0.75 4.29 3.51 3ht4E1 GLU 212 HB2 0.02 -0.08 0.03 -0.04 2.09 2.02 3ht4E1 GLU 212 HB3 -0.32 0.10 -0.05 -0.04 1.99 1.68 3ht4E1 GLU 212 HG2 0.04 0.04 -0.06 -0.04 2.34 2.32 3ht4E1 GLU 212 HG3 -0.27 0.06 -0.04 -0.04 2.34 2.06 3ht4E1 PHE 213 H -0.16 0.15 0.13 -0.55 8.34 7.90 3ht4E1 PHE 213 HA -0.00 0.10 0.27 -0.75 4.62 4.24 3ht4E1 PHE 213 HB2 -0.00 0.16 -0.60 -0.04 3.15 2.66 3ht4E1 PHE 213 HB3 -0.04 -0.00 0.08 -0.04 3.06 3.06 3ht4E1 PHE 213 HD2 -0.05 0.03 -0.16 -0.04 7.28 7.06 3ht4E1 PHE 213 HE2 -0.52 0.05 -0.03 -0.04 7.38 6.83 3ht4E1 PHE 213 HZ -1.04 0.01 -0.05 -0.04 7.32 6.19 3ht4E1 ILE 214 H 0.07 0.17 -0.39 -0.55 8.25 7.55 3ht4E1 ILE 214 HA 0.08 0.19 0.85 -0.75 4.18 4.55 3ht4E1 ILE 214 HB 0.07 0.01 -0.14 -0.04 1.89 1.78 3ht4E1 ILE 214 HG12 0.04 -0.09 -0.73 -0.04 1.49 0.67 3ht4E1 ILE 214 HG13 0.04 0.04 -0.66 -0.04 1.21 0.58 3ht4E1 ILE 214 HG23 0.06 0.14 -0.27 -0.04 0.93 0.82 3ht4E1 ILE 214 HD13 0.04 -0.03 -0.16 -0.04 0.88 0.69 3ht4E1 GLU 215 H 0.04 0.08 0.08 -0.55 8.60 8.26 3ht4E1 GLU 215 HA 0.04 0.22 0.69 -0.75 4.29 4.48 3ht4E1 GLU 215 HB2 0.02 0.13 0.15 -0.04 2.09 2.36 3ht4E1 GLU 215 HB3 0.03 -0.19 0.25 -0.04 1.99 2.03 3ht4E1 GLU 215 HG2 0.02 0.16 0.13 -0.04 2.34 2.61 3ht4E1 GLU 215 HG3 0.02 0.06 0.00 -0.04 2.34 2.39 3ht4E1 GLU 216 H 0.03 0.10 0.13 -0.55 8.60 8.32 3ht4E1 GLU 216 HA 0.08 0.17 0.40 -0.75 4.29 4.19 3ht4E1 GLU 216 HB2 0.01 -0.05 0.11 -0.04 2.09 2.12 3ht4E1 GLU 216 HB3 0.01 0.04 0.04 -0.04 1.99 2.04 3ht4E1 GLU 216 HG2 0.02 0.01 0.01 -0.04 2.34 2.33 3ht4E1 GLU 216 HG3 0.03 0.04 -0.06 -0.04 2.34 2.30 3ht4E1 GLN 217 H 0.05 0.04 -0.13 -0.55 8.47 7.89 3ht4E1 GLN 217 HA 0.27 0.24 0.81 -0.75 4.36 4.93 3ht4E1 GLN 217 HB2 0.03 -0.13 0.01 -0.04 2.15 2.02 3ht4E1 GLN 217 HB3 0.15 0.15 -0.01 -0.04 2.02 2.28 3ht4E1 GLN 217 HG2 -0.55 0.12 0.00 -0.04 2.40 1.94 3ht4E1 GLN 217 HG3 -0.10 -0.10 -0.33 -0.04 2.39 1.81 3ht4E1 GLN 217 HE21 -0.08 0.01 -0.07 -0.04 6.97 6.79 3ht4E1 GLN 217 HE22 -0.41 0.06 -0.02 -0.04 7.69 7.27 3ht4E1 GLU 218 H 0.29 0.22 0.07 -0.55 8.60 8.63 3ht4E1 GLU 218 HA -0.11 0.18 0.81 -0.75 4.29 4.42 3ht4E1 GLU 218 HB2 -0.30 0.17 0.10 -0.04 2.09 2.02 3ht4E1 GLU 218 HB3 -0.42 -0.01 0.17 -0.04 1.99 1.69 3ht4E1 GLU 218 HG2 -0.27 0.08 -0.05 -0.04 2.34 2.06 3ht4E1 GLU 218 HG3 -1.68 0.01 -0.00 -0.04 2.34 0.62 3ht4E1 PRO 219 HA 0.00 0.11 0.28 -0.51 4.44 4.31 3ht4E1 PRO 219 HB2 -0.06 0.05 -0.04 -0.04 2.28 2.19 3ht4E1 PRO 219 HB3 -0.04 0.08 -0.04 -0.04 2.02 1.98 3ht4E1 PRO 219 HG2 -0.09 0.05 -0.02 -0.04 2.03 1.93 3ht4E1 PRO 219 HG3 -0.05 0.07 -0.02 -0.04 2.03 1.98 3ht4E1 PRO 219 HD2 -0.18 0.13 0.16 -0.04 3.68 3.75 3ht4E1 PRO 219 HD3 -0.15 0.13 0.17 -0.04 3.65 3.77 3ht4E1 CYS 220 H -0.05 0.18 -0.11 -0.55 8.50 7.98 3ht4E1 CYS 220 HA 0.03 0.04 0.43 -0.75 4.58 4.32 3ht4E1 CYS 220 HB2 -0.02 0.25 -0.13 -0.04 2.97 3.03 3ht4E1 CYS 220 HB3 0.03 0.16 -0.12 -0.04 2.97 2.99 3ht4E1 HIS 221 H 0.02 0.12 -0.74 -0.55 8.41 7.27 3ht4E1 HIS 221 HA 0.05 0.14 0.59 -0.75 4.63 4.66 3ht4E1 HIS 221 HB2 0.02 0.40 0.10 -0.04 3.26 3.74 3ht4E1 HIS 221 HB3 0.03 -0.07 -0.05 -0.04 3.20 3.06 3ht4E1 HIS 221 HD2 0.06 0.02 0.06 -0.04 6.97 7.07 3ht4E1 HIS 221 HE1 0.12 0.14 0.12 -0.04 7.75 8.09 3ht4E1 VAL 222 H 0.09 0.42 -0.17 -0.55 8.24 8.03 3ht4E1 VAL 222 HA 0.07 0.17 0.68 -0.75 4.13 4.30 3ht4E1 VAL 222 HB 0.04 -0.02 0.19 -0.04 2.12 2.29 3ht4E1 VAL 222 HG13 0.05 -0.03 -0.13 -0.04 0.97 0.81 3ht4E1 VAL 222 HG23 0.04 0.03 -0.01 -0.04 0.95 0.96 3ht4E1 GLY 223 H 0.06 0.26 -0.46 -0.55 8.43 7.75 3ht4E1 GLY 223 HA2 0.05 0.02 0.16 -0.51 4.01 3.73 3ht4E1 GLY 223 HA3 0.04 0.11 0.28 -0.51 4.01 3.93 3ht4E1 ALA 224 H 0.04 0.17 -0.08 -0.55 8.40 7.98 3ht4E1 ALA 224 HA 0.02 0.15 0.71 -0.75 4.34 4.47 3ht4E1 ALA 224 HB3 -0.01 -0.02 -0.26 -0.04 1.41 1.08 3ht4E1 ASP 225 H 0.04 0.26 0.24 -0.55 8.40 8.39 3ht4E1 ASP 225 HA 0.17 0.08 0.62 -0.75 4.63 4.74 3ht4E1 ASP 225 HB2 -0.00 0.16 0.16 -0.04 2.71 2.99 3ht4E1 ASP 225 HB3 0.51 -0.10 0.20 -0.04 2.70 3.28 3ht4E1 LEU 226 H 0.06 0.19 -0.05 -0.55 8.37 8.03 3ht4E1 LEU 226 HA 0.16 0.08 0.40 -0.75 4.35 4.24 3ht4E1 LEU 226 HB2 0.07 0.05 -0.39 -0.04 1.64 1.32 3ht4E1 LEU 226 HB3 0.33 -0.02 0.05 -0.04 1.64 1.95 3ht4E1 LEU 226 HG 0.18 -0.05 -0.08 -0.04 1.64 1.65 3ht4E1 LEU 226 HD13 0.02 0.01 -0.15 -0.04 0.93 0.78 3ht4E1 LEU 226 HD23 0.20 0.01 -0.19 -0.04 0.89 0.87 3ht4E1 ALA 228 HA -0.26 0.11 0.45 -0.75 4.34 3.89 3ht4E1 ALA 228 HB3 0.27 -0.05 -0.02 -0.04 1.41 1.57 3ht4E1 GLY 229 H -0.65 0.46 0.37 -0.55 8.43 8.07 3ht4E1 GLY 229 HA2 -0.12 -0.01 0.64 -0.51 4.01 4.00 3ht4E1 GLY 229 HA3 -0.33 0.05 0.25 -0.51 4.01 3.48 3ht4E1 SER 230 H 0.12 0.14 0.18 -0.55 8.46 8.35 3ht4E1 SER 230 HA 0.08 0.25 0.84 -0.75 4.49 4.91 3ht4E1 SER 230 HB2 0.02 -0.14 0.07 -0.04 3.95 3.85 3ht4E1 SER 230 HB3 -0.01 -0.02 0.14 -0.04 3.93 4.00 3ht4E1 LEU 231 H 0.12 0.89 0.28 -0.55 8.37 9.11 3ht4E1 LEU 231 HA 0.22 0.05 0.17 -0.75 4.35 4.04 3ht4E1 LEU 231 HB2 0.09 0.22 -0.29 -0.04 1.64 1.62 3ht4E1 LEU 231 HB3 0.11 -0.01 -0.24 -0.04 1.64 1.46 3ht4E1 LEU 231 HG 0.17 -0.11 -0.52 -0.04 1.64 1.14 3ht4E1 LEU 231 HD13 -0.02 0.00 -0.21 -0.04 0.93 0.66 3ht4E1 LEU 231 HD23 0.17 -0.02 -0.31 -0.04 0.89 0.70 3ht4E1 ILE 232 H 0.07 0.12 -0.14 -0.55 8.25 7.75 3ht4E1 ILE 232 HA 0.07 0.25 0.44 -0.75 4.18 4.18 3ht4E1 ILE 232 HB 0.05 0.07 -0.01 -0.04 1.89 1.96 3ht4E1 ILE 232 HG12 0.03 -0.13 -0.03 -0.04 1.49 1.32 3ht4E1 ILE 232 HG13 0.02 -0.09 -0.29 -0.04 1.21 0.80 3ht4E1 ILE 232 HG23 0.05 0.05 -0.30 -0.04 0.93 0.69 3ht4E1 ILE 232 HD13 0.03 0.02 -0.18 -0.04 0.88 0.71 3ht4E1 LYS 233 H 0.07 0.11 -0.95 -0.55 8.42 7.09 3ht4E1 LYS 233 HA 0.00 0.08 0.75 -0.75 4.32 4.40 3ht4E1 LYS 233 HB2 -0.01 0.13 0.12 -0.04 1.87 2.06 3ht4E1 LYS 233 HB3 -0.12 -0.09 0.19 -0.04 1.79 1.73 3ht4E1 LYS 233 HG2 -0.25 0.02 -0.01 -0.04 1.46 1.18 3ht4E1 LYS 233 HG3 -0.09 -0.05 -0.25 -0.04 1.46 1.02 3ht4E1 LYS 233 HD2 -0.17 -0.12 0.06 -0.04 1.69 1.42 3ht4E1 LYS 233 HD3 -0.57 -0.03 0.04 -0.04 1.68 1.08 3ht4E1 LYS 233 HE2 -0.36 0.09 -0.01 -0.04 2.99 2.67 3ht4E1 LYS 233 HE3 -0.19 -0.06 0.01 -0.04 2.99 2.71 3ht4E1 ASN 234 H 0.05 0.01 0.09 -0.55 8.53 8.13 3ht4E1 ASN 234 HA 0.12 0.12 0.21 -0.75 4.76 4.45 3ht4E1 ASN 234 HB2 0.12 -0.17 0.12 -0.04 2.88 2.91 3ht4E1 ASN 234 HB3 0.16 0.18 -0.11 -0.04 2.79 2.98 3ht4E1 ASN 234 HD21 0.13 0.07 -0.13 -0.04 7.03 7.06 3ht4E1 ASN 234 HD22 0.14 0.40 -0.06 -0.04 7.74 8.18 3ht4E1 PRO 235 HA 0.29 0.12 0.14 -0.51 4.44 4.48 3ht4E1 PRO 235 HB2 0.32 0.06 -0.13 -0.04 2.28 2.50 3ht4E1 PRO 235 HB3 0.22 -0.00 -0.03 -0.04 2.02 2.16 3ht4E1 PRO 235 HG2 0.27 0.05 -0.18 -0.04 2.03 2.13 3ht4E1 PRO 235 HG3 0.28 -0.04 -0.17 -0.04 2.03 2.06 3ht4E1 PRO 235 HD2 0.17 0.03 -0.40 -0.04 3.68 3.43 3ht4E1 PRO 235 HD3 0.18 -0.04 0.06 -0.04 3.65 3.81 3ht4E1 GLY 236 H 0.17 0.31 -0.46 -0.55 8.43 7.90 3ht4E1 GLY 236 HA2 0.19 0.01 0.43 -0.51 4.01 4.12 3ht4E1 GLY 236 HA3 0.13 0.32 0.34 -0.51 4.01 4.30 3ht4E1 GLY 237 H 0.14 0.54 -0.31 -0.55 8.43 8.25 3ht4E1 GLY 237 HA2 0.08 0.05 0.22 -0.51 4.01 3.85 3ht4E1 GLY 237 HA3 0.09 0.16 0.37 -0.51 4.01 4.12 3ht4E1 GLY 238 H 0.08 0.13 -0.56 -0.55 8.43 7.53 3ht4E1 GLY 238 HA2 0.07 0.00 0.13 -0.51 4.01 3.69 3ht4E1 GLY 238 HA3 0.04 0.08 0.49 -0.51 4.01 4.12 3ht4E1 ILE 239 H 0.06 0.38 -0.31 -0.55 8.25 7.84 3ht4E1 ILE 239 HA -0.00 0.13 0.73 -0.75 4.18 4.28 3ht4E1 ILE 239 HB 0.06 0.18 0.09 -0.04 1.89 2.18 3ht4E1 ILE 239 HG12 -0.02 -0.05 -0.04 -0.04 1.49 1.35 3ht4E1 ILE 239 HG13 0.01 0.08 -0.19 -0.04 1.21 1.07 3ht4E1 ILE 239 HG23 0.03 -0.04 -0.20 -0.04 0.93 0.68 3ht4E1 ILE 239 HD13 0.02 -0.02 -0.13 -0.04 0.88 0.72 3ht4E1 VAL 240 H 0.07 0.21 0.09 -0.55 8.24 8.06 3ht4E1 VAL 240 HA 0.04 0.04 0.38 -0.75 4.13 3.84 3ht4E1 VAL 240 HB 0.05 -0.03 -0.04 -0.04 2.12 2.06 3ht4E1 VAL 240 HG13 0.07 0.03 -0.00 -0.04 0.97 1.02 3ht4E1 VAL 240 HG23 0.09 -0.04 -0.17 -0.04 0.95 0.80 3ht4E1 LYS 241 H 0.04 0.09 0.18 -0.55 8.42 8.18 3ht4E1 LYS 241 HA 0.05 0.17 0.26 -0.75 4.32 4.05 3ht4E1 LYS 241 HB2 0.04 -0.02 0.08 -0.04 1.87 1.93 3ht4E1 LYS 241 HB3 0.04 -0.01 0.10 -0.04 1.79 1.88 3ht4E1 LYS 241 HG2 0.04 0.14 -0.09 -0.04 1.46 1.52 3ht4E1 LYS 241 HG3 0.04 -0.03 0.08 -0.04 1.46 1.51 3ht4E1 LYS 241 HD2 0.04 -0.02 0.03 -0.04 1.69 1.70 3ht4E1 LYS 241 HD3 0.04 0.03 0.01 -0.04 1.68 1.72 3ht4E1 LYS 241 HE2 0.04 -0.02 0.02 -0.04 2.99 2.99 3ht4E1 LYS 241 HE3 0.04 -0.03 0.02 -0.04 2.99 2.98 3ht4E1 THR 242 H 0.04 0.15 0.01 -0.55 8.28 7.93 3ht4E1 THR 242 HA 0.04 0.06 0.58 -0.75 4.39 4.32 3ht4E1 THR 242 HB 0.03 0.05 -0.37 -0.04 4.32 4.00 3ht4E1 THR 242 HG23 0.03 -0.01 -0.19 -0.04 1.22 1.01 3ht4E1 GLY 243 H 0.05 0.29 0.24 -0.55 8.43 8.47 3ht4E1 GLY 243 HA2 0.05 0.41 0.28 -0.51 4.01 4.24 3ht4E1 GLY 243 HA3 0.03 0.13 0.49 -0.51 4.01 4.14 3ht4E1 GLY 244 H 0.03 0.45 0.20 -0.55 8.43 8.56 3ht4E1 GLY 244 HA2 0.11 -0.15 0.90 -0.51 4.01 4.36 3ht4E1 GLY 244 HA3 0.03 0.08 0.37 -0.51 4.01 3.97 3ht4E1 TYR 245 H -0.12 0.45 0.29 -0.55 8.29 8.36 3ht4E1 TYR 245 HA -0.06 0.26 0.68 -0.75 4.56 4.69 3ht4E1 TYR 245 HB2 -0.04 0.02 -0.08 -0.04 3.06 2.91 3ht4E1 TYR 245 HB3 -0.03 0.06 -0.32 -0.04 2.98 2.66 3ht4E1 TYR 245 HD2 0.19 -0.01 -0.47 -0.04 7.15 6.83 3ht4E1 TYR 245 HE2 0.22 -0.00 -0.17 -0.04 6.85 6.85 3ht4E1 ILE 246 H 0.07 0.62 0.13 -0.55 8.25 8.52 3ht4E1 ILE 246 HA 0.05 0.15 0.84 -0.75 4.18 4.46 3ht4E1 ILE 246 HB 0.02 0.02 0.17 -0.04 1.89 2.07 3ht4E1 ILE 246 HG12 0.00 0.03 -0.04 -0.04 1.49 1.44 3ht4E1 ILE 246 HG13 -0.04 -0.12 -0.23 -0.04 1.21 0.78 3ht4E1 ILE 246 HG23 0.08 0.01 -0.18 -0.04 0.93 0.80 3ht4E1 ILE 246 HD13 -0.05 0.03 -0.07 -0.04 0.88 0.76 3ht4E1 VAL 247 H 0.25 0.27 0.01 -0.55 8.24 8.22 3ht4E1 VAL 247 HA 0.14 0.21 1.05 -0.75 4.13 4.77 3ht4E1 VAL 247 HB 0.25 -0.09 -0.15 -0.04 2.12 2.08 3ht4E1 VAL 247 HG13 0.53 -0.01 -0.02 -0.04 0.97 1.43 3ht4E1 VAL 247 HG23 0.15 0.10 -0.20 -0.04 0.95 0.96 3ht4E1 GLY 248 H 0.11 0.28 0.08 -0.55 8.43 8.35 3ht4E1 GLY 248 HA2 0.13 0.18 0.59 -0.51 4.01 4.39 3ht4E1 GLY 248 HA3 0.16 0.07 0.33 -0.51 4.01 4.06 3ht4E1 LYS 249 H 0.22 0.80 0.34 -0.55 8.42 9.22 3ht4E1 LYS 249 HA 0.03 0.01 0.46 -0.75 4.32 4.06 3ht4E1 LYS 249 HB2 -0.09 0.00 0.23 -0.04 1.87 1.97 3ht4E1 LYS 249 HB3 -0.12 -0.06 0.16 -0.04 1.79 1.72 3ht4E1 LYS 249 HG2 0.09 0.02 0.14 -0.04 1.46 1.67 3ht4E1 LYS 249 HG3 0.22 0.06 0.29 -0.04 1.46 1.99 3ht4E1 LYS 249 HD2 0.01 -0.01 0.08 -0.04 1.69 1.73 3ht4E1 LYS 249 HD3 0.02 -0.05 0.07 -0.04 1.68 1.68 3ht4E1 LYS 249 HE2 0.13 0.01 -0.07 -0.04 2.99 3.02 3ht4E1 LYS 249 HE3 0.07 0.02 -0.02 -0.04 2.99 3.02 3ht4E1 GLU 250 H -0.04 0.19 0.23 -0.55 8.60 8.43 3ht4E1 GLU 250 HA -0.01 0.07 0.19 -0.75 4.29 3.79 3ht4E1 GLU 250 HB2 -0.02 0.05 0.16 -0.04 2.09 2.24 3ht4E1 GLU 250 HB3 -0.05 -0.01 0.18 -0.04 1.99 2.07 3ht4E1 GLU 250 HG2 -0.02 0.02 -0.03 -0.04 2.34 2.27 3ht4E1 GLU 250 HG3 -0.02 -0.03 -0.04 -0.04 2.34 2.21 3ht4E1 GLN 251 H -0.19 0.08 -0.17 -0.55 8.47 7.64 3ht4E1 GLN 251 HA -0.05 0.06 0.33 -0.75 4.36 3.95 3ht4E1 GLN 251 HB2 -0.09 0.06 0.05 -0.04 2.15 2.13 3ht4E1 GLN 251 HB3 -0.13 -0.02 0.08 -0.04 2.02 1.92 3ht4E1 GLN 251 HG2 -0.91 0.02 -0.04 -0.04 2.40 1.43 3ht4E1 GLN 251 HG3 -0.38 0.10 -0.02 -0.04 2.39 2.04 3ht4E1 GLN 251 HE21 -0.24 0.01 0.03 -0.04 6.97 6.73 3ht4E1 GLN 251 HE22 -0.43 0.11 0.02 -0.04 7.69 7.34 3ht4E1 TYR 252 H -0.23 0.19 -0.13 -0.55 8.29 7.57 3ht4E1 TYR 252 HA 0.01 0.13 0.45 -0.75 4.56 4.40 3ht4E1 TYR 252 HB2 0.04 0.02 0.12 -0.04 3.06 3.20 3ht4E1 TYR 252 HB3 0.03 0.03 -0.00 -0.04 2.98 3.00 3ht4E1 TYR 252 HD2 0.02 0.10 0.05 -0.04 7.15 7.28 3ht4E1 TYR 252 HE2 0.01 0.03 0.04 -0.04 6.85 6.90 3ht4E1 VAL 253 H 0.09 0.53 -0.25 -0.55 8.24 8.06 3ht4E1 VAL 253 HA 0.06 0.05 0.32 -0.75 4.13 3.80 3ht4E1 VAL 253 HB 0.01 0.09 -0.09 -0.04 2.12 2.09 3ht4E1 VAL 253 HG13 0.01 -0.01 -0.33 -0.04 0.97 0.59 3ht4E1 VAL 253 HG23 0.07 0.05 -0.29 -0.04 0.95 0.75 3ht4E1 GLU 254 H -0.00 0.44 -0.17 -0.55 8.60 8.32 3ht4E1 GLU 254 HA -0.14 -0.04 0.48 -0.75 4.29 3.83 3ht4E1 GLU 254 HB2 0.01 0.15 0.15 -0.04 2.09 2.36 3ht4E1 GLU 254 HB3 -0.06 -0.08 0.07 -0.04 1.99 1.88 3ht4E1 GLU 254 HG2 -0.03 0.45 0.16 -0.04 2.34 2.89 3ht4E1 GLU 254 HG3 -0.01 -0.06 0.01 -0.04 2.34 2.24 3ht4E1 ALA 255 H 0.06 0.50 -0.18 -0.55 8.40 8.24 3ht4E1 ALA 255 HA 0.13 -0.04 0.42 -0.75 4.34 4.09 3ht4E1 ALA 255 HB3 0.10 0.18 0.13 -0.04 1.41 1.77 3ht4E1 CYS 256 H 0.03 0.43 -0.21 -0.55 8.50 8.20 3ht4E1 CYS 256 HA 0.00 0.09 0.36 -0.75 4.58 4.28 3ht4E1 CYS 256 HB2 -0.00 0.06 0.06 -0.04 2.97 3.04 3ht4E1 CYS 256 HB3 -0.02 -0.08 -0.04 -0.04 2.97 2.79 3ht4E1 ALA 257 H -0.07 0.39 -0.43 -0.55 8.40 7.74 3ht4E1 ALA 257 HA -0.09 -0.00 0.29 -0.75 4.34 3.78 3ht4E1 ALA 257 HB3 -0.29 -0.00 0.16 -0.04 1.41 1.24 3ht4E1 TYR 258 H -0.22 0.49 0.07 -0.55 8.29 8.08 3ht4E1 TYR 258 HA 0.00 -0.10 0.37 -0.75 4.56 4.07 3ht4E1 TYR 258 HB2 0.00 0.20 0.05 -0.04 3.06 3.28 3ht4E1 TYR 258 HB3 0.00 -0.08 -0.20 -0.04 2.98 2.66 3ht4E1 TYR 258 HD2 0.01 0.21 0.11 -0.04 7.15 7.43 3ht4E1 TYR 258 HE2 0.01 -0.01 -0.07 -0.04 6.85 6.74 3ht4E1 ARG 259 H 0.08 0.41 -0.42 -0.55 8.46 7.97 3ht4E1 ARG 259 HA 0.05 0.01 0.26 -0.75 4.34 3.91 3ht4E1 ARG 259 HB2 0.05 0.07 0.03 -0.04 1.90 2.01 3ht4E1 ARG 259 HB3 0.03 0.08 0.08 -0.04 1.80 1.95 3ht4E1 ARG 259 HG2 0.06 -0.03 -0.37 -0.04 1.67 1.29 3ht4E1 ARG 259 HG3 0.02 -0.02 -0.27 -0.04 1.67 1.36 3ht4E1 ARG 259 HD2 0.01 -0.01 0.10 -0.04 3.22 3.29 3ht4E1 ARG 259 HD3 0.02 0.03 -0.09 -0.04 3.22 3.14 3ht4E1 LEU 260 H -0.00 0.51 -0.20 -0.55 8.37 8.13 3ht4E1 LEU 260 HA -0.01 0.01 0.58 -0.75 4.35 4.18 3ht4E1 LEU 260 HB2 -0.06 0.02 0.09 -0.04 1.64 1.65 3ht4E1 LEU 260 HB3 -0.04 0.12 0.10 -0.04 1.64 1.79 3ht4E1 LEU 260 HG -0.02 -0.01 -0.14 -0.04 1.64 1.43 3ht4E1 LEU 260 HD13 -0.12 0.01 -0.05 -0.04 0.93 0.72 3ht4E1 LEU 260 HD23 -0.06 -0.05 -0.15 -0.04 0.89 0.58 3ht4E1 THR 261 H 0.03 0.23 -0.45 -0.55 8.28 7.54 3ht4E1 THR 261 HA 0.02 0.15 0.93 -0.75 4.39 4.74 3ht4E1 THR 261 HB 0.03 -0.10 0.04 -0.04 4.32 4.24 3ht4E1 THR 261 HG23 -0.00 0.02 -0.16 -0.04 1.22 1.04 3ht4E1 SER 262 H 0.11 0.03 0.32 -0.55 8.46 8.36 3ht4E1 SER 262 HA 0.06 0.21 0.40 -0.75 4.49 4.41 3ht4E1 SER 262 HB2 0.03 0.14 0.24 -0.04 3.95 4.32 3ht4E1 SER 262 HB3 0.04 -0.15 -0.20 -0.04 3.93 3.58 3ht4E1 PRO 263 HA -0.28 0.02 0.70 -0.51 4.44 4.37 3ht4E1 PRO 263 HB2 -0.07 0.01 0.09 -0.04 2.28 2.27 3ht4E1 PRO 263 HB3 -0.18 0.03 0.11 -0.04 2.02 1.93 3ht4E1 PRO 263 HG2 -0.04 0.05 0.09 -0.04 2.03 2.08 3ht4E1 PRO 263 HG3 -0.08 0.09 0.06 -0.04 2.03 2.06 3ht4E1 PRO 263 HD2 0.01 0.11 0.24 -0.04 3.68 4.00 3ht4E1 PRO 263 HD3 0.03 0.26 0.08 -0.04 3.65 3.98 3ht4E1 GLY 264 H -0.08 0.16 0.11 -0.55 8.43 8.07 3ht4E1 GLY 264 HA2 0.02 0.00 0.31 -0.51 4.01 3.84 3ht4E1 GLY 264 HA3 0.00 0.12 0.37 -0.51 4.01 4.00 3ht4E1 ILE 265 H 0.13 0.20 -0.85 -0.55 8.25 7.18 3ht4E1 ILE 265 HA 0.12 0.16 0.80 -0.75 4.18 4.51 3ht4E1 ILE 265 HB 0.09 -0.06 0.14 -0.04 1.89 2.02 3ht4E1 ILE 265 HG12 0.04 -0.01 -0.05 -0.04 1.49 1.42 3ht4E1 ILE 265 HG13 0.04 0.05 -0.21 -0.04 1.21 1.06 3ht4E1 ILE 265 HG23 0.04 0.04 -0.10 -0.04 0.93 0.87 3ht4E1 ILE 265 HD13 0.01 0.01 -0.09 -0.04 0.88 0.76 3ht4E1 GLY 266 H 0.17 0.29 0.22 -0.55 8.43 8.56 3ht4E1 GLY 266 HA2 -0.15 0.09 0.17 -0.51 4.01 3.61 3ht4E1 GLY 266 HA3 -0.17 0.03 0.48 -0.51 4.01 3.84 3ht4E1 ALA 267 H -0.19 0.14 0.13 -0.55 8.40 7.93 3ht4E1 ALA 267 HA -0.06 0.21 0.50 -0.75 4.34 4.24 3ht4E1 ALA 267 HB3 -0.08 0.01 0.13 -0.04 1.41 1.43 3ht4E1 GLU 268 H 0.03 0.20 -0.89 -0.55 8.60 7.39 3ht4E1 GLU 268 HA 0.07 0.07 0.55 -0.75 4.29 4.24 3ht4E1 GLU 268 HB2 0.23 0.11 -0.02 -0.04 2.09 2.37 3ht4E1 GLU 268 HB3 0.18 -0.12 0.05 -0.04 1.99 2.07 3ht4E1 GLU 268 HG2 0.03 -0.16 -0.04 -0.04 2.34 2.12 3ht4E1 GLU 268 HG3 0.07 0.11 0.03 -0.04 2.34 2.51 3ht4E1 ALA 269 H 0.02 0.22 -0.14 -0.55 8.40 7.95 3ht4E1 ALA 269 HA -0.22 0.25 0.70 -0.75 4.34 4.31 3ht4E1 ALA 269 HB3 -0.29 -0.03 -0.04 -0.04 1.41 1.01 3ht4E1 GLY 270 H -0.13 0.85 0.08 -0.55 8.43 8.69 3ht4E1 GLY 270 HA2 -0.04 -0.04 0.29 -0.51 4.01 3.70 3ht4E1 GLY 270 HA3 -0.04 0.15 0.58 -0.51 4.01 4.18 3ht4E1 ALA 271 H -0.06 0.21 -0.17 -0.55 8.40 7.83 3ht4E1 ALA 271 HA -0.05 -0.10 0.22 -0.75 4.34 3.66 3ht4E1 ALA 271 HB3 -0.08 0.05 -0.21 -0.04 1.41 1.13 3ht4E1 SER 272 H -0.03 0.03 0.26 -0.55 8.46 8.17 3ht4E1 SER 272 HA -0.03 0.11 0.50 -0.75 4.49 4.32 3ht4E1 SER 272 HB2 0.01 -0.02 0.08 -0.04 3.95 3.98 3ht4E1 SER 272 HB3 -0.00 0.03 0.17 -0.04 3.93 4.08 3ht4E1 LEU 273 H -0.10 0.36 0.02 -0.55 8.37 8.10 3ht4E1 LEU 273 HA -0.34 0.03 0.30 -0.75 4.35 3.60 3ht4E1 LEU 273 HB2 -0.11 0.29 0.44 -0.04 1.64 2.22 3ht4E1 LEU 273 HB3 -0.35 -0.13 0.26 -0.04 1.64 1.38 3ht4E1 LEU 273 HG -0.11 0.13 -0.22 -0.04 1.64 1.40 3ht4E1 LEU 273 HD13 -0.11 0.00 0.01 -0.04 0.93 0.79 3ht4E1 LEU 273 HD23 -0.22 0.01 0.07 -0.04 0.89 0.71 3ht4E1 TYR 274 H -0.10 0.19 0.09 -0.55 8.29 7.92 3ht4E1 TYR 274 HA 0.03 0.15 0.37 -0.75 4.56 4.36 3ht4E1 TYR 274 HB2 0.01 0.04 0.17 -0.04 3.06 3.24 3ht4E1 TYR 274 HB3 0.01 0.02 0.20 -0.04 2.98 3.17 3ht4E1 TYR 274 HD2 0.01 0.05 -0.02 -0.04 7.15 7.15 3ht4E1 TYR 274 HE2 0.01 0.02 -0.01 -0.04 6.85 6.82 3ht4E1 SER 275 H 0.07 0.34 -0.37 -0.55 8.46 7.95 3ht4E1 SER 275 HA 0.06 0.18 0.82 -0.75 4.49 4.80 3ht4E1 SER 275 HB2 0.02 0.19 0.02 -0.04 3.95 4.13 3ht4E1 SER 275 HB3 0.02 0.01 0.14 -0.04 3.93 4.06 3ht4E1 LEU 276 H 0.10 0.13 -0.07 -0.55 8.37 7.99 3ht4E1 LEU 276 HA 0.06 0.18 0.34 -0.75 4.35 4.18 3ht4E1 LEU 276 HB2 0.19 0.10 0.10 -0.04 1.64 1.99 3ht4E1 LEU 276 HB3 0.38 0.03 -0.06 -0.04 1.64 1.95 3ht4E1 LEU 276 HG 0.08 -0.10 -0.07 -0.04 1.64 1.52 3ht4E1 LEU 276 HD13 0.14 0.05 -0.09 -0.04 0.93 0.99 3ht4E1 LEU 276 HD23 0.13 0.01 -0.13 -0.04 0.89 0.86 3ht4E1 GLN 277 H 0.04 0.07 0.01 -0.55 8.47 8.05 3ht4E1 GLN 277 HA -0.49 0.08 0.27 -0.75 4.36 3.47 3ht4E1 GLN 277 HB2 -0.60 -0.01 0.08 -0.04 2.15 1.58 3ht4E1 GLN 277 HB3 -0.14 -0.01 0.10 -0.04 2.02 1.93 3ht4E1 GLN 277 HG2 -0.19 0.03 -0.27 -0.04 2.40 1.92 3ht4E1 GLN 277 HG3 -0.51 -0.02 -0.11 -0.04 2.39 1.70 3ht4E1 GLN 277 HE21 -0.09 -0.00 -0.02 -0.04 6.97 6.81 3ht4E1 GLN 277 HE22 -0.23 0.00 -0.05 -0.04 7.69 7.38 3ht4E1 GLU 278 H -0.01 0.05 -0.34 -0.55 8.60 7.75 3ht4E1 GLU 278 HA -0.01 0.07 0.19 -0.75 4.29 3.79 3ht4E1 GLU 278 HB2 0.02 0.04 -0.09 -0.04 2.09 2.02 3ht4E1 GLU 278 HB3 -0.00 0.01 -0.02 -0.04 1.99 1.94 3ht4E1 GLU 278 HG2 0.02 -0.10 -0.19 -0.04 2.34 2.03 3ht4E1 GLU 278 HG3 0.03 0.08 -0.03 -0.04 2.34 2.38 3ht4E1 TYR 280 HA 0.23 -0.04 0.32 -0.75 4.56 4.31 3ht4E1 TYR 280 HB2 0.16 0.04 0.11 -0.04 3.06 3.33 3ht4E1 TYR 280 HB3 0.33 -0.03 -0.07 -0.04 2.98 3.16 3ht4E1 TYR 280 HD2 0.05 0.03 -0.06 -0.04 7.15 7.12 3ht4E1 TYR 280 HE2 -0.04 0.03 -0.08 -0.04 6.85 6.73 3ht4E1 GLN 281 H 0.17 0.59 -0.18 -0.55 8.47 8.50 3ht4E1 GLN 281 HA 0.23 -0.03 0.38 -0.75 4.36 4.18 3ht4E1 GLN 281 HB2 -0.00 0.09 0.09 -0.04 2.15 2.28 3ht4E1 GLN 281 HB3 0.05 0.05 -0.02 -0.04 2.02 2.06 3ht4E1 GLN 281 HG2 0.08 -0.01 -0.02 -0.04 2.40 2.42 3ht4E1 GLN 281 HG3 0.04 -0.04 0.02 -0.04 2.39 2.38 3ht4E1 GLN 281 HE21 -0.01 -0.03 -0.03 -0.04 6.97 6.86 3ht4E1 GLN 281 HE22 0.01 0.00 -0.03 -0.04 7.69 7.64 3ht4E1 GLY 282 H 0.17 0.48 0.16 -0.55 8.43 8.70 3ht4E1 GLY 282 HA2 0.13 -0.02 0.32 -0.51 4.01 3.93 3ht4E1 GLY 282 HA3 0.17 0.12 0.29 -0.51 4.01 4.07 3ht4E1 PHE 283 H 0.40 0.17 -0.11 -0.55 8.34 8.25 3ht4E1 PHE 283 HA 0.13 0.16 0.40 -0.75 4.62 4.55 3ht4E1 PHE 283 HB2 0.17 -0.01 0.11 -0.04 3.15 3.38 3ht4E1 PHE 283 HB3 0.28 0.06 0.06 -0.04 3.06 3.42 3ht4E1 PHE 283 HD2 -0.04 0.08 -0.04 -0.04 7.28 7.24 3ht4E1 PHE 283 HE2 -0.67 -0.04 -0.10 -0.04 7.38 6.54 3ht4E1 PHE 283 HZ -1.29 0.02 -0.05 -0.04 7.32 5.96 3ht4E1 PHE 284 H 0.46 0.53 -0.19 -0.55 8.34 8.60 3ht4E1 PHE 284 HA -0.17 0.03 0.40 -0.75 4.62 4.13 3ht4E1 PHE 284 HB2 -0.10 0.00 0.03 -0.04 3.15 3.03 3ht4E1 PHE 284 HB3 0.00 0.06 0.07 -0.04 3.06 3.15 3ht4E1 PHE 284 HD2 -0.59 0.03 -0.13 -0.04 7.28 6.54 3ht4E1 PHE 284 HE2 -0.28 -0.03 -0.02 -0.04 7.38 7.02 3ht4E1 PHE 284 HZ -0.19 -0.03 -0.00 -0.04 7.32 7.05 3ht4E1 LEU 285 H 0.11 0.57 -0.17 -0.55 8.37 8.33 3ht4E1 LEU 285 HA -0.17 0.04 0.78 -0.75 4.35 4.25 3ht4E1 LEU 285 HB2 0.05 0.12 0.08 -0.04 1.64 1.84 3ht4E1 LEU 285 HB3 0.02 -0.12 0.16 -0.04 1.64 1.66 3ht4E1 LEU 285 HG 0.15 0.50 0.14 -0.04 1.64 2.39 3ht4E1 LEU 285 HD13 0.05 -0.03 -0.03 -0.04 0.93 0.87 3ht4E1 LEU 285 HD23 0.11 -0.04 -0.03 -0.04 0.89 0.89 3ht4E1 ALA 286 H -0.12 0.33 -0.48 -0.55 8.40 7.58 3ht4E1 ALA 286 HA 0.03 -0.07 0.14 -0.75 4.34 3.69 3ht4E1 ALA 286 HB3 0.07 0.09 0.03 -0.04 1.41 1.56 3ht4E1 PRO 287 HA -0.20 0.12 0.37 -0.51 4.44 4.21 3ht4E1 PRO 287 HB2 -0.35 0.01 0.03 -0.04 2.28 1.93 3ht4E1 PRO 287 HB3 -0.44 0.04 0.07 -0.04 2.02 1.65 3ht4E1 PRO 287 HG2 -0.79 0.06 -0.14 -0.04 2.03 1.12 3ht4E1 PRO 287 HG3 -2.10 0.00 -0.03 -0.04 2.03 -0.14 3ht4E1 PRO 287 HD2 -0.52 0.17 -0.34 -0.04 3.68 2.94 3ht4E1 PRO 287 HD3 -0.82 0.29 0.10 -0.04 3.65 3.17 3ht4E1 HIS 288 H -0.11 0.26 -0.24 -0.55 8.41 7.76 3ht4E1 HIS 288 HA -0.10 -0.00 0.42 -0.75 4.63 4.20 3ht4E1 HIS 288 HB2 -0.17 -0.01 0.13 -0.04 3.26 3.18 3ht4E1 HIS 288 HB3 -0.12 0.20 0.21 -0.04 3.20 3.46 3ht4E1 HIS 288 HD2 -0.08 -0.00 0.02 -0.04 6.97 6.87 3ht4E1 HIS 288 HE1 -0.02 -0.04 0.01 -0.04 7.75 7.65 3ht4E1 VAL 289 H 0.04 0.63 0.03 -0.55 8.24 8.39 3ht4E1 VAL 289 HA -0.04 -0.01 0.40 -0.75 4.13 3.73 3ht4E1 VAL 289 HB 0.05 0.04 0.02 -0.04 2.12 2.18 3ht4E1 VAL 289 HG13 0.06 0.00 -0.17 -0.04 0.97 0.82 3ht4E1 VAL 289 HG23 0.08 0.08 0.09 -0.04 0.95 1.17 3ht4E1 ALA 290 H 0.01 0.79 -0.21 -0.55 8.40 8.44 3ht4E1 ALA 290 HA 0.08 -0.05 0.50 -0.75 4.34 4.11 3ht4E1 ALA 290 HB3 0.11 0.03 -0.00 -0.04 1.41 1.50 3ht4E1 GLY 291 H -0.06 0.47 -0.23 -0.55 8.43 8.07 3ht4E1 GLY 291 HA2 0.01 0.06 0.47 -0.51 4.01 4.04 3ht4E1 GLY 291 HA3 -0.06 0.07 0.35 -0.51 4.01 3.87 3ht4E1 GLN 292 H -0.12 0.51 -0.06 -0.55 8.47 8.25 3ht4E1 GLN 292 HA -0.03 -0.06 0.49 -0.75 4.36 4.01 3ht4E1 GLN 292 HB2 -0.03 0.33 0.03 -0.04 2.15 2.44 3ht4E1 GLN 292 HB3 0.02 -0.38 -0.10 -0.04 2.02 1.52 3ht4E1 GLN 292 HG2 -0.47 0.36 0.07 -0.04 2.40 2.31 3ht4E1 GLN 292 HG3 -0.19 0.07 0.00 -0.04 2.39 2.23 3ht4E1 GLN 292 HE21 -0.18 -0.04 0.01 -0.04 6.97 6.71 3ht4E1 GLN 292 HE22 -0.88 0.11 0.00 -0.04 7.69 6.89 3ht4E1 ALA 293 H 0.04 0.48 -0.19 -0.55 8.40 8.17 3ht4E1 ALA 293 HA 0.08 0.10 0.36 -0.75 4.34 4.13 3ht4E1 ALA 293 HB3 0.09 0.04 -0.03 -0.04 1.41 1.47 3ht4E1 LEU 294 H 0.06 0.17 -0.78 -0.55 8.37 7.27 3ht4E1 LEU 294 HA 0.09 0.11 0.58 -0.75 4.35 4.37 3ht4E1 LEU 294 HB2 0.06 0.14 0.09 -0.04 1.64 1.90 3ht4E1 LEU 294 HB3 0.06 0.08 0.18 -0.04 1.64 1.92 3ht4E1 LEU 294 HG 0.09 -0.07 -0.03 -0.04 1.64 1.60 3ht4E1 LEU 294 HD13 0.06 -0.01 -0.07 -0.04 0.93 0.86 3ht4E1 LEU 294 HD23 0.06 -0.00 0.00 -0.04 0.89 0.91 3ht4E1 LYS 295 H 0.09 0.74 0.19 -0.55 8.42 8.88 3ht4E1 LYS 295 HA 0.30 0.04 0.51 -0.75 4.32 4.42 3ht4E1 LYS 295 HB2 0.06 0.00 0.18 -0.04 1.87 2.07 3ht4E1 LYS 295 HB3 -0.31 -0.07 0.04 -0.04 1.79 1.40 3ht4E1 LYS 295 HG2 0.00 -0.03 0.07 -0.04 1.46 1.46 3ht4E1 LYS 295 HG3 -0.00 0.17 0.09 -0.04 1.46 1.67 3ht4E1 LYS 295 HD2 -0.47 -0.07 -0.02 -0.04 1.69 1.09 3ht4E1 LYS 295 HD3 -0.15 0.02 -0.08 -0.04 1.68 1.43 3ht4E1 LYS 295 HE2 -0.17 0.03 -0.15 -0.04 2.99 2.66 3ht4E1 LYS 295 HE3 -0.11 0.03 0.03 -0.04 2.99 2.91 3ht4E1 GLY 296 H 0.19 0.56 -0.20 -0.55 8.43 8.44 3ht4E1 GLY 296 HA2 -0.00 -0.06 0.45 -0.51 4.01 3.89 3ht4E1 GLY 296 HA3 0.06 0.13 0.28 -0.51 4.01 3.98 3ht4E1 ALA 297 H 0.14 0.37 -0.29 -0.55 8.40 8.08 3ht4E1 ALA 297 HA 0.11 0.02 0.41 -0.75 4.34 4.14 3ht4E1 ALA 297 HB3 0.09 0.08 0.15 -0.04 1.41 1.70 3ht4E1 ILE 298 H 0.21 0.55 -0.07 -0.55 8.25 8.40 3ht4E1 ILE 298 HA 0.23 0.03 0.45 -0.75 4.18 4.15 3ht4E1 ILE 298 HB 0.35 0.13 0.11 -0.04 1.89 2.44 3ht4E1 ILE 298 HG12 0.18 0.09 0.12 -0.04 1.49 1.84 3ht4E1 ILE 298 HG13 0.22 0.23 0.11 -0.04 1.21 1.74 3ht4E1 ILE 298 HG23 0.28 -0.04 -0.00 -0.04 0.93 1.12 3ht4E1 ILE 298 HD13 0.21 -0.03 -0.03 -0.04 0.88 0.99 3ht4E1 PHE 299 H 0.36 0.36 -0.61 -0.55 8.34 7.89 3ht4E1 PHE 299 HA 0.04 -0.05 0.48 -0.75 4.62 4.34 3ht4E1 PHE 299 HB2 0.17 -0.04 0.07 -0.04 3.15 3.30 3ht4E1 PHE 299 HB3 0.02 0.27 0.25 -0.04 3.06 3.56 3ht4E1 PHE 299 HD2 -0.02 0.01 -0.09 -0.04 7.28 7.13 3ht4E1 PHE 299 HE2 -0.16 0.01 -0.04 -0.04 7.38 7.15 3ht4E1 PHE 299 HZ -0.45 0.00 -0.07 -0.04 7.32 6.76 3ht4E1 THR 300 H 0.21 0.68 0.15 -0.55 8.28 8.77 3ht4E1 THR 300 HA -0.09 -0.05 0.36 -0.75 4.39 3.86 3ht4E1 THR 300 HB 0.04 0.10 0.11 -0.04 4.32 4.53 3ht4E1 THR 300 HG23 0.07 -0.00 -0.03 -0.04 1.22 1.22 3ht4E1 ALA 301 H 0.04 0.88 -0.23 -0.55 8.40 8.54 3ht4E1 ALA 301 HA -0.05 0.00 0.25 -0.75 4.34 3.78 3ht4E1 ALA 301 HB3 0.10 0.00 -0.03 -0.04 1.41 1.43 3ht4E1 ALA 302 H -0.00 0.65 -0.01 -0.55 8.40 8.50 3ht4E1 ALA 302 HA -0.21 -0.08 0.48 -0.75 4.34 3.77 3ht4E1 ALA 302 HB3 -0.48 -0.01 0.19 -0.04 1.41 1.07 3ht4E1 PHE 303 H -0.21 0.99 -0.06 -0.55 8.34 8.50 3ht4E1 PHE 303 HA -0.26 -0.04 0.18 -0.75 4.62 3.74 3ht4E1 PHE 303 HB2 -0.93 -0.09 0.01 -0.04 3.15 2.09 3ht4E1 PHE 303 HB3 -0.80 0.15 -0.04 -0.04 3.06 2.33 3ht4E1 PHE 303 HD2 -0.28 -0.00 -0.08 -0.04 7.28 6.87 3ht4E1 PHE 303 HE2 0.02 0.02 -0.07 -0.04 7.38 7.31 3ht4E1 PHE 303 HZ 0.03 -0.05 -0.01 -0.04 7.32 7.25 3ht4E1 LEU 304 H -0.19 0.57 -0.20 -0.55 8.37 8.01 3ht4E1 LEU 304 HA -0.34 0.06 0.68 -0.75 4.35 3.99 3ht4E1 LEU 304 HB2 -0.21 0.24 0.15 -0.04 1.64 1.78 3ht4E1 LEU 304 HB3 -0.27 -0.04 -0.08 -0.04 1.64 1.21 3ht4E1 LEU 304 HG -0.29 -0.02 -0.05 -0.04 1.64 1.24 3ht4E1 LEU 304 HD13 -0.32 -0.01 -0.07 -0.04 0.93 0.49 3ht4E1 LEU 304 HD23 -0.26 0.02 -0.09 -0.04 0.89 0.53 3ht4E1 GLU 305 H -0.11 0.63 -0.03 -0.55 8.60 8.55 3ht4E1 GLU 305 HA -0.08 0.03 0.58 -0.75 4.29 4.07 3ht4E1 GLU 305 HB2 0.01 0.06 0.22 -0.04 2.09 2.34 3ht4E1 GLU 305 HB3 -0.02 0.09 0.27 -0.04 1.99 2.29 3ht4E1 GLU 305 HG2 0.01 0.00 -0.04 -0.04 2.34 2.28 3ht4E1 GLU 305 HG3 0.02 -0.04 0.12 -0.04 2.34 2.40 3ht4E1 LYS 306 H -0.08 0.66 0.00 -0.55 8.42 8.44 3ht4E1 LYS 306 HA -0.03 -0.01 0.38 -0.75 4.32 3.91 3ht4E1 LYS 306 HB2 -0.03 0.13 0.09 -0.04 1.87 2.02 3ht4E1 LYS 306 HB3 0.04 0.05 -0.08 -0.04 1.79 1.75 3ht4E1 LYS 306 HG2 0.00 -0.02 0.04 -0.04 1.46 1.43 3ht4E1 LYS 306 HG3 -0.03 -0.04 0.04 -0.04 1.46 1.38 3ht4E1 LYS 306 HD2 -0.07 -0.01 -0.08 -0.04 1.69 1.49 3ht4E1 LYS 306 HD3 0.04 -0.00 -0.07 -0.04 1.68 1.61 3ht4E1 LYS 306 HE2 -0.02 -0.02 -0.05 -0.04 2.99 2.86 3ht4E1 LYS 306 HE3 -0.01 -0.02 -0.02 -0.04 2.99 2.90 3ht4E1 LEU 307 H -0.15 0.16 -0.75 -0.55 8.37 7.09 3ht4E1 LEU 307 HA -0.08 0.04 0.64 -0.75 4.35 4.20 3ht4E1 LEU 307 HB2 -0.28 0.10 0.18 -0.04 1.64 1.60 3ht4E1 LEU 307 HB3 -0.16 -0.04 0.04 -0.04 1.64 1.45 3ht4E1 LEU 307 HG -0.23 -0.06 -0.05 -0.04 1.64 1.26 3ht4E1 LEU 307 HD13 -0.93 0.05 0.00 -0.04 0.93 0.02 3ht4E1 LEU 307 HD23 -0.09 -0.03 0.04 -0.04 0.89 0.77 3ht4E1 GLY 308 H -0.10 0.37 -0.13 -0.55 8.43 8.02 3ht4E1 GLY 308 HA2 -0.05 0.03 0.12 -0.51 4.01 3.60 3ht4E1 GLY 308 HA3 -0.04 0.12 0.53 -0.51 4.01 4.11 3ht4E1 ASN 310 HA -0.08 -0.11 0.28 -0.75 4.76 4.10 3ht4E1 ASN 310 HB2 -0.10 -0.03 0.14 -0.04 2.88 2.85 3ht4E1 ASN 310 HB3 -0.08 -0.01 -0.06 -0.04 2.79 2.60 3ht4E1 ASN 310 HD21 -0.04 -0.02 -0.00 -0.04 7.03 6.93 3ht4E1 ASN 310 HD22 -0.04 -0.01 0.02 -0.04 7.74 7.67 3ht4E1 THR 311 H -0.07 0.09 0.12 -0.55 8.28 7.88 3ht4E1 THR 311 HA -0.17 0.21 1.10 -0.75 4.39 4.78 3ht4E1 THR 311 HB -0.11 0.07 0.05 -0.04 4.32 4.30 3ht4E1 THR 311 HG23 -0.15 0.04 -0.03 -0.04 1.22 1.04 3ht4E1 SER 312 H -0.12 0.90 0.22 -0.55 8.46 8.91 3ht4E1 SER 312 HA -0.05 -0.08 0.79 -0.75 4.49 4.40 3ht4E1 SER 312 HB2 -0.08 -0.02 -0.25 -0.04 3.95 3.57 3ht4E1 SER 312 HB3 -0.10 0.00 0.03 -0.04 3.93 3.83 3ht4E1 PRO 313 HA -0.05 -0.04 0.40 -0.51 4.44 4.25 3ht4E1 PRO 313 HB2 -0.02 0.23 -0.02 -0.04 2.28 2.43 3ht4E1 PRO 313 HB3 -0.04 -0.05 0.11 -0.04 2.02 1.99 3ht4E1 PRO 313 HG2 -0.03 0.06 0.14 -0.04 2.03 2.15 3ht4E1 PRO 313 HG3 -0.05 -0.08 0.07 -0.04 2.03 1.92 3ht4E1 PRO 313 HD2 -0.02 0.13 0.33 -0.04 3.68 4.08 3ht4E1 PRO 313 HD3 -0.05 0.10 0.45 -0.04 3.65 4.12 3ht4E1 ALA 314 H -0.04 0.01 0.16 -0.55 8.40 7.99 3ht4E1 ALA 314 HA 0.05 0.16 0.55 -0.75 4.34 4.34 3ht4E1 ALA 314 HB3 -0.12 -0.03 0.10 -0.04 1.41 1.33 3ht4E1 TRP 315 H 0.29 0.10 0.14 -0.55 7.97 7.95 3ht4E1 TRP 315 HA -0.00 0.21 0.49 -0.75 4.62 4.56 3ht4E1 TRP 315 HB2 -0.00 0.03 0.18 -0.04 3.23 3.39 3ht4E1 TRP 315 HB3 -0.01 0.04 0.19 -0.04 3.23 3.41 3ht4E1 TRP 315 HD1 -0.03 0.03 0.12 -0.04 7.22 7.30 3ht4E1 TRP 315 HE1 -0.02 0.02 0.06 -0.04 10.20 10.22 3ht4E1 TRP 315 HE3 -0.05 -0.00 -0.11 -0.04 7.59 7.39 3ht4E1 TRP 315 HZ2 -0.01 -0.01 0.04 -0.04 7.44 7.41 3ht4E1 TRP 315 HZ3 -0.05 -0.10 0.12 -0.04 7.13 7.06 3ht4E1 TRP 315 HH2 -0.02 0.04 0.10 -0.04 7.19 7.27 3ht4E1 ASN 316 H -1.26 0.02 -0.03 -0.55 8.53 6.72 3ht4E1 ASN 316 HA -0.45 0.15 0.45 -0.75 4.76 4.16 3ht4E1 ASN 316 HB2 -0.72 -0.01 0.16 -0.04 2.88 2.28 3ht4E1 ASN 316 HB3 -2.39 -0.00 0.08 -0.04 2.79 0.44 3ht4E1 ASN 316 HD21 -0.39 0.00 0.00 -0.04 7.03 6.61 3ht4E1 ASN 316 HD22 -0.62 0.01 0.03 -0.04 7.74 7.12 3ht4E1 ALA 317 H -0.20 0.20 -0.89 -0.55 8.40 6.96 3ht4E1 ALA 317 HA -0.15 0.07 0.59 -0.75 4.34 4.10 3ht4E1 ALA 317 HB3 -0.09 0.03 0.00 -0.04 1.41 1.31 3ht4E1 PRO 318 HA -0.03 0.03 0.54 -0.51 4.44 4.47 3ht4E1 PRO 318 HB2 -0.02 -0.00 0.04 -0.04 2.28 2.26 3ht4E1 PRO 318 HB3 -0.02 -0.01 0.08 -0.04 2.02 2.03 3ht4E1 PRO 318 HG2 -0.03 -0.00 0.09 -0.04 2.03 2.05 3ht4E1 PRO 318 HG3 -0.04 0.04 0.10 -0.04 2.03 2.08 3ht4E1 PRO 318 HD2 -0.06 0.07 0.22 -0.04 3.68 3.86 3ht4E1 PRO 318 HD3 -0.09 0.16 0.21 -0.04 3.65 3.89 3ht4E1 ARG 319 H -0.01 0.14 0.21 -0.55 8.46 8.24 3ht4E1 ARG 319 HA -0.01 0.16 0.91 -0.75 4.34 4.65 3ht4E1 ARG 319 HB2 0.02 -0.03 0.11 -0.04 1.90 1.96 3ht4E1 ARG 319 HB3 0.02 0.03 -0.01 -0.04 1.80 1.81 3ht4E1 ARG 319 HG2 0.01 0.19 -0.10 -0.04 1.67 1.72 3ht4E1 ARG 319 HG3 0.04 -0.03 0.01 -0.04 1.67 1.66 3ht4E1 ARG 319 HD2 0.02 0.03 0.05 -0.04 3.22 3.28 3ht4E1 ARG 319 HD3 -0.00 -0.00 -0.05 -0.04 3.22 3.12 3ht4E1 THR 320 H -0.01 0.05 0.18 -0.55 8.28 7.95 3ht4E1 THR 320 HA 0.01 0.16 0.86 -0.75 4.39 4.67 3ht4E1 THR 320 HB 0.01 -0.10 -0.24 -0.04 4.32 3.94 3ht4E1 THR 320 HG23 -0.02 0.02 -0.34 -0.04 1.22 0.84 3ht4E1 ASP 321 H -0.01 0.06 0.22 -0.55 8.40 8.12 3ht4E1 ASP 321 HA 0.04 0.31 0.69 -0.75 4.63 4.92 3ht4E1 ASP 321 HB2 0.03 -0.02 -0.01 -0.04 2.71 2.66 3ht4E1 ASP 321 HB3 0.01 0.08 -0.34 -0.04 2.70 2.40 3ht4E1 LEU 322 H 0.02 0.22 0.18 -0.55 8.37 8.24 3ht4E1 LEU 322 HA 0.02 0.21 0.40 -0.75 4.35 4.23 3ht4E1 LEU 322 HB2 0.25 -0.10 0.12 -0.04 1.64 1.86 3ht4E1 LEU 322 HB3 0.11 0.00 0.14 -0.04 1.64 1.85 3ht4E1 LEU 322 HG 0.13 0.06 -0.02 -0.04 1.64 1.77 3ht4E1 LEU 322 HD13 0.17 -0.03 0.00 -0.04 0.93 1.03 3ht4E1 LEU 322 HD23 0.08 0.09 -0.17 -0.04 0.89 0.85 3ht4E1 ILE 323 H -0.16 -0.02 -0.48 -0.55 8.25 7.04 3ht4E1 ILE 323 HA -0.23 0.06 0.55 -0.75 4.18 3.81 3ht4E1 ILE 323 HB -0.14 -0.05 0.09 -0.04 1.89 1.74 3ht4E1 ILE 323 HG12 -0.45 -0.11 -0.02 -0.04 1.49 0.88 3ht4E1 ILE 323 HG13 -0.27 -0.14 0.03 -0.04 1.21 0.79 3ht4E1 ILE 323 HG23 -0.03 0.04 -0.17 -0.04 0.93 0.73 3ht4E1 ILE 323 HD13 -0.60 0.04 -0.07 -0.04 0.88 0.20 3ht4E1 GLN 324 H -0.00 0.13 0.04 -0.55 8.47 8.09 3ht4E1 GLN 324 HA -0.03 0.22 0.76 -0.75 4.36 4.55 3ht4E1 GLN 324 HB2 0.02 -0.00 -0.16 -0.04 2.15 1.96 3ht4E1 GLN 324 HB3 0.03 0.14 0.13 -0.04 2.02 2.28 3ht4E1 GLN 324 HG2 0.03 -0.08 0.04 -0.04 2.40 2.35 3ht4E1 GLN 324 HG3 -0.02 -0.04 -0.23 -0.04 2.39 2.05 3ht4E1 GLN 324 HE21 -0.02 0.19 -0.29 -0.04 6.97 6.80 3ht4E1 GLN 324 HE22 -0.07 -0.02 -0.28 -0.04 7.69 7.28 3ht4E1 SER 325 H -0.09 0.79 0.29 -0.55 8.46 8.90 3ht4E1 SER 325 HA -0.26 0.26 1.11 -0.75 4.49 4.85 3ht4E1 SER 325 HB2 -0.45 -0.02 -0.07 -0.04 3.95 3.36 3ht4E1 SER 325 HB3 -0.56 -0.07 -0.07 -0.04 3.93 3.19 3ht4E1 VAL 326 H -0.32 0.65 0.38 -0.55 8.24 8.40 3ht4E1 VAL 326 HA -0.30 0.18 0.92 -0.75 4.13 4.18 3ht4E1 VAL 326 HB -0.58 0.06 -0.05 -0.04 2.12 1.51 3ht4E1 VAL 326 HG13 -0.23 -0.02 -0.27 -0.04 0.97 0.41 3ht4E1 VAL 326 HG23 -0.72 -0.00 -0.03 -0.04 0.95 0.16 3ht4E1 GLN 327 H -0.33 0.76 0.23 -0.55 8.47 8.58 3ht4E1 GLN 327 HA -0.23 0.00 0.63 -0.75 4.36 4.01 3ht4E1 GLN 327 HB2 -0.16 -0.07 0.02 -0.04 2.15 1.90 3ht4E1 GLN 327 HB3 -0.16 0.16 0.21 -0.04 2.02 2.20 3ht4E1 GLN 327 HG2 -0.05 -0.03 -0.28 -0.04 2.40 2.00 3ht4E1 GLN 327 HG3 -0.07 -0.05 -0.08 -0.04 2.39 2.14 3ht4E1 GLN 327 HE21 -0.06 -0.06 0.00 -0.04 6.97 6.81 3ht4E1 GLN 327 HE22 -0.09 0.04 -0.01 -0.04 7.69 7.59 3ht4E1 PHE 328 H 0.03 0.41 0.25 -0.55 8.34 8.48 3ht4E1 PHE 328 HA -0.08 0.22 0.51 -0.75 4.62 4.52 3ht4E1 PHE 328 HB2 -0.01 0.18 0.11 -0.04 3.15 3.38 3ht4E1 PHE 328 HB3 -0.05 -0.12 0.03 -0.04 3.06 2.88 3ht4E1 PHE 328 HD2 -0.11 0.05 -0.05 -0.04 7.28 7.13 3ht4E1 PHE 328 HE2 -0.35 -0.02 -0.11 -0.04 7.38 6.86 3ht4E1 PHE 328 HZ -1.70 -0.03 -0.11 -0.04 7.32 5.43 3ht4E1 ASP 329 H 0.17 0.39 0.12 -0.55 8.40 8.53 3ht4E1 ASP 329 HA 0.19 0.00 0.31 -0.75 4.63 4.38 3ht4E1 ASP 329 HB2 0.06 0.25 -0.49 -0.04 2.71 2.49 3ht4E1 ASP 329 HB3 0.07 -0.08 0.13 -0.04 2.70 2.77 3ht4E1 ASP 330 H 0.15 0.12 -0.85 -0.55 8.40 7.27 3ht4E1 ASP 330 HA -0.13 0.07 0.74 -0.75 4.63 4.55 3ht4E1 ASP 330 HB2 -0.00 0.16 -0.16 -0.04 2.71 2.67 3ht4E1 ASP 330 HB3 -0.03 0.06 0.09 -0.04 2.70 2.78 3ht4E1 LYS 331 H -1.15 0.17 -0.01 -0.55 8.42 6.88 3ht4E1 LYS 331 HA -0.53 0.10 0.13 -0.75 4.32 3.26 3ht4E1 LYS 331 HB2 -0.82 0.01 0.00 -0.04 1.87 1.01 3ht4E1 LYS 331 HB3 -0.79 -0.04 0.08 -0.04 1.79 1.00 3ht4E1 LYS 331 HG2 -0.18 0.06 -0.46 -0.04 1.46 0.84 3ht4E1 LYS 331 HG3 -0.11 0.03 -0.10 -0.04 1.46 1.23 3ht4E1 LYS 331 HD2 -0.06 -0.00 -0.04 -0.04 1.69 1.55 3ht4E1 LYS 331 HD3 -0.11 -0.02 -0.05 -0.04 1.68 1.46 3ht4E1 LYS 331 HE2 -0.03 0.02 -0.06 -0.04 2.99 2.87 3ht4E1 LYS 331 HE3 0.01 0.01 -0.03 -0.04 2.99 2.94 3ht4E1 ASP 332 H -0.22 -0.02 -0.37 -0.55 8.40 7.25 3ht4E1 ASP 332 HA -0.10 0.06 0.45 -0.75 4.63 4.28 3ht4E1 ASP 332 HB2 -0.10 -0.03 0.03 -0.04 2.71 2.57 3ht4E1 ASP 332 HB3 -0.08 0.05 -0.05 -0.04 2.70 2.58 3ht4E1 ARG 333 H -0.15 0.33 -0.08 -0.55 8.46 8.01 3ht4E1 ARG 333 HA -0.16 0.07 0.36 -0.75 4.34 3.87 3ht4E1 ARG 333 HB2 -0.12 0.02 0.09 -0.04 1.90 1.85 3ht4E1 ARG 333 HB3 -0.09 -0.07 0.10 -0.04 1.80 1.70 3ht4E1 ARG 333 HG2 -0.05 0.04 0.08 -0.04 1.67 1.71 3ht4E1 ARG 333 HG3 -0.49 -0.05 0.06 -0.04 1.67 1.15 3ht4E1 ARG 333 HD2 0.11 0.30 0.12 -0.04 3.22 3.72 3ht4E1 ARG 333 HD3 0.33 -0.01 0.05 -0.04 3.22 3.55 3ht4E1 ILE 335 HA -0.02 -0.07 0.23 -0.75 4.18 3.57 3ht4E1 ILE 335 HB -0.06 0.09 0.13 -0.04 1.89 2.01 3ht4E1 ILE 335 HG12 0.02 -0.06 -0.01 -0.04 1.49 1.40 3ht4E1 ILE 335 HG13 -0.01 0.04 0.06 -0.04 1.21 1.26 3ht4E1 ILE 335 HG23 -0.04 -0.01 -0.15 -0.04 0.93 0.70 3ht4E1 ILE 335 HD13 0.00 -0.03 -0.03 -0.04 0.88 0.78 3ht4E1 ALA 336 H -0.12 0.51 -0.64 -0.55 8.40 7.60 3ht4E1 ALA 336 HA -0.10 -0.03 0.36 -0.75 4.34 3.81 3ht4E1 ALA 336 HB3 -0.10 0.04 0.09 -0.04 1.41 1.39 3ht4E1 PHE 337 H -0.13 0.60 0.19 -0.55 8.34 8.45 3ht4E1 PHE 337 HA -0.12 0.04 0.30 -0.75 4.62 4.08 3ht4E1 PHE 337 HB2 -0.56 0.12 0.07 -0.04 3.15 2.74 3ht4E1 PHE 337 HB3 -0.41 -0.02 -0.03 -0.04 3.06 2.57 3ht4E1 PHE 337 HD2 0.04 0.03 -0.24 -0.04 7.28 7.07 3ht4E1 PHE 337 HE2 0.09 0.00 -0.11 -0.04 7.38 7.32 3ht4E1 PHE 337 HZ 0.08 -0.02 -0.08 -0.04 7.32 7.25 3ht4E1 CYS 338 H 0.07 0.17 -0.37 -0.55 8.50 7.82 3ht4E1 CYS 338 HA 0.03 -0.02 0.35 -0.75 4.58 4.19 3ht4E1 CYS 338 HB2 0.03 0.11 0.04 -0.04 2.97 3.11 3ht4E1 CYS 338 HB3 0.05 0.09 -0.09 -0.04 2.97 2.98 3ht4E1 GLN 339 H -0.09 0.58 -0.03 -0.55 8.47 8.39 3ht4E1 GLN 339 HA -0.11 0.01 0.54 -0.75 4.36 4.04 3ht4E1 GLN 339 HB2 -0.14 0.13 0.22 -0.04 2.15 2.32 3ht4E1 GLN 339 HB3 -0.16 -0.08 -0.01 -0.04 2.02 1.73 3ht4E1 GLN 339 HG2 -0.37 -0.17 -0.02 -0.04 2.40 1.80 3ht4E1 GLN 339 HG3 -0.27 0.28 0.15 -0.04 2.39 2.50 3ht4E1 GLN 339 HE21 -0.21 -0.18 -0.07 -0.04 6.97 6.48 3ht4E1 GLN 339 HE22 -0.43 0.55 0.10 -0.04 7.69 7.87 3ht4E1 ALA 340 H -0.13 0.79 -0.01 -0.55 8.40 8.50 3ht4E1 ALA 340 HA -0.05 -0.02 0.32 -0.75 4.34 3.83 3ht4E1 ALA 340 HB3 -0.18 0.02 0.08 -0.04 1.41 1.30 3ht4E1 ILE 341 H -0.27 0.65 -0.19 -0.55 8.25 7.89 3ht4E1 ILE 341 HA -0.16 -0.04 0.12 -0.75 4.18 3.34 3ht4E1 ILE 341 HB -0.19 0.17 0.11 -0.04 1.89 1.94 3ht4E1 ILE 341 HG12 -0.97 0.07 -0.04 -0.04 1.49 0.51 3ht4E1 ILE 341 HG13 -0.35 -0.02 -0.14 -0.04 1.21 0.66 3ht4E1 ILE 341 HG23 -0.02 -0.03 -0.35 -0.04 0.93 0.49 3ht4E1 ILE 341 HD13 -0.16 -0.03 -0.20 -0.04 0.88 0.45 3ht4E1 GLN 342 H -0.04 0.58 -0.19 -0.55 8.47 8.27 3ht4E1 GLN 342 HA 0.03 -0.10 0.58 -0.75 4.36 4.12 3ht4E1 GLN 342 HB2 0.04 -0.12 0.22 -0.04 2.15 2.24 3ht4E1 GLN 342 HB3 0.00 0.24 0.28 -0.04 2.02 2.50 3ht4E1 GLN 342 HG2 0.07 0.13 0.19 -0.04 2.40 2.75 3ht4E1 GLN 342 HG3 0.08 -0.03 -0.10 -0.04 2.39 2.30 3ht4E1 GLN 342 HE21 0.06 -0.23 0.08 -0.04 6.97 6.84 3ht4E1 GLN 342 HE22 0.08 0.17 -0.15 -0.04 7.69 7.75 3ht4E1 TYR 343 H 0.09 0.56 -0.22 -0.55 8.29 8.17 3ht4E1 TYR 343 HA 0.00 0.08 0.84 -0.75 4.56 4.72 3ht4E1 TYR 343 HB2 -0.04 0.00 0.07 -0.04 3.06 3.05 3ht4E1 TYR 343 HB3 -0.05 0.07 0.10 -0.04 2.98 3.06 3ht4E1 TYR 343 HD2 -0.01 0.16 0.04 -0.04 7.15 7.30 3ht4E1 TYR 343 HE2 0.01 -0.06 -0.00 -0.04 6.85 6.75 3ht4E1 ALA 344 H 0.01 0.34 -0.49 -0.55 8.40 7.72 3ht4E1 ALA 344 HA -0.03 0.11 0.64 -0.75 4.34 4.30 3ht4E1 ALA 344 HB3 -0.03 -0.03 0.09 -0.04 1.41 1.40 3ht4E1 SER 345 H -0.01 0.24 -0.30 -0.55 8.46 7.84 3ht4E1 SER 345 HA 0.26 0.10 0.82 -0.75 4.49 4.91 3ht4E1 SER 345 HB2 0.01 0.14 0.06 -0.04 3.95 4.12 3ht4E1 SER 345 HB3 0.01 0.13 0.20 -0.04 3.93 4.23 3ht4E1 PRO 346 HA -0.11 0.10 0.42 -0.51 4.44 4.34 3ht4E1 PRO 346 HB2 -0.36 -0.02 -0.03 -0.04 2.28 1.84 3ht4E1 PRO 346 HB3 -0.11 -0.01 0.08 -0.04 2.02 1.94 3ht4E1 PRO 346 HG2 -0.67 -0.02 0.15 -0.04 2.03 1.45 3ht4E1 PRO 346 HG3 -0.24 -0.05 0.14 -0.04 2.03 1.84 3ht4E1 PRO 346 HD2 -0.08 0.39 0.33 -0.04 3.68 4.27 3ht4E1 PRO 346 HD3 -0.24 0.09 0.24 -0.04 3.65 3.69 3ht4E1 ILE 347 H -0.28 0.32 -0.08 -0.55 8.25 7.66 3ht4E1 ILE 347 HA -0.10 0.16 1.02 -0.75 4.18 4.50 3ht4E1 ILE 347 HB -0.13 -0.03 0.00 -0.04 1.89 1.70 3ht4E1 ILE 347 HG12 -0.27 -0.04 -0.53 -0.04 1.49 0.62 3ht4E1 ILE 347 HG13 -0.13 -0.05 -0.38 -0.04 1.21 0.61 3ht4E1 ILE 347 HG23 -0.56 0.01 -0.22 -0.04 0.93 0.12 3ht4E1 ILE 347 HD13 -0.07 -0.01 -0.08 -0.04 0.88 0.67 3ht4E1 ASN 348 H 0.06 0.12 0.14 -0.55 8.53 8.30 3ht4E1 ASN 348 HA 0.23 -0.07 0.34 -0.75 4.76 4.50 3ht4E1 ASN 348 HB2 -0.01 0.27 0.23 -0.04 2.88 3.33 3ht4E1 ASN 348 HB3 0.00 0.00 0.24 -0.04 2.79 2.99 3ht4E1 ASN 348 HD21 -0.08 -0.01 -0.04 -0.04 7.03 6.85 3ht4E1 ASN 348 HD22 -0.11 0.08 -0.03 -0.04 7.74 7.64 3ht4E1 SER 349 H 0.08 0.09 -0.20 -0.55 8.46 7.88 3ht4E1 SER 349 HA 0.05 0.51 0.53 -0.75 4.49 4.84 3ht4E1 SER 349 HB2 -0.21 0.02 0.17 -0.04 3.95 3.89 3ht4E1 SER 349 HB3 -0.08 0.20 -0.05 -0.04 3.93 3.96 3ht4E1 HIS 350 H 0.42 -0.12 -0.34 -0.55 8.41 7.82 3ht4E1 HIS 350 HA 0.13 0.22 0.62 -0.75 4.63 4.85 3ht4E1 HIS 350 HB2 0.07 0.01 0.07 -0.04 3.26 3.38 3ht4E1 HIS 350 HB3 0.06 -0.01 -0.01 -0.04 3.20 3.19 3ht4E1 HIS 350 HD2 0.07 -0.00 -0.07 -0.04 6.97 6.92 3ht4E1 HIS 350 HE1 0.04 -0.02 0.00 -0.04 7.75 7.73 3ht4E1 PHE 351 H -0.03 0.14 -0.36 -0.55 8.34 7.53 3ht4E1 PHE 351 HA -0.20 0.06 0.84 -0.75 4.62 4.57 3ht4E1 PHE 351 HB2 -0.32 -0.10 0.04 -0.04 3.15 2.73 3ht4E1 PHE 351 HB3 -0.15 0.13 0.15 -0.04 3.06 3.15 3ht4E1 PHE 351 HD2 -0.06 0.02 -0.11 -0.04 7.28 7.08 3ht4E1 PHE 351 HE2 0.01 -0.03 -0.09 -0.04 7.38 7.22 3ht4E1 PHE 351 HZ 0.04 -0.04 -0.06 -0.04 7.32 7.22 3ht4E1 THR 352 H -0.50 0.10 0.06 -0.55 8.28 7.39 3ht4E1 THR 352 HA -0.21 0.30 0.53 -0.75 4.39 4.24 3ht4E1 THR 352 HB -0.17 0.07 -0.08 -0.04 4.32 4.10 3ht4E1 THR 352 HG23 -0.11 -0.02 0.07 -0.04 1.22 1.12 3ht4E1 PRO 353 HA -0.11 -0.03 0.44 -0.51 4.44 4.23 3ht4E1 PRO 353 HB2 0.02 0.08 0.04 -0.04 2.28 2.38 3ht4E1 PRO 353 HB3 0.15 -0.03 0.10 -0.04 2.02 2.20 3ht4E1 PRO 353 HG2 -0.10 -0.00 0.07 -0.04 2.03 1.95 3ht4E1 PRO 353 HG3 0.00 0.06 0.14 -0.04 2.03 2.20 3ht4E1 PRO 353 HD2 -0.21 0.04 0.25 -0.04 3.68 3.73 3ht4E1 PRO 353 HD3 -0.07 0.36 0.37 -0.04 3.65 4.26 3ht4E1 TYR 354 H 0.12 0.07 0.16 -0.55 8.29 8.09 3ht4E1 TYR 354 HA -0.02 0.26 0.87 -0.75 4.56 4.92 3ht4E1 TYR 354 HB2 -0.02 -0.01 0.02 -0.04 3.06 3.01 3ht4E1 TYR 354 HB3 -0.02 -0.15 0.17 -0.04 2.98 2.94 3ht4E1 TYR 354 HD2 -0.09 -0.01 0.01 -0.04 7.15 7.01 3ht4E1 TYR 354 HE2 -0.13 -0.00 -0.04 -0.04 6.85 6.64 3ht4E1 ALA 355 H 0.19 0.14 0.10 -0.55 8.40 8.28 3ht4E1 ALA 355 HA 0.09 0.30 0.75 -0.75 4.34 4.73 3ht4E1 ALA 355 HB3 0.07 -0.01 0.02 -0.04 1.41 1.45 3ht4E1 ASN 356 H 0.09 0.36 0.22 -0.55 8.53 8.65 3ht4E1 ASN 356 HA 0.10 0.09 0.75 -0.75 4.76 4.95 3ht4E1 ASN 356 HB2 0.09 0.07 0.12 -0.04 2.88 3.11 3ht4E1 ASN 356 HB3 0.11 0.06 0.11 -0.04 2.79 3.03 3ht4E1 ASN 356 HD21 0.16 -0.02 -0.02 -0.04 7.03 7.11 3ht4E1 ASN 356 HD22 0.11 0.05 0.02 -0.04 7.74 7.88 3ht4E1 TYR 357 H 0.20 0.10 0.09 -0.55 8.29 8.13 3ht4E1 TYR 357 HA 0.05 0.18 0.55 -0.75 4.56 4.59 3ht4E1 TYR 357 HB2 0.03 0.01 0.08 -0.04 3.06 3.14 3ht4E1 TYR 357 HB3 0.04 -0.01 0.09 -0.04 2.98 3.05 3ht4E1 TYR 357 HD2 0.03 0.01 -0.12 -0.04 7.15 7.03 3ht4E1 TYR 357 HE2 0.02 -0.01 -0.02 -0.04 6.85 6.80 3ht4E1 PRO 359 HA -0.00 -0.12 0.28 -0.51 4.44 4.09 3ht4E1 PRO 359 HB2 0.01 -0.02 0.08 -0.04 2.28 2.31 3ht4E1 PRO 359 HB3 0.05 -0.02 0.02 -0.04 2.02 2.03 3ht4E1 PRO 359 HG2 0.07 -0.01 0.09 -0.04 2.03 2.14 3ht4E1 PRO 359 HG3 0.15 -0.01 -0.01 -0.04 2.03 2.13 3ht4E1 PRO 359 HD2 0.05 -0.01 0.16 -0.04 3.68 3.84 3ht4E1 PRO 359 HD3 0.05 0.17 2.87 -0.04 3.65 6.70 3ht4E1 GLY 360 H -0.12 0.12 0.14 -0.55 8.43 8.02 3ht4E1 GLY 360 HA2 -0.23 0.01 0.26 -0.51 4.01 3.54 3ht4E1 GLY 360 HA3 -0.50 0.12 0.46 -0.51 4.01 3.59 3ht4E1 TYR 361 H -0.18 0.14 0.05 -0.55 8.29 7.76 3ht4E1 TYR 361 HA -0.05 0.17 0.81 -0.75 4.56 4.73 3ht4E1 TYR 361 HB2 -0.15 0.11 -0.05 -0.04 3.06 2.93 3ht4E1 TYR 361 HB3 -0.09 -0.04 0.07 -0.04 2.98 2.87 3ht4E1 TYR 361 HD2 -0.11 -0.01 -0.12 -0.04 7.15 6.86 3ht4E1 TYR 361 HE2 -0.06 -0.03 -0.03 -0.04 6.85 6.70 3ht4E1 GLU 362 H 0.09 0.18 0.13 -0.55 8.60 8.46 3ht4E1 GLU 362 HA 0.06 0.12 0.48 -0.75 4.29 4.19 3ht4E1 GLU 362 HB2 0.04 -0.02 0.08 -0.04 2.09 2.15 3ht4E1 GLU 362 HB3 0.04 0.04 0.05 -0.04 1.99 2.07 3ht4E1 GLU 362 HG2 0.05 0.02 0.18 -0.04 2.34 2.54 3ht4E1 GLU 362 HG3 0.03 -0.02 0.05 -0.04 2.34 2.36 3ht4E1 ASP 363 H 0.04 0.09 -0.41 -0.55 8.40 7.58 3ht4E1 ASP 363 HA 0.04 0.19 0.91 -0.75 4.63 5.01 3ht4E1 ASP 363 HB2 -0.01 0.01 -0.14 -0.04 2.71 2.52 3ht4E1 ASP 363 HB3 0.02 0.20 -0.06 -0.04 2.70 2.82 3ht4E1 ASP 364 H 0.04 0.17 0.16 -0.55 8.40 8.23 3ht4E1 ASP 364 HA 0.01 0.19 0.65 -0.75 4.63 4.73 3ht4E1 ASP 364 HB2 0.06 -0.03 0.10 -0.04 2.71 2.80 3ht4E1 ASP 364 HB3 0.05 0.02 -0.00 -0.04 2.70 2.73 3ht4E1 VAL 365 H 0.01 0.42 0.19 -0.55 8.24 8.31 3ht4E1 VAL 365 HA -0.01 0.11 0.82 -0.75 4.13 4.30 3ht4E1 VAL 365 HB -0.04 0.07 -0.04 -0.04 2.12 2.07 3ht4E1 VAL 365 HG13 -0.20 -0.00 -0.20 -0.04 0.97 0.52 3ht4E1 VAL 365 HG23 -0.02 -0.00 0.05 -0.04 0.95 0.93 3ht4E1 ILE 366 H 0.06 0.38 0.05 -0.55 8.25 8.18 3ht4E1 ILE 366 HA 0.07 0.29 0.66 -0.75 4.18 4.44 3ht4E1 ILE 366 HB 0.06 -0.10 -0.07 -0.04 1.89 1.73 3ht4E1 ILE 366 HG12 0.04 -0.03 -0.04 -0.04 1.49 1.41 3ht4E1 ILE 366 HG13 0.05 0.12 -0.02 -0.04 1.21 1.32 3ht4E1 ILE 366 HG23 0.09 0.04 -0.08 -0.04 0.93 0.95 3ht4E1 ILE 366 HD13 -0.00 0.10 -0.15 -0.04 0.88 0.79 3ht4E1 ALA 368 HA 0.08 -0.11 0.33 -0.75 4.34 3.89 3ht4E1 ALA 368 HB3 0.05 -0.04 0.14 -0.04 1.41 1.51 3ht4E1 ALA 369 H 0.06 0.12 0.06 -0.55 8.40 8.09 3ht4E1 ALA 369 HA 0.05 0.23 0.63 -0.75 4.34 4.50 3ht4E1 ALA 369 HB3 0.04 -0.01 0.00 -0.04 1.41 1.40 3ht4E1 GLY 370 H 0.03 0.21 0.04 -0.55 8.43 8.16 3ht4E1 GLY 370 HA2 -0.04 0.03 0.63 -0.51 4.01 4.12 3ht4E1 GLY 370 HA3 -0.02 0.15 0.45 -0.51 4.01 4.08 3ht4E1 THR 371 H -0.06 0.31 0.24 -0.55 8.28 8.22 3ht4E1 THR 371 HA -0.12 0.15 0.95 -0.75 4.39 4.62 3ht4E1 THR 371 HB 0.09 -0.13 0.10 -0.04 4.32 4.35 3ht4E1 THR 371 HG23 0.06 -0.00 -0.36 -0.04 1.22 0.87 3ht4E1 PHE 372 H 0.14 0.15 0.18 -0.55 8.34 8.26 3ht4E1 PHE 372 HA 0.00 0.05 0.48 -0.75 4.62 4.41 3ht4E1 PHE 372 HB2 0.01 0.06 0.06 -0.04 3.15 3.24 3ht4E1 PHE 372 HB3 0.01 0.01 0.07 -0.04 3.06 3.11 3ht4E1 PHE 372 HD2 -0.00 -0.00 0.09 -0.04 7.28 7.32 3ht4E1 PHE 372 HE2 -0.05 -0.01 0.04 -0.04 7.38 7.32 3ht4E1 PHE 372 HZ -0.07 -0.00 0.02 -0.04 7.32 7.22 3ht4E1 ILE 373 H 0.16 0.07 -0.15 -0.55 8.25 7.78 3ht4E1 ILE 373 HA 0.08 0.18 0.86 -0.75 4.18 4.54 3ht4E1 ILE 373 HB 0.09 -0.07 -0.04 -0.04 1.89 1.83 3ht4E1 ILE 373 HG12 0.14 -0.17 -0.31 -0.04 1.49 1.11 3ht4E1 ILE 373 HG13 0.08 0.13 -0.24 -0.04 1.21 1.14 3ht4E1 ILE 373 HG23 0.05 0.04 -0.05 -0.04 0.93 0.93 3ht4E1 ILE 373 HD13 0.07 0.04 -0.14 -0.04 0.88 0.81 3ht4E1 GLN 374 H 0.04 0.16 0.09 -0.55 8.47 8.21 3ht4E1 GLN 374 HA 0.01 0.07 0.40 -0.75 4.36 4.09 3ht4E1 GLN 374 HB2 0.01 0.02 0.11 -0.04 2.15 2.26 3ht4E1 GLN 374 HB3 0.02 0.00 0.19 -0.04 2.02 2.19 3ht4E1 GLN 374 HG2 0.02 0.01 -0.24 -0.04 2.40 2.14 3ht4E1 GLN 374 HG3 0.00 0.02 0.01 -0.04 2.39 2.38 3ht4E1 GLN 374 HE21 0.01 -0.02 0.02 -0.04 6.97 6.93 3ht4E1 GLN 374 HE22 0.01 0.01 0.04 -0.04 7.69 7.71 3ht4E1 GLY 375 H 0.02 0.22 0.26 -0.55 8.43 8.39 3ht4E1 GLY 375 HA2 0.03 0.06 0.28 -0.51 4.01 3.87 3ht4E1 GLY 375 HA3 0.03 0.01 0.28 -0.51 4.01 3.81 3ht4E1 ALA 376 H 0.05 0.28 -0.10 -0.55 8.40 8.08 3ht4E1 ALA 376 HA 0.03 0.07 0.62 -0.75 4.34 4.30 3ht4E1 ALA 376 HB3 0.07 0.04 -0.02 -0.04 1.41 1.45 3ht4E1 SER 377 H -0.02 0.13 0.12 -0.55 8.46 8.14 3ht4E1 SER 377 HA 0.08 0.20 -0.07 -0.75 4.49 3.95 3ht4E1 SER 377 HB2 -0.24 -0.14 -0.01 -0.04 3.95 3.52 3ht4E1 SER 377 HB3 0.15 0.09 0.01 -0.04 3.93 4.14 3ht4E1 ILE 378 H 0.05 0.16 -0.24 -0.55 8.25 7.66 3ht4E1 ILE 378 HA 0.11 0.04 0.44 -0.75 4.18 4.01 3ht4E1 ILE 378 HB 0.07 -0.14 -0.27 -0.04 1.89 1.51 3ht4E1 ILE 378 HG12 0.08 -0.01 -0.29 -0.04 1.49 1.23 3ht4E1 ILE 378 HG13 0.09 -0.01 -0.17 -0.04 1.21 1.08 3ht4E1 ILE 378 HG23 0.08 -0.00 -0.21 -0.04 0.93 0.76 3ht4E1 ILE 378 HD13 0.10 0.00 -0.15 -0.04 0.88 0.79 3ht4E1 GLU 379 H 0.11 0.45 -0.29 -0.55 8.60 8.32 3ht4E1 GLU 379 HA 0.15 -0.10 0.84 -0.75 4.29 4.42 3ht4E1 GLU 379 HB2 0.12 0.15 0.03 -0.04 2.09 2.35 3ht4E1 GLU 379 HB3 0.17 -0.02 0.09 -0.04 1.99 2.18 3ht4E1 GLU 379 HG2 0.18 -0.03 -0.02 -0.04 2.34 2.42 3ht4E1 GLU 379 HG3 0.14 0.02 -0.07 -0.04 2.34 2.38 3ht4E1 LEU 380 H 0.21 -0.03 0.12 -0.55 8.37 8.12 3ht4E1 LEU 380 HA 0.11 0.13 -0.08 -0.75 4.35 3.76 3ht4E1 LEU 380 HB2 0.10 -0.15 -0.09 -0.04 1.64 1.47 3ht4E1 LEU 380 HB3 0.17 0.02 -0.00 -0.04 1.64 1.79 3ht4E1 LEU 380 HG 0.04 0.10 -0.32 -0.04 1.64 1.42 3ht4E1 LEU 380 HD13 0.04 -0.01 -0.24 -0.04 0.93 0.68 3ht4E1 LEU 380 HD23 -0.21 -0.00 -0.15 -0.04 0.89 0.48 3ht4E1 SER 381 H 0.11 0.27 0.21 -0.55 8.46 8.51 3ht4E1 SER 381 HA 0.09 0.09 0.65 -0.75 4.49 4.56 3ht4E1 SER 381 HB2 0.11 -0.02 0.00 -0.04 3.95 4.00 3ht4E1 SER 381 HB3 0.09 -0.03 0.08 -0.04 3.93 4.03 3ht4E1 ALA 382 H 0.10 0.41 0.21 -0.55 8.40 8.57 3ht4E1 ALA 382 HA 0.20 0.37 0.94 -0.75 4.34 5.10 3ht4E1 ALA 382 HB3 0.22 -0.02 0.02 -0.04 1.41 1.58 3ht4E1 ASP 383 H 0.22 0.46 0.24 -0.55 8.40 8.78 3ht4E1 ASP 383 HA 0.16 0.38 0.52 -0.75 4.63 4.93 3ht4E1 ASP 383 HB2 0.14 -0.16 0.20 -0.04 2.71 2.85 3ht4E1 ASP 383 HB3 0.12 0.12 0.13 -0.04 2.70 3.03 3ht4E1 GLY 384 H 0.18 0.12 0.06 -0.55 8.43 8.24 3ht4E1 GLY 384 HA2 0.47 0.01 0.53 -0.51 4.01 4.51 3ht4E1 GLY 384 HA3 0.26 0.22 0.47 -0.51 4.01 4.45 3ht4E1 PRO 385 HA -0.02 0.12 0.83 -0.51 4.44 4.86 3ht4E1 PRO 385 HB2 -0.05 -0.01 -0.10 -0.04 2.28 2.07 3ht4E1 PRO 385 HB3 -0.18 -0.01 0.05 -0.04 2.02 1.84 3ht4E1 PRO 385 HG2 0.01 0.06 0.10 -0.04 2.03 2.16 3ht4E1 PRO 385 HG3 -0.17 -0.01 0.05 -0.04 2.03 1.87 3ht4E1 PRO 385 HD2 0.27 0.19 0.26 -0.04 3.68 4.36 3ht4E1 PRO 385 HD3 -0.17 0.05 0.12 -0.04 3.65 3.61 3ht4E1 ILE 386 H 0.04 0.65 0.05 -0.55 8.25 8.44 3ht4E1 ILE 386 HA 0.17 0.15 0.59 -0.75 4.18 4.34 3ht4E1 ILE 386 HB 0.08 -0.14 0.20 -0.04 1.89 1.99 3ht4E1 ILE 386 HG12 0.09 0.14 -0.12 -0.04 1.49 1.56 3ht4E1 ILE 386 HG13 0.06 -0.06 -0.23 -0.04 1.21 0.93 3ht4E1 ILE 386 HG23 0.14 0.00 -0.03 -0.04 0.93 1.00 3ht4E1 ILE 386 HD13 0.06 -0.00 -0.08 -0.04 0.88 0.81 3ht4E1 ARG 387 H 0.05 0.58 0.07 -0.55 8.46 8.62 3ht4E1 ARG 387 HA -0.02 0.10 0.45 -0.75 4.34 4.12 3ht4E1 ARG 387 HB2 -0.05 0.00 0.10 -0.04 1.90 1.92 3ht4E1 ARG 387 HB3 -0.01 -0.05 -0.23 -0.04 1.80 1.47 3ht4E1 ARG 387 HG2 -0.04 0.00 -0.09 -0.04 1.67 1.50 3ht4E1 ARG 387 HG3 -0.08 0.28 -0.22 -0.04 1.67 1.60 3ht4E1 ARG 387 HD2 -0.02 -0.01 -0.05 -0.04 3.22 3.10 3ht4E1 ARG 387 HD3 -0.02 -0.08 -0.11 -0.04 3.22 2.96 3ht4E1 PRO 388 HA -1.01 -0.06 0.51 -0.51 4.44 3.37 3ht4E1 PRO 388 HB2 -0.19 0.05 0.05 -0.04 2.28 2.15 3ht4E1 PRO 388 HB3 -0.27 0.06 0.09 -0.04 2.02 1.86 3ht4E1 PRO 388 HG2 -0.12 0.05 0.08 -0.04 2.03 2.00 3ht4E1 PRO 388 HG3 -0.30 0.04 0.05 -0.04 2.03 1.78 3ht4E1 PRO 388 HD2 -0.13 0.13 0.21 -0.04 3.68 3.85 3ht4E1 PRO 388 HD3 -0.20 0.13 0.07 -0.04 3.65 3.60 3ht4E1 PRO 389 HA -0.36 0.02 0.33 -0.51 4.44 3.93 3ht4E1 PRO 389 HB2 -0.04 0.03 0.19 -0.04 2.28 2.41 3ht4E1 PRO 389 HB3 -0.08 0.03 0.10 -0.04 2.02 2.04 3ht4E1 PRO 389 HG2 -0.08 0.05 0.00 -0.04 2.03 1.97 3ht4E1 PRO 389 HG3 -0.07 0.05 0.04 -0.04 2.03 2.01 3ht4E1 PRO 389 HD2 -0.09 0.09 0.16 -0.04 3.68 3.79 3ht4E1 PRO 389 HD3 -0.09 0.14 0.26 -0.04 3.65 3.92 3ht4E1 TYR 390 H -0.39 0.67 0.29 -0.55 8.29 8.32 3ht4E1 TYR 390 HA 0.03 0.17 0.26 -0.75 4.56 4.28 3ht4E1 TYR 390 HB2 0.06 -0.08 -0.14 -0.04 3.06 2.87 3ht4E1 TYR 390 HB3 0.07 0.11 -0.10 -0.04 2.98 3.01 3ht4E1 TYR 390 HD2 0.02 0.08 -0.40 -0.04 7.15 6.80 3ht4E1 TYR 390 HE2 0.01 0.10 -0.17 -0.04 6.85 6.75 3ht4E1 VAL 391 H -0.02 0.16 -0.02 -0.55 8.24 7.81 3ht4E1 VAL 391 HA -0.10 0.21 0.81 -0.75 4.13 4.29 3ht4E1 VAL 391 HB -0.15 -0.01 0.00 -0.04 2.12 1.92 3ht4E1 VAL 391 HG13 -0.29 0.02 -0.27 -0.04 0.97 0.39 3ht4E1 VAL 391 HG23 -0.10 -0.02 -0.15 -0.04 0.95 0.64 3ht4E1 ALA 392 H -0.15 0.55 0.33 -0.55 8.40 8.58 3ht4E1 ALA 392 HA 0.04 0.17 1.03 -0.75 4.34 4.83 3ht4E1 ALA 392 HB3 0.21 0.01 -0.11 -0.04 1.41 1.47 3ht4E1 TYR 393 H 0.33 1.05 0.43 -0.55 8.29 9.56 3ht4E1 TYR 393 HA -0.01 0.20 0.98 -0.75 4.56 4.98 3ht4E1 TYR 393 HB2 0.05 -0.09 0.11 -0.04 3.06 3.08 3ht4E1 TYR 393 HB3 -0.04 -0.05 -0.03 -0.04 2.98 2.82 3ht4E1 TYR 393 HD2 0.02 0.05 -0.12 -0.04 7.15 7.06 3ht4E1 TYR 393 HE2 0.08 0.06 -0.01 -0.04 6.85 6.93 3ht4E1 VAL 394 H 0.05 0.59 0.33 -0.55 8.24 8.66 3ht4E1 VAL 394 HA 0.19 0.37 1.17 -0.75 4.13 5.12 3ht4E1 VAL 394 HB 0.11 -0.02 0.17 -0.04 2.12 2.33 3ht4E1 VAL 394 HG13 0.36 -0.02 -0.10 -0.04 0.97 1.17 3ht4E1 VAL 394 HG23 0.17 0.01 -0.17 -0.04 0.95 0.91 3ht4E1 GLN 395 H 0.13 0.56 0.34 -0.55 8.47 8.94 3ht4E1 GLN 395 HA 0.09 0.14 0.94 -0.75 4.36 4.77 3ht4E1 GLN 395 HB2 0.04 0.19 0.04 -0.04 2.15 2.38 3ht4E1 GLN 395 HB3 0.04 -0.05 -0.22 -0.04 2.02 1.75 3ht4E1 GLN 395 HG2 0.12 0.10 -0.14 -0.04 2.40 2.44 3ht4E1 GLN 395 HG3 0.12 0.02 -0.13 -0.04 2.39 2.37 3ht4E1 GLN 395 HE21 -0.21 -0.10 -0.09 -0.04 6.97 6.53 3ht4E1 GLN 395 HE22 0.11 0.02 -0.09 -0.04 7.69 7.68 3ht4E1 GLY 396 H 0.10 0.20 0.20 -0.55 8.43 8.39 3ht4E1 GLY 396 HA2 0.13 0.05 0.21 -0.51 4.01 3.90 3ht4E1 GLY 396 HA3 0.13 0.33 0.24 -0.51 4.01 4.19 3ht4E1 GLY 397 H 0.13 0.34 -0.00 -0.55 8.43 8.36 3ht4E1 GLY 397 HA2 0.20 -0.14 0.38 -0.51 4.01 3.94 3ht4E1 GLY 397 HA3 0.11 0.21 0.82 -0.51 4.01 4.64 3ht4E1 LEU 398 H 0.18 0.07 0.22 -0.55 8.37 8.29 3ht4E1 LEU 398 HA 0.07 0.21 0.51 -0.75 4.35 4.39 3ht4E1 LEU 398 HB2 0.08 -0.06 0.12 -0.04 1.64 1.73 3ht4E1 LEU 398 HB3 0.03 0.05 0.10 -0.04 1.64 1.78 3ht4E1 LEU 398 HG 0.15 -0.11 0.09 -0.04 1.64 1.72 3ht4E1 LEU 398 HD13 0.01 0.01 0.06 -0.04 0.93 0.96 3ht4E1 LEU 398 HD23 0.07 0.06 -0.13 -0.04 0.89 0.85 3ht4E1 THR 399 H 0.14 0.10 -0.15 -0.55 8.28 7.81 3ht4E1 THR 399 HA 0.07 0.19 0.39 -0.75 4.39 4.29 3ht4E1 THR 399 HB 0.07 0.11 0.14 -0.04 4.32 4.60 3ht4E1 THR 399 HG23 0.06 0.06 -0.23 -0.04 1.22 1.06 3ht4E1 TYR 400 H 0.13 0.22 0.06 -0.55 8.29 8.15 3ht4E1 TYR 400 HA -0.02 0.19 0.50 -0.75 4.56 4.48 3ht4E1 TYR 400 HB2 -0.10 0.08 0.16 -0.04 3.06 3.17 3ht4E1 TYR 400 HB3 -0.07 -0.07 0.14 -0.04 2.98 2.94 3ht4E1 TYR 400 HD2 -0.11 -0.03 -0.17 -0.04 7.15 6.81 3ht4E1 TYR 400 HE2 -0.08 0.11 -0.17 -0.04 6.85 6.66 3ht4E1 SER 401 H 0.17 0.12 -0.17 -0.55 8.46 8.03 3ht4E1 SER 401 HA -0.02 0.05 0.07 -0.75 4.49 3.84 3ht4E1 SER 401 HB2 0.08 -0.03 0.05 -0.04 3.95 4.02 3ht4E1 SER 401 HB3 0.05 0.08 -0.04 -0.04 3.93 3.98 3ht4E1 HIS 402 H 0.13 0.07 -0.41 -0.55 8.41 7.66 3ht4E1 HIS 402 HA -0.00 0.10 0.58 -0.75 4.63 4.55 3ht4E1 HIS 402 HB2 0.04 -0.06 0.11 -0.04 3.26 3.31 3ht4E1 HIS 402 HB3 0.03 0.05 0.18 -0.04 3.20 3.42 3ht4E1 HIS 402 HD2 0.01 -0.03 0.09 -0.04 6.97 6.99 3ht4E1 HIS 402 HE1 0.04 0.02 0.07 -0.04 7.75 7.83 3ht4E1 VAL 403 H -0.04 0.40 0.08 -0.55 8.24 8.13 3ht4E1 VAL 403 HA -0.19 0.04 0.37 -0.75 4.13 3.60 3ht4E1 VAL 403 HB -0.17 0.02 0.24 -0.04 2.12 2.17 3ht4E1 VAL 403 HG13 0.06 -0.02 -0.12 -0.04 0.97 0.84 3ht4E1 VAL 403 HG23 0.02 0.03 0.11 -0.04 0.95 1.07 3ht4E1 LYS 404 H -0.38 0.57 -0.13 -0.55 8.42 7.91 3ht4E1 LYS 404 HA -0.33 0.05 0.31 -0.75 4.32 3.59 3ht4E1 LYS 404 HB2 -1.17 -0.03 -0.05 -0.04 1.87 0.58 3ht4E1 LYS 404 HB3 -0.41 0.03 -0.07 -0.04 1.79 1.29 3ht4E1 LYS 404 HG2 -1.31 0.01 0.01 -0.04 1.46 0.12 3ht4E1 LYS 404 HG3 -0.93 -0.03 -0.06 -0.04 1.46 0.41 3ht4E1 LYS 404 HD2 -0.20 0.00 -0.17 -0.04 1.69 1.28 3ht4E1 LYS 404 HD3 -0.22 0.02 -0.22 -0.04 1.68 1.21 3ht4E1 LYS 404 HE2 -0.13 -0.01 -0.09 -0.04 2.99 2.72 3ht4E1 LYS 404 HE3 -0.31 -0.00 -0.08 -0.04 2.99 2.56 3ht4E1 ILE 405 H -0.11 0.45 -0.31 -0.55 8.25 7.73 3ht4E1 ILE 405 HA -0.01 0.01 0.56 -0.75 4.18 3.99 3ht4E1 ILE 405 HB 0.01 0.18 0.30 -0.04 1.89 2.33 3ht4E1 ILE 405 HG12 0.01 -0.05 0.03 -0.04 1.49 1.44 3ht4E1 ILE 405 HG13 -0.02 -0.07 0.03 -0.04 1.21 1.11 3ht4E1 ILE 405 HG23 0.03 -0.01 -0.12 -0.04 0.93 0.79 3ht4E1 ILE 405 HD13 0.03 -0.01 -0.05 -0.04 0.88 0.81 3ht4E1 ALA 406 H -0.11 0.56 -0.10 -0.55 8.40 8.21 3ht4E1 ALA 406 HA -0.06 0.05 0.24 -0.75 4.34 3.82 3ht4E1 ALA 406 HB3 -0.22 0.05 0.09 -0.04 1.41 1.28 3ht4E1 ILE 407 H 0.12 0.53 -0.05 -0.55 8.25 8.30 3ht4E1 ILE 407 HA 0.08 0.06 0.51 -0.75 4.18 4.09 3ht4E1 ILE 407 HB 0.35 0.02 0.08 -0.04 1.89 2.29 3ht4E1 ILE 407 HG12 0.61 0.03 -0.12 -0.04 1.49 1.97 3ht4E1 ILE 407 HG13 0.50 0.00 -0.53 -0.04 1.21 1.14 3ht4E1 ILE 407 HG23 0.21 0.09 0.02 -0.04 0.93 1.21 3ht4E1 ILE 407 HD13 -0.00 -0.02 -0.10 -0.04 0.88 0.72 3ht4E1 CYS 408 H 0.16 0.29 -0.65 -0.55 8.50 7.75 3ht4E1 CYS 408 HA 0.33 0.09 0.79 -0.75 4.58 5.03 3ht4E1 CYS 408 HB2 0.10 0.18 0.15 -0.04 2.97 3.36 3ht4E1 CYS 408 HB3 0.11 -0.09 0.02 -0.04 2.97 2.97 3ht4E1 SER 409 H 0.06 0.57 0.02 -0.55 8.46 8.57 3ht4E1 SER 409 HA 0.06 0.08 0.77 -0.75 4.49 4.64 3ht4E1 SER 409 HB2 0.02 0.11 0.15 -0.04 3.95 4.19 3ht4E1 SER 409 HB3 0.07 0.01 -0.04 -0.04 3.93 3.93 3ht4E1 ALA 410 H -0.03 1.05 0.21 -0.55 8.40 9.08 3ht4E1 ALA 410 HA -0.14 -0.00 0.24 -0.75 4.34 3.69 3ht4E1 ALA 410 HB3 -0.49 -0.00 0.04 -0.04 1.41 0.91 3ht4E1 ILE 411 H 0.10 0.23 -0.61 -0.55 8.25 7.41 3ht4E1 ILE 411 HA 0.09 0.09 0.40 -0.75 4.18 4.01 3ht4E1 ILE 411 HB 0.15 0.24 0.14 -0.04 1.89 2.38 3ht4E1 ILE 411 HG12 -0.08 -0.02 0.02 -0.04 1.49 1.37 3ht4E1 ILE 411 HG13 0.17 -0.06 -0.03 -0.04 1.21 1.26 3ht4E1 ILE 411 HG23 0.03 -0.02 -0.16 -0.04 0.93 0.74 3ht4E1 ILE 411 HD13 -0.41 0.07 -0.01 -0.04 0.88 0.50 3ht4E1 ASP 412 H 0.06 0.25 -0.59 -0.55 8.40 7.58 3ht4E1 ASP 412 HA 0.04 -0.07 0.28 -0.75 4.63 4.13 3ht4E1 ASP 412 HB2 0.07 -0.01 0.13 -0.04 2.71 2.85 3ht4E1 ASP 412 HB3 0.05 0.13 0.19 -0.04 2.70 3.03 3ht4E1 GLU 413 H -0.00 0.38 -0.60 -0.55 8.60 7.83 3ht4E1 GLU 413 HA -0.03 0.06 0.59 -0.75 4.29 4.16 3ht4E1 GLU 413 HB2 -0.05 0.15 0.01 -0.04 2.09 2.16 3ht4E1 GLU 413 HB3 -0.06 -0.04 -0.02 -0.04 1.99 1.82 3ht4E1 GLU 413 HG2 -0.09 -0.06 0.01 -0.04 2.34 2.16 3ht4E1 GLU 413 HG3 -0.05 -0.01 -0.09 -0.04 2.34 2.14 3ht4E1 LEU 414 H 0.00 0.45 -0.42 -0.55 8.37 7.86 3ht4E1 LEU 414 HA -0.03 0.05 0.47 -0.75 4.35 4.08 3ht4E1 LEU 414 HB2 0.02 0.05 0.18 -0.04 1.64 1.85 3ht4E1 LEU 414 HB3 0.00 0.00 0.14 -0.04 1.64 1.74 3ht4E1 LEU 414 HG -0.03 -0.00 -0.03 -0.04 1.64 1.54 3ht4E1 LEU 414 HD13 -0.08 -0.02 0.02 -0.04 0.93 0.81 3ht4E1 LEU 414 HD23 0.03 -0.00 -0.01 -0.04 0.89 0.86 3ht4E1 ILE 415 H 0.00 0.36 0.06 -0.55 8.25 8.13 3ht4E1 ILE 415 HA 0.00 -0.00 0.17 -0.75 4.18 3.60 3ht4E1 ILE 415 HB -0.00 -0.07 0.03 -0.04 1.89 1.80 3ht4E1 ILE 415 HG12 -0.01 0.04 -0.60 -0.04 1.49 0.87 3ht4E1 ILE 415 HG13 -0.02 1.11 -0.75 -0.04 1.21 1.51 3ht4E1 ILE 415 HG23 0.01 0.01 -0.07 -0.04 0.93 0.83 3ht4E1 ILE 415 HD13 -0.01 -0.05 -0.04 -0.04 0.88 0.74