============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. PHE 4 1.000 41.535 25.847 15.375 -99.200 -91.000 TRP 13 1.040 27.030 16.509 4.077 -99.200 -91.000 TRP6 13 1.020 25.128 16.344 2.676 -99.200 -91.000 TRP 34 1.040 22.312 34.155 2.403 -99.200 -91.000 TRP6 34 1.020 20.683 33.621 4.035 -99.200 -91.000 TRP 36 1.040 22.632 23.346 0.300 -99.200 -91.000 TRP6 36 1.020 22.521 23.033 2.628 -99.200 -91.000 TRP 46 1.040 17.533 12.961 -0.273 -99.200 -91.000 TRP6 46 1.020 19.798 13.710 -0.134 -99.200 -91.000 TRP 72 1.040 33.512 13.761 1.241 -99.200 -91.000 TRP6 72 1.020 31.722 15.109 2.001 -99.200 -91.000 HIS 78 0.900 37.346 20.244 20.081 -99.200 -91.000 TYR 89 0.840 25.862 16.275 16.802 -99.200 -91.000 TRP 92 1.040 31.665 10.609 7.939 -99.200 -91.000 TRP6 92 1.020 33.815 9.771 7.404 -99.200 -91.000 TYR 99 0.840 47.160 23.949 13.709 -99.200 -91.000 PHE 103 1.000 41.295 30.996 14.688 -99.200 -91.000 PHE 111 1.000 34.722 35.013 22.388 -99.200 -91.000 TYR 122 0.840 33.473 44.764 4.589 -99.200 -91.000 HIS 129 0.900 41.489 45.244 -2.402 -99.200 -91.000 TYR 136 0.840 23.490 35.514 17.263 -99.200 -91.000 TYR 150 0.840 34.123 45.269 17.828 -99.200 -91.000 TRP 161 1.040 37.675 46.203 7.637 -99.200 -91.000 TRP6 161 1.020 35.716 47.544 7.766 -99.200 -91.000 PHE 169 1.000 36.026 44.166 23.754 -99.200 -91.000 TYR 170 0.840 30.195 38.944 24.734 -99.200 -91.000 PHE 190 1.000 19.076 34.593 14.250 -99.200 -91.000 TYR 195 0.840 13.551 22.881 10.094 -99.200 -91.000 TRP 197 1.040 17.812 16.883 9.347 -99.200 -91.000 TRP6 197 1.020 16.324 16.569 11.141 -99.200 -91.000 PHE 203 1.000 25.222 32.202 5.941 -99.200 -91.000 PHE 205 1.000 19.702 29.606 13.774 -99.200 -91.000 PHE 209 1.000 15.336 30.268 17.012 -99.200 -91.000 HIS 211 0.900 24.497 24.356 20.617 -99.200 -91.000 TYR 214 0.840 18.969 29.045 26.665 -99.200 -91.000 HIS 217 0.900 22.282 36.188 24.627 -99.200 -91.000 HIS 239 0.900 5.310 26.292 39.531 -99.200 -91.000 PHE 247 1.000 13.118 20.308 25.471 -99.200 -91.000 PHE 248 1.000 5.956 21.348 21.698 -99.200 -91.000 HIS 250 0.900 7.793 11.446 16.511 -99.200 -91.000 HIS 258 0.900 8.286 15.282 16.764 -99.200 -91.000 HIS 259 0.900 9.404 22.078 17.307 -99.200 -91.000 TYR 262 0.840 5.671 30.521 28.075 -99.200 -91.000 HIS 269 0.900 7.900 26.624 16.495 -99.200 -91.000 TYR 287 0.840 3.897 22.842 16.987 -99.200 -91.000 TYR 291 0.840 4.176 20.795 27.871 -99.200 -91.000 TYR 297 0.840 19.036 23.747 29.165 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3h41A1 SER 29 HA -0.03 -0.06 0.19 -0.75 4.49 3.83 3h41A1 SER 29 HB2 -0.08 -0.09 0.12 -0.04 3.95 3.85 3h41A1 SER 29 HB3 -0.05 -0.02 0.06 -0.04 3.93 3.88 3h41A1 LYS 30 H -0.06 0.06 0.14 -0.55 8.42 8.01 3h41A1 LYS 30 HA -0.11 0.26 0.58 -0.75 4.32 4.29 3h41A1 LYS 30 HB2 0.02 -0.03 0.09 -0.04 1.87 1.91 3h41A1 LYS 30 HB3 0.11 -0.07 0.16 -0.04 1.79 1.95 3h41A1 LYS 30 HG2 -0.23 0.04 -0.05 -0.04 1.46 1.19 3h41A1 LYS 30 HG3 -0.15 0.05 0.07 -0.04 1.46 1.39 3h41A1 LYS 30 HD2 0.40 -0.07 -0.00 -0.04 1.69 1.98 3h41A1 LYS 30 HD3 0.24 0.03 0.01 -0.04 1.68 1.92 3h41A1 LYS 30 HE2 0.09 -0.00 0.01 -0.04 2.99 3.05 3h41A1 LYS 30 HE3 0.16 -0.04 0.01 -0.04 2.99 3.07 3h41A1 ALA 31 H -0.30 0.63 0.46 -0.55 8.40 8.65 3h41A1 ALA 31 HA 0.10 0.14 0.55 -0.75 4.34 4.37 3h41A1 ALA 31 HB3 -0.04 -0.00 -0.01 -0.04 1.41 1.32 3h41A1 PHE 32 H 0.10 0.60 0.36 -0.55 8.34 8.85 3h41A1 PHE 32 HA -0.05 0.34 0.99 -0.75 4.62 5.14 3h41A1 PHE 32 HB2 -0.18 -0.08 -0.03 -0.04 3.15 2.82 3h41A1 PHE 32 HB3 -0.18 0.06 -0.08 -0.04 3.06 2.82 3h41A1 PHE 32 HD2 0.03 0.15 -0.17 -0.04 7.28 7.25 3h41A1 PHE 32 HE2 0.01 -0.02 -0.04 -0.04 7.38 7.29 3h41A1 PHE 32 HZ 0.06 -0.01 0.00 -0.04 7.32 7.33 3h41A1 ILE 33 H 0.03 0.68 0.16 -0.55 8.25 8.57 3h41A1 ILE 33 HA -0.03 0.14 0.53 -0.75 4.18 4.06 3h41A1 ILE 33 HB -0.01 0.03 0.01 -0.04 1.89 1.89 3h41A1 ILE 33 HG12 -0.02 0.23 -0.02 -0.04 1.49 1.64 3h41A1 ILE 33 HG13 -0.02 -0.04 -0.23 -0.04 1.21 0.88 3h41A1 ILE 33 HG23 -0.04 -0.00 -0.28 -0.04 0.93 0.57 3h41A1 ILE 33 HD13 -0.03 -0.02 -0.18 -0.04 0.88 0.60 3h41A1 ASP 34 H -0.06 0.74 0.30 -0.55 8.40 8.84 3h41A1 ASP 34 HA -0.10 0.05 0.59 -0.75 4.63 4.42 3h41A1 ASP 34 HB2 -0.06 -0.01 -0.41 -0.04 2.71 2.19 3h41A1 ASP 34 HB3 -0.06 0.09 -0.32 -0.04 2.70 2.37 3h41A1 VAL 35 H -0.06 0.18 -0.10 -0.55 8.24 7.70 3h41A1 VAL 35 HA -0.07 0.15 0.86 -0.75 4.13 4.31 3h41A1 VAL 35 HB -0.11 -0.13 0.11 -0.04 2.12 1.94 3h41A1 VAL 35 HG13 -0.09 0.06 -0.06 -0.04 0.97 0.83 3h41A1 VAL 35 HG23 -0.09 0.02 -0.25 -0.04 0.95 0.59 3h41A1 SER 36 H -0.09 0.10 0.17 -0.55 8.46 8.10 3h41A1 SER 36 HA -0.00 0.04 0.41 -0.75 4.49 4.19 3h41A1 SER 36 HB2 0.15 -0.02 0.22 -0.04 3.95 4.26 3h41A1 SER 36 HB3 0.01 0.07 0.20 -0.04 3.93 4.16 3h41A1 ALA 37 H -0.15 0.14 -0.03 -0.55 8.40 7.81 3h41A1 ALA 37 HA -0.04 0.29 0.50 -0.75 4.34 4.33 3h41A1 ALA 37 HB3 -0.04 0.01 -0.04 -0.04 1.41 1.30 3h41A1 ALA 38 H -0.05 0.73 0.23 -0.55 8.40 8.76 3h41A1 ALA 38 HA -0.08 0.19 0.91 -0.75 4.34 4.60 3h41A1 ALA 38 HB3 -0.03 0.01 -0.03 -0.04 1.41 1.32 3h41A1 THR 39 H -0.02 0.28 0.17 -0.55 8.28 8.15 3h41A1 THR 39 HA -0.07 0.18 0.85 -0.75 4.39 4.60 3h41A1 THR 39 HB 0.01 0.01 0.13 -0.04 4.32 4.42 3h41A1 THR 39 HG23 -0.35 0.00 -0.13 -0.04 1.22 0.70 3h41A1 LEU 40 H -0.05 0.66 0.34 -0.55 8.37 8.77 3h41A1 LEU 40 HA 0.33 0.35 0.84 -0.75 4.35 5.11 3h41A1 LEU 40 HB2 0.03 -0.02 0.03 -0.04 1.64 1.64 3h41A1 LEU 40 HB3 0.14 -0.04 -0.13 -0.04 1.64 1.57 3h41A1 LEU 40 HG 0.13 0.01 -0.30 -0.04 1.64 1.45 3h41A1 LEU 40 HD13 0.03 -0.03 -0.48 -0.04 0.93 0.40 3h41A1 LEU 40 HD23 0.06 -0.01 -0.31 -0.04 0.89 0.58 3h41A1 TRP 41 H 0.64 0.79 0.26 -0.55 7.97 9.11 3h41A1 TRP 41 HA 0.15 0.21 0.85 -0.75 4.62 5.08 3h41A1 TRP 41 HB2 0.14 -0.06 0.10 -0.04 3.23 3.37 3h41A1 TRP 41 HB3 0.01 0.05 0.18 -0.04 3.23 3.43 3h41A1 TRP 41 HD1 0.39 0.28 0.05 -0.04 7.22 7.89 3h41A1 TRP 41 HE1 0.12 0.05 -0.09 -0.04 10.20 10.23 3h41A1 TRP 41 HE3 0.05 0.10 0.01 -0.04 7.59 7.70 3h41A1 TRP 41 HZ2 0.09 0.01 -0.07 -0.04 7.44 7.43 3h41A1 TRP 41 HZ3 0.35 0.04 -0.09 -0.04 7.13 7.39 3h41A1 TRP 41 HH2 0.49 -0.07 -0.05 -0.04 7.19 7.52 3h41A1 THR 42 H 0.23 0.67 0.13 -0.55 8.28 8.76 3h41A1 THR 42 HA 0.26 0.04 0.42 -0.75 4.39 4.36 3h41A1 THR 42 HB 0.11 -0.06 0.05 -0.04 4.32 4.39 3h41A1 THR 42 HG23 0.12 -0.02 -0.33 -0.04 1.22 0.94 3h41A1 ALA 43 H 0.16 0.24 -0.12 -0.55 8.40 8.14 3h41A1 ALA 43 HA -0.51 0.12 0.53 -0.75 4.34 3.73 3h41A1 ALA 43 HB3 -0.21 0.02 -0.05 -0.04 1.41 1.13 3h41A1 PRO 44 HA -1.28 0.08 0.55 -0.51 4.44 3.28 3h41A1 PRO 44 HB2 -0.84 0.00 0.05 -0.04 2.28 1.45 3h41A1 PRO 44 HB3 -0.51 0.01 0.01 -0.04 2.02 1.49 3h41A1 PRO 44 HG2 -0.77 0.04 -0.03 -0.04 2.03 1.22 3h41A1 PRO 44 HG3 -1.54 0.04 -0.02 -0.04 2.03 0.47 3h41A1 PRO 44 HD2 -0.89 0.13 0.14 -0.04 3.68 3.02 3h41A1 PRO 44 HD3 -2.58 0.16 0.05 -0.04 3.65 1.24 3h41A1 ASP 45 H -3.05 0.10 0.12 -0.55 8.40 5.02 3h41A1 ASP 45 HA -0.57 0.00 0.33 -0.75 4.63 3.64 3h41A1 ASP 45 HB2 -0.41 0.22 -0.22 -0.04 2.71 2.26 3h41A1 ASP 45 HB3 -0.24 0.00 0.16 -0.04 2.70 2.58 3h41A1 SER 46 H -0.90 0.11 -0.23 -0.55 8.46 6.89 3h41A1 SER 46 HA -0.15 0.24 0.78 -0.75 4.49 4.61 3h41A1 SER 46 HB2 -0.17 0.03 -0.03 -0.04 3.95 3.74 3h41A1 SER 46 HB3 0.11 -0.01 0.10 -0.04 3.93 4.09 3h41A1 LEU 47 H -0.34 -0.05 -0.23 -0.55 8.37 7.20 3h41A1 LEU 47 HA -0.40 0.08 0.30 -0.75 4.35 3.57 3h41A1 LEU 47 HB2 -0.08 -0.05 -0.04 -0.04 1.64 1.43 3h41A1 LEU 47 HB3 -0.06 0.14 -0.12 -0.04 1.64 1.56 3h41A1 LEU 47 HG -0.14 -0.14 -0.02 -0.04 1.64 1.30 3h41A1 LEU 47 HD13 0.04 0.01 -0.08 -0.04 0.93 0.85 3h41A1 LEU 47 HD23 -0.39 0.03 -0.11 -0.04 0.89 0.37 3h41A1 ARG 48 H 0.14 0.11 0.15 -0.55 8.46 8.30 3h41A1 ARG 48 HA -0.06 0.24 0.79 -0.75 4.34 4.57 3h41A1 ARG 48 HB2 -0.04 -0.10 0.02 -0.04 1.90 1.73 3h41A1 ARG 48 HB3 -0.15 -0.01 0.11 -0.04 1.80 1.72 3h41A1 ARG 48 HG2 -0.47 0.05 0.02 -0.04 1.67 1.23 3h41A1 ARG 48 HG3 -0.44 0.07 0.00 -0.04 1.67 1.27 3h41A1 ARG 48 HD2 -0.56 -0.03 0.00 -0.04 3.22 2.59 3h41A1 ARG 48 HD3 -1.97 0.04 -0.02 -0.04 3.22 1.23 3h41A1 PRO 49 HA 0.01 0.10 0.38 -0.51 4.44 4.42 3h41A1 PRO 49 HB2 -0.00 0.03 0.05 -0.04 2.28 2.32 3h41A1 PRO 49 HB3 0.00 0.05 0.08 -0.04 2.02 2.12 3h41A1 PRO 49 HG2 -0.03 0.06 0.08 -0.04 2.03 2.10 3h41A1 PRO 49 HG3 -0.02 0.07 0.06 -0.04 2.03 2.10 3h41A1 PRO 49 HD2 -0.07 0.10 0.21 -0.04 3.68 3.88 3h41A1 PRO 49 HD3 -0.04 0.21 0.15 -0.04 3.65 3.94 3h41A1 ILE 50 H 0.02 0.12 -0.18 -0.55 8.25 7.66 3h41A1 ILE 50 HA 0.11 0.10 0.43 -0.75 4.18 4.07 3h41A1 ILE 50 HB 0.03 -0.03 0.07 -0.04 1.89 1.92 3h41A1 ILE 50 HG12 0.14 0.08 0.03 -0.04 1.49 1.70 3h41A1 ILE 50 HG13 0.10 -0.02 0.11 -0.04 1.21 1.36 3h41A1 ILE 50 HG23 0.10 -0.01 -0.17 -0.04 0.93 0.81 3h41A1 ILE 50 HD13 0.02 0.02 -0.05 -0.04 0.88 0.83 3h41A1 ASP 51 H 0.17 0.36 -0.52 -0.55 8.40 7.87 3h41A1 ASP 51 HA 0.54 0.18 0.63 -0.75 4.63 5.23 3h41A1 ASP 51 HB2 0.22 0.05 0.07 -0.04 2.71 3.01 3h41A1 ASP 51 HB3 0.47 0.00 0.09 -0.04 2.70 3.22 3h41A1 VAL 52 H 0.09 0.42 -0.33 -0.55 8.24 7.86 3h41A1 VAL 52 HA -0.02 -0.01 0.26 -0.75 4.13 3.60 3h41A1 VAL 52 HB 0.03 0.15 0.14 -0.04 2.12 2.39 3h41A1 VAL 52 HG13 -0.01 -0.02 -0.10 -0.04 0.97 0.79 3h41A1 VAL 52 HG23 0.01 -0.01 0.04 -0.04 0.95 0.95 3h41A1 PRO 53 HA -0.04 0.08 0.38 -0.51 4.44 4.34 3h41A1 PRO 53 HB2 0.10 0.10 0.02 -0.04 2.28 2.46 3h41A1 PRO 53 HB3 0.04 -0.03 0.14 -0.04 2.02 2.13 3h41A1 PRO 53 HG2 0.19 0.12 -0.06 -0.04 2.03 2.23 3h41A1 PRO 53 HG3 0.08 0.01 0.00 -0.04 2.03 2.08 3h41A1 PRO 53 HD2 0.17 0.31 -0.26 -0.04 3.68 3.86 3h41A1 PRO 53 HD3 0.07 0.09 0.04 -0.04 3.65 3.82 3h41A1 SER 54 H -0.36 0.47 -0.38 -0.55 8.46 7.65 3h41A1 SER 54 HA -0.40 0.03 0.79 -0.75 4.49 4.17 3h41A1 SER 54 HB2 -0.99 -0.04 0.11 -0.04 3.95 2.99 3h41A1 SER 54 HB3 -2.12 -0.06 0.07 -0.04 3.93 1.78 3h41A1 ALA 55 H -0.15 0.55 -0.07 -0.55 8.40 8.18 3h41A1 ALA 55 HA -0.14 0.18 0.74 -0.75 4.34 4.37 3h41A1 ALA 55 HB3 -0.13 -0.02 0.06 -0.04 1.41 1.27 3h41A1 THR 56 H -0.12 0.09 -0.09 -0.55 8.28 7.61 3h41A1 THR 56 HA -0.11 0.05 0.53 -0.75 4.39 4.10 3h41A1 THR 56 HB -0.07 0.01 -0.02 -0.04 4.32 4.20 3h41A1 THR 56 HG23 -0.06 0.01 -0.05 -0.04 1.22 1.08 3h41A1 ASN 57 H -0.08 0.18 0.02 -0.55 8.53 8.10 3h41A1 ASN 57 HA -0.09 0.02 0.63 -0.75 4.76 4.57 3h41A1 ASN 57 HB2 -0.09 0.05 -0.20 -0.04 2.88 2.60 3h41A1 ASN 57 HB3 -0.07 -0.04 0.13 -0.04 2.79 2.76 3h41A1 ASN 57 HD21 -0.06 -0.02 -0.04 -0.04 7.03 6.86 3h41A1 ASN 57 HD22 -0.07 0.47 0.14 -0.04 7.74 8.23 3h41A1 PRO 58 HA -0.08 0.04 0.37 -0.51 4.44 4.26 3h41A1 PRO 58 HB2 -0.05 0.15 0.08 -0.04 2.28 2.42 3h41A1 PRO 58 HB3 -0.05 0.00 0.17 -0.04 2.02 2.10 3h41A1 PRO 58 HG2 -0.03 0.02 0.01 -0.04 2.03 1.99 3h41A1 PRO 58 HG3 -0.03 0.01 0.11 -0.04 2.03 2.09 3h41A1 PRO 58 HD2 -0.04 0.08 0.26 -0.04 3.68 3.94 3h41A1 PRO 58 HD3 -0.04 0.08 0.29 -0.04 3.65 3.94 3h41A1 VAL 59 H -0.11 -0.04 0.17 -0.55 8.24 7.71 3h41A1 VAL 59 HA -0.12 0.23 0.72 -0.75 4.13 4.20 3h41A1 VAL 59 HB -0.22 0.03 0.16 -0.04 2.12 2.05 3h41A1 VAL 59 HG13 -0.16 0.07 0.04 -0.04 0.97 0.87 3h41A1 VAL 59 HG23 -0.26 -0.08 0.09 -0.04 0.95 0.66 3h41A1 ASP 60 H -0.09 0.66 0.19 -0.55 8.40 8.61 3h41A1 ASP 60 HA -0.09 0.09 0.54 -0.75 4.63 4.42 3h41A1 ASP 60 HB2 0.01 0.13 0.04 -0.04 2.71 2.86 3h41A1 ASP 60 HB3 0.04 0.00 0.23 -0.04 2.70 2.92 3h41A1 LEU 61 H -0.41 0.21 0.02 -0.55 8.37 7.63 3h41A1 LEU 61 HA 0.06 0.12 0.37 -0.75 4.35 4.15 3h41A1 LEU 61 HB2 -1.30 -0.00 0.04 -0.04 1.64 0.34 3h41A1 LEU 61 HB3 -0.30 0.10 0.01 -0.04 1.64 1.41 3h41A1 LEU 61 HG -0.50 -0.09 0.01 -0.04 1.64 1.02 3h41A1 LEU 61 HD13 -0.55 0.05 -0.02 -0.04 0.93 0.37 3h41A1 LEU 61 HD23 -0.18 0.05 -0.03 -0.04 0.89 0.68 3h41A1 TRP 62 H -0.06 0.05 -0.07 -0.55 7.97 7.34 3h41A1 TRP 62 HA 0.15 0.23 0.71 -0.75 4.62 4.96 3h41A1 TRP 62 HB2 0.11 -0.07 0.05 -0.04 3.23 3.28 3h41A1 TRP 62 HB3 0.11 0.07 -0.01 -0.04 3.23 3.35 3h41A1 TRP 62 HD1 0.20 -0.04 0.00 -0.04 7.22 7.34 3h41A1 TRP 62 HE1 0.18 -0.00 -0.06 -0.04 10.20 10.28 3h41A1 TRP 62 HE3 0.14 -0.03 0.07 -0.04 7.59 7.73 3h41A1 TRP 62 HZ2 -0.12 0.00 -0.09 -0.04 7.44 7.19 3h41A1 TRP 62 HZ3 0.09 0.10 0.00 -0.04 7.13 7.29 3h41A1 TRP 62 HH2 0.02 0.20 0.05 -0.04 7.19 7.41 3h41A1 LYS 63 H 0.25 0.04 -0.19 -0.55 8.42 7.96 3h41A1 LYS 63 HA 0.18 0.07 0.47 -0.75 4.32 4.28 3h41A1 LYS 63 HB2 0.14 -0.05 0.09 -0.04 1.87 2.01 3h41A1 LYS 63 HB3 0.14 0.15 0.11 -0.04 1.79 2.15 3h41A1 LYS 63 HG2 0.14 0.05 -0.20 -0.04 1.46 1.40 3h41A1 LYS 63 HG3 0.11 -0.02 0.03 -0.04 1.46 1.53 3h41A1 LYS 63 HD2 0.08 -0.00 0.01 -0.04 1.69 1.74 3h41A1 LYS 63 HD3 0.09 0.01 -0.03 -0.04 1.68 1.71 3h41A1 LYS 63 HE2 0.07 -0.00 -0.00 -0.04 2.99 3.01 3h41A1 LYS 63 HE3 0.07 -0.01 0.00 -0.04 2.99 3.01 3h41A1 TRP 64 H 0.31 0.35 -0.19 -0.55 7.97 7.89 3h41A1 TRP 64 HA 0.06 0.08 0.36 -0.75 4.62 4.38 3h41A1 TRP 64 HB2 0.02 -0.05 -0.03 -0.04 3.23 3.13 3h41A1 TRP 64 HB3 -0.00 0.07 0.13 -0.04 3.23 3.39 3h41A1 TRP 64 HD1 0.10 0.26 0.12 -0.04 7.22 7.66 3h41A1 TRP 64 HE1 0.24 -0.09 -0.09 -0.04 10.20 10.22 3h41A1 TRP 64 HE3 -0.05 0.02 -0.02 -0.04 7.59 7.50 3h41A1 TRP 64 HZ2 0.17 -0.04 -0.07 -0.04 7.44 7.46 3h41A1 TRP 64 HZ3 -0.05 0.01 -0.11 -0.04 7.13 6.94 3h41A1 TRP 64 HH2 -0.04 0.04 -0.10 -0.04 7.19 7.05 3h41A1 THR 65 H 0.20 0.48 -0.10 -0.55 8.28 8.31 3h41A1 THR 65 HA -0.43 0.04 0.29 -0.75 4.39 3.54 3h41A1 THR 65 HB -0.01 0.02 0.01 -0.04 4.32 4.30 3h41A1 THR 65 HG23 -0.17 0.01 0.01 -0.04 1.22 1.04 3h41A1 LYS 66 H 0.17 0.53 -0.14 -0.55 8.42 8.42 3h41A1 LYS 66 HA 0.07 0.09 0.41 -0.75 4.32 4.14 3h41A1 LYS 66 HB2 0.15 0.10 0.07 -0.04 1.87 2.16 3h41A1 LYS 66 HB3 0.08 -0.08 0.07 -0.04 1.79 1.81 3h41A1 LYS 66 HG2 0.13 0.02 0.01 -0.04 1.46 1.58 3h41A1 LYS 66 HG3 0.32 0.03 0.09 -0.04 1.46 1.86 3h41A1 LYS 66 HD2 0.07 -0.08 -0.03 -0.04 1.69 1.62 3h41A1 LYS 66 HD3 0.01 -0.03 0.01 -0.04 1.68 1.62 3h41A1 LYS 66 HE2 -0.21 -0.04 0.02 -0.04 2.99 2.72 3h41A1 LYS 66 HE3 -0.26 -0.03 0.00 -0.04 2.99 2.66 3h41A1 SER 67 H 0.07 0.38 -0.45 -0.55 8.46 7.91 3h41A1 SER 67 HA 0.04 0.00 0.41 -0.75 4.49 4.18 3h41A1 SER 67 HB2 0.06 0.00 0.11 -0.04 3.95 4.08 3h41A1 SER 67 HB3 0.09 0.00 0.12 -0.04 3.93 4.10 3h41A1 THR 69 HA -0.01 0.06 0.20 -0.75 4.39 3.90 3h41A1 THR 69 HB -0.01 -0.11 0.14 -0.04 4.32 4.30 3h41A1 THR 69 HG23 -0.01 0.05 0.14 -0.04 1.22 1.36 3h41A1 LEU 70 H -0.00 0.16 0.13 -0.55 8.37 8.11 3h41A1 LEU 70 HA 0.00 0.18 0.54 -0.75 4.35 4.31 3h41A1 LEU 70 HB2 -0.00 0.12 0.13 -0.04 1.64 1.85 3h41A1 LEU 70 HB3 -0.00 -0.05 0.14 -0.04 1.64 1.68 3h41A1 LEU 70 HG -0.01 -0.05 -0.25 -0.04 1.64 1.30 3h41A1 LEU 70 HD13 -0.01 0.01 -0.10 -0.04 0.93 0.79 3h41A1 LEU 70 HD23 -0.02 0.01 -0.01 -0.04 0.89 0.83 3h41A1 ASP 71 H 0.00 0.13 -0.06 -0.55 8.40 7.92 3h41A1 ASP 71 HA 0.02 0.04 0.39 -0.75 4.63 4.34 3h41A1 ASP 71 HB2 0.00 0.01 0.05 -0.04 2.71 2.73 3h41A1 ASP 71 HB3 0.02 0.04 -0.04 -0.04 2.70 2.67 3h41A1 GLU 72 H 0.01 0.15 -0.40 -0.55 8.60 7.81 3h41A1 GLU 72 HA 0.02 -0.00 0.39 -0.75 4.29 3.95 3h41A1 GLU 72 HB2 -0.01 0.33 0.07 -0.04 2.09 2.43 3h41A1 GLU 72 HB3 -0.01 -0.01 -0.03 -0.04 1.99 1.90 3h41A1 GLU 72 HG2 -0.11 -0.06 -0.01 -0.04 2.34 2.13 3h41A1 GLU 72 HG3 -0.04 -0.13 -0.04 -0.04 2.34 2.08 3h41A1 LYS 73 H 0.02 0.50 -0.12 -0.55 8.42 8.27 3h41A1 LYS 73 HA 0.03 0.06 0.53 -0.75 4.32 4.19 3h41A1 LYS 73 HB2 0.02 0.08 0.23 -0.04 1.87 2.16 3h41A1 LYS 73 HB3 0.05 -0.12 0.06 -0.04 1.79 1.74 3h41A1 LYS 73 HG2 -0.13 -0.04 0.07 -0.04 1.46 1.32 3h41A1 LYS 73 HG3 -0.05 0.18 0.08 -0.04 1.46 1.63 3h41A1 LYS 73 HD2 0.01 -0.07 0.02 -0.04 1.69 1.60 3h41A1 LYS 73 HD3 0.03 0.03 0.08 -0.04 1.68 1.78 3h41A1 LYS 73 HE2 -0.09 -0.05 0.06 -0.04 2.99 2.87 3h41A1 LYS 73 HE3 -0.06 0.10 0.06 -0.04 2.99 3.05 3h41A1 LEU 74 H 0.05 0.60 -0.05 -0.55 8.37 8.42 3h41A1 LEU 74 HA -0.02 -0.03 0.42 -0.75 4.35 3.96 3h41A1 LEU 74 HB2 0.03 0.10 0.15 -0.04 1.64 1.88 3h41A1 LEU 74 HB3 -0.03 -0.06 0.06 -0.04 1.64 1.57 3h41A1 LEU 74 HG -0.00 0.17 0.06 -0.04 1.64 1.83 3h41A1 LEU 74 HD13 -0.02 -0.02 -0.06 -0.04 0.93 0.79 3h41A1 LEU 74 HD23 -0.06 -0.03 0.04 -0.04 0.89 0.80 3h41A1 TRP 75 H 0.26 0.52 -0.24 -0.55 7.97 7.96 3h41A1 TRP 75 HA -0.04 -0.05 0.43 -0.75 4.62 4.22 3h41A1 TRP 75 HB2 0.01 0.03 0.10 -0.04 3.23 3.33 3h41A1 TRP 75 HB3 0.04 0.25 0.07 -0.04 3.23 3.55 3h41A1 TRP 75 HD1 0.02 -0.03 -0.00 -0.04 7.22 7.17 3h41A1 TRP 75 HE1 0.04 0.01 -0.03 -0.04 10.20 10.18 3h41A1 TRP 75 HE3 0.18 0.08 -0.16 -0.04 7.59 7.65 3h41A1 TRP 75 HZ2 0.09 0.02 -0.05 -0.04 7.44 7.46 3h41A1 TRP 75 HZ3 0.54 -0.03 -0.05 -0.04 7.13 7.54 3h41A1 TRP 75 HH2 0.25 0.29 0.01 -0.04 7.19 7.70 3h41A1 LEU 76 H 0.28 0.41 -0.32 -0.55 8.37 8.19 3h41A1 LEU 76 HA -0.15 0.02 0.41 -0.75 4.35 3.88 3h41A1 LEU 76 HB2 0.14 0.14 0.15 -0.04 1.64 2.03 3h41A1 LEU 76 HB3 0.21 -0.05 -0.01 -0.04 1.64 1.75 3h41A1 LEU 76 HG 0.43 0.12 0.10 -0.04 1.64 2.25 3h41A1 LEU 76 HD13 0.13 0.01 0.03 -0.04 0.93 1.06 3h41A1 LEU 76 HD23 0.42 -0.02 -0.05 -0.04 0.89 1.20 3h41A1 THR 77 H -0.34 0.28 -0.15 -0.55 8.28 7.52 3h41A1 THR 77 HA -1.58 0.07 0.63 -0.75 4.39 2.75 3h41A1 THR 77 HB -0.54 0.10 0.22 -0.04 4.32 4.06 3h41A1 THR 77 HG23 -1.25 -0.01 -0.03 -0.04 1.22 -0.11 3h41A1 ASN 78 H -0.27 0.66 0.17 -0.55 8.53 8.54 3h41A1 ASN 78 HA -0.22 0.06 0.29 -0.75 4.76 4.14 3h41A1 ASN 78 HB2 -0.09 0.01 0.04 -0.04 2.88 2.81 3h41A1 ASN 78 HB3 -0.09 -0.01 0.06 -0.04 2.79 2.70 3h41A1 ASN 78 HD21 -0.07 -0.05 0.00 -0.04 7.03 6.87 3h41A1 ASN 78 HD22 -0.04 -0.01 -0.04 -0.04 7.74 7.61 3h41A1 ALA 79 H -0.43 0.59 -0.12 -0.55 8.40 7.89 3h41A1 ALA 79 HA -0.21 0.12 0.79 -0.75 4.34 4.29 3h41A1 ALA 79 HB3 -0.76 0.00 0.06 -0.04 1.41 0.67 3h41A1 ASN 80 H -0.26 0.33 -0.61 -0.55 8.53 7.44 3h41A1 ASN 80 HA -0.02 0.04 0.41 -0.75 4.76 4.43 3h41A1 ASN 80 HB2 -0.05 0.00 -0.05 -0.04 2.88 2.75 3h41A1 ASN 80 HB3 -0.05 0.07 -0.05 -0.04 2.79 2.72 3h41A1 ASN 80 HD21 0.06 -0.03 0.03 -0.04 7.03 7.04 3h41A1 ASN 80 HD22 0.02 -0.01 0.03 -0.04 7.74 7.74 3h41A1 LYS 81 H -0.13 0.58 0.15 -0.55 8.42 8.48 3h41A1 LYS 81 HA -0.02 0.19 0.66 -0.75 4.32 4.39 3h41A1 LYS 81 HB2 -0.27 0.02 0.09 -0.04 1.87 1.67 3h41A1 LYS 81 HB3 0.06 -0.07 -0.03 -0.04 1.79 1.71 3h41A1 LYS 81 HG2 -0.78 0.03 -0.35 -0.04 1.46 0.32 3h41A1 LYS 81 HG3 -1.89 -0.07 -0.12 -0.04 1.46 -0.66 3h41A1 LYS 81 HD2 0.12 0.01 -0.01 -0.04 1.69 1.78 3h41A1 LYS 81 HD3 -0.01 -0.00 -0.01 -0.04 1.68 1.63 3h41A1 LYS 81 HE2 -0.55 -0.08 -0.05 -0.04 2.99 2.27 3h41A1 LYS 81 HE3 0.06 -0.05 -0.02 -0.04 2.99 2.94 3h41A1 LEU 82 H 0.14 0.17 0.10 -0.55 8.37 8.22 3h41A1 LEU 82 HA -0.24 0.19 1.07 -0.75 4.35 4.62 3h41A1 LEU 82 HB2 0.07 -0.07 -0.15 -0.04 1.64 1.44 3h41A1 LEU 82 HB3 -0.23 0.07 -0.06 -0.04 1.64 1.39 3h41A1 LEU 82 HG -0.17 -0.10 -0.15 -0.04 1.64 1.18 3h41A1 LEU 82 HD13 0.10 0.00 -0.14 -0.04 0.93 0.85 3h41A1 LEU 82 HD23 -1.54 0.04 -0.25 -0.04 0.89 -0.90 3h41A1 GLU 83 H -0.10 0.71 0.30 -0.55 8.60 8.97 3h41A1 GLU 83 HA 0.06 0.12 0.84 -0.75 4.29 4.55 3h41A1 GLU 83 HB2 0.09 -0.08 -0.02 -0.04 2.09 2.04 3h41A1 GLU 83 HB3 0.30 0.10 -0.06 -0.04 1.99 2.28 3h41A1 GLU 83 HG2 0.15 -0.16 -0.57 -0.04 2.34 1.72 3h41A1 GLU 83 HG3 0.19 0.00 -0.15 -0.04 2.34 2.34 3h41A1 THR 84 H -0.12 0.27 0.30 -0.55 8.28 8.18 3h41A1 THR 84 HA -0.31 0.13 0.52 -0.75 4.39 3.97 3h41A1 THR 84 HB -0.85 0.09 -0.21 -0.04 4.32 3.32 3h41A1 THR 84 HG23 -0.13 -0.02 -0.31 -0.04 1.22 0.72 3h41A1 GLN 85 H -0.15 0.28 0.22 -0.55 8.47 8.27 3h41A1 GLN 85 HA -0.07 0.26 0.85 -0.75 4.36 4.65 3h41A1 GLN 85 HB2 -0.06 -0.09 0.06 -0.04 2.15 2.02 3h41A1 GLN 85 HB3 -0.05 -0.00 -0.07 -0.04 2.02 1.86 3h41A1 GLN 85 HG2 -0.07 -0.02 -0.07 -0.04 2.40 2.20 3h41A1 GLN 85 HG3 -0.07 0.11 -0.35 -0.04 2.39 2.03 3h41A1 GLN 85 HE21 0.16 -0.02 -0.16 -0.04 6.97 6.91 3h41A1 GLN 85 HE22 0.02 0.00 -0.17 -0.04 7.69 7.50 3h41A1 ALA 86 H -0.03 0.55 0.27 -0.55 8.40 8.64 3h41A1 ALA 86 HA -0.01 0.20 0.89 -0.75 4.34 4.67 3h41A1 ALA 86 HB3 -0.01 -0.00 -0.05 -0.04 1.41 1.30 3h41A1 LEU 87 H 0.01 0.19 0.18 -0.55 8.37 8.20 3h41A1 LEU 87 HA 0.00 0.15 0.82 -0.75 4.35 4.57 3h41A1 LEU 87 HB2 0.01 0.03 0.10 -0.04 1.64 1.74 3h41A1 LEU 87 HB3 0.02 0.01 0.18 -0.04 1.64 1.80 3h41A1 LEU 87 HG 0.03 0.01 0.07 -0.04 1.64 1.71 3h41A1 LEU 87 HD13 0.03 0.05 -0.12 -0.04 0.93 0.85 3h41A1 LEU 87 HD23 0.04 -0.02 -0.01 -0.04 0.89 0.87 3h41A1 LEU 88 H -0.00 0.50 0.29 -0.55 8.37 8.62 3h41A1 LEU 88 HA -0.04 0.02 0.32 -0.75 4.35 3.90 3h41A1 LEU 88 HB2 -0.02 0.00 -0.02 -0.04 1.64 1.56 3h41A1 LEU 88 HB3 -0.01 -0.07 0.10 -0.04 1.64 1.63 3h41A1 LEU 88 HG -0.07 0.08 -0.23 -0.04 1.64 1.38 3h41A1 LEU 88 HD13 -0.08 -0.03 -0.26 -0.04 0.93 0.51 3h41A1 LEU 88 HD23 -0.03 -0.04 -0.16 -0.04 0.89 0.63 3h41A1 GLY 89 H -0.05 0.63 0.30 -0.55 8.43 8.75 3h41A1 GLY 89 HA2 -0.09 -0.09 0.40 -0.51 4.01 3.71 3h41A1 GLY 89 HA3 0.12 0.17 0.56 -0.51 4.01 4.34 3h41A1 GLN 90 H 0.05 0.65 -0.18 -0.55 8.47 8.45 3h41A1 GLN 90 HA 0.09 0.05 0.58 -0.75 4.36 4.33 3h41A1 GLN 90 HB2 0.02 0.07 0.18 -0.04 2.15 2.38 3h41A1 GLN 90 HB3 0.01 -0.13 0.07 -0.04 2.02 1.93 3h41A1 GLN 90 HG2 0.01 0.05 0.05 -0.04 2.40 2.46 3h41A1 GLN 90 HG3 0.03 -0.00 0.18 -0.04 2.39 2.56 3h41A1 GLN 90 HE21 0.08 -0.02 -0.02 -0.04 6.97 6.97 3h41A1 GLN 90 HE22 0.07 0.42 0.12 -0.04 7.69 8.26 3h41A1 GLU 91 H 0.02 0.13 0.28 -0.55 8.60 8.49 3h41A1 GLU 91 HA -0.48 0.22 0.89 -0.75 4.29 4.16 3h41A1 GLU 91 HB2 0.04 0.03 0.17 -0.04 2.09 2.29 3h41A1 GLU 91 HB3 -0.26 -0.07 0.15 -0.04 1.99 1.78 3h41A1 GLU 91 HG2 -0.77 0.03 -0.05 -0.04 2.34 1.51 3h41A1 GLU 91 HG3 -0.99 0.06 0.15 -0.04 2.34 1.51 3h41A1 VAL 92 H -0.50 0.72 0.44 -0.55 8.24 8.35 3h41A1 VAL 92 HA -0.30 0.24 0.99 -0.75 4.13 4.30 3h41A1 VAL 92 HB -0.10 -0.03 -0.17 -0.04 2.12 1.78 3h41A1 VAL 92 HG13 -0.09 0.00 -0.37 -0.04 0.97 0.47 3h41A1 VAL 92 HG23 -0.14 -0.00 -0.34 -0.04 0.95 0.42 3h41A1 THR 93 H 0.00 0.49 0.25 -0.55 8.28 8.47 3h41A1 THR 93 HA -0.04 0.29 0.90 -0.75 4.39 4.79 3h41A1 THR 93 HB 0.06 -0.12 0.08 -0.04 4.32 4.30 3h41A1 THR 93 HG23 0.00 0.02 -0.20 -0.04 1.22 1.00 3h41A1 VAL 94 H -0.06 0.85 0.21 -0.55 8.24 8.70 3h41A1 VAL 94 HA -0.08 0.06 0.75 -0.75 4.13 4.10 3h41A1 VAL 94 HB -0.05 0.08 0.07 -0.04 2.12 2.19 3h41A1 VAL 94 HG13 -0.04 -0.03 -0.08 -0.04 0.97 0.77 3h41A1 VAL 94 HG23 -0.06 0.00 -0.15 -0.04 0.95 0.70 3h41A1 VAL 95 H -0.13 0.57 0.32 -0.55 8.24 8.45 3h41A1 VAL 95 HA -0.05 0.25 0.95 -0.75 4.13 4.52 3h41A1 VAL 95 HB -0.07 -0.05 0.01 -0.04 2.12 1.97 3h41A1 VAL 95 HG13 -0.06 0.02 -0.27 -0.04 0.97 0.63 3h41A1 VAL 95 HG23 -0.18 0.00 -0.28 -0.04 0.95 0.45 3h41A1 ASP 96 H -0.15 0.40 0.30 -0.55 8.40 8.40 3h41A1 ASP 96 HA 0.01 0.14 0.56 -0.75 4.63 4.58 3h41A1 ASP 96 HB2 -0.09 0.07 -0.30 -0.04 2.71 2.34 3h41A1 ASP 96 HB3 -0.26 -0.10 -0.08 -0.04 2.70 2.22 3h41A1 LYS 97 H 0.14 0.29 0.13 -0.55 8.42 8.42 3h41A1 LYS 97 HA 0.25 0.20 0.85 -0.75 4.32 4.87 3h41A1 LYS 97 HB2 0.07 0.05 -0.08 -0.04 1.87 1.87 3h41A1 LYS 97 HB3 0.08 -0.05 0.05 -0.04 1.79 1.83 3h41A1 LYS 97 HG2 0.11 -0.11 -0.25 -0.04 1.46 1.16 3h41A1 LYS 97 HG3 0.13 0.16 -0.12 -0.04 1.46 1.60 3h41A1 LYS 97 HD2 0.04 -0.00 -0.09 -0.04 1.69 1.60 3h41A1 LYS 97 HD3 0.04 -0.05 -0.06 -0.04 1.68 1.57 3h41A1 LYS 97 HE2 0.04 -0.09 -0.05 -0.04 2.99 2.85 3h41A1 LYS 97 HE3 0.05 0.30 -0.02 -0.04 2.99 3.28 3h41A1 LYS 98 H 0.43 0.70 0.12 -0.55 8.42 9.12 3h41A1 LYS 98 HA 0.13 0.13 0.79 -0.75 4.32 4.62 3h41A1 LYS 98 HB2 0.01 -0.06 0.12 -0.04 1.87 1.89 3h41A1 LYS 98 HB3 -0.02 0.00 0.04 -0.04 1.79 1.77 3h41A1 LYS 98 HG2 0.43 -0.08 -0.43 -0.04 1.46 1.33 3h41A1 LYS 98 HG3 -0.19 0.01 -0.08 -0.04 1.46 1.16 3h41A1 LYS 98 HD2 0.00 -0.03 0.02 -0.04 1.69 1.65 3h41A1 LYS 98 HD3 0.11 0.12 0.06 -0.04 1.68 1.93 3h41A1 LYS 98 HE2 0.22 -0.01 -0.07 -0.04 2.99 3.09 3h41A1 LYS 98 HE3 0.02 0.00 -0.02 -0.04 2.99 2.94 3h41A1 GLY 99 H 0.09 0.17 0.05 -0.55 8.43 8.19 3h41A1 GLY 99 HA2 0.07 0.06 0.34 -0.51 4.01 3.97 3h41A1 GLY 99 HA3 0.11 -0.01 0.51 -0.51 4.01 4.12 3h41A1 ASP 100 H 0.18 0.12 0.24 -0.55 8.40 8.38 3h41A1 ASP 100 HA 0.00 0.15 0.55 -0.75 4.63 4.58 3h41A1 ASP 100 HB2 0.00 0.00 0.13 -0.04 2.71 2.80 3h41A1 ASP 100 HB3 -0.18 -0.03 0.19 -0.04 2.70 2.64 3h41A1 TRP 101 H 0.40 0.50 -0.23 -0.55 7.97 8.09 3h41A1 TRP 101 HA 0.11 0.06 0.97 -0.75 4.62 5.00 3h41A1 TRP 101 HB2 0.10 0.14 0.14 -0.04 3.23 3.57 3h41A1 TRP 101 HB3 0.36 0.06 0.00 -0.04 3.23 3.62 3h41A1 TRP 101 HD1 -0.04 -0.02 0.05 -0.04 7.22 7.16 3h41A1 TRP 101 HE1 -0.11 0.06 0.04 -0.04 10.20 10.14 3h41A1 TRP 101 HE3 0.23 -0.02 -0.19 -0.04 7.59 7.57 3h41A1 TRP 101 HZ2 -0.30 0.01 0.01 -0.04 7.44 7.12 3h41A1 TRP 101 HZ3 0.07 0.26 -0.26 -0.04 7.13 7.15 3h41A1 TRP 101 HH2 -0.74 0.08 -0.03 -0.04 7.19 6.47 3h41A1 VAL 102 H 0.29 0.20 0.19 -0.55 8.24 8.37 3h41A1 VAL 102 HA 0.21 0.19 1.00 -0.75 4.13 4.77 3h41A1 VAL 102 HB -0.03 0.15 -0.02 -0.04 2.12 2.18 3h41A1 VAL 102 HG13 0.04 0.00 -0.08 -0.04 0.97 0.90 3h41A1 VAL 102 HG23 0.01 -0.02 -0.14 -0.04 0.95 0.75 3h41A1 LYS 103 H -0.40 0.48 0.17 -0.55 8.42 8.12 3h41A1 LYS 103 HA -0.83 0.28 0.81 -0.75 4.32 3.83 3h41A1 LYS 103 HB2 -2.90 -0.05 -0.10 -0.04 1.87 -1.22 3h41A1 LYS 103 HB3 -0.76 -0.09 0.03 -0.04 1.79 0.93 3h41A1 LYS 103 HG2 -0.52 0.07 -0.12 -0.04 1.46 0.85 3h41A1 LYS 103 HG3 -1.25 0.01 -0.15 -0.04 1.46 0.03 3h41A1 LYS 103 HD2 -0.37 -0.01 -0.12 -0.04 1.69 1.15 3h41A1 LYS 103 HD3 -0.31 -0.02 -0.14 -0.04 1.68 1.17 3h41A1 LYS 103 HE2 -0.18 0.01 -0.10 -0.04 2.99 2.68 3h41A1 LYS 103 HE3 -0.14 0.03 -0.11 -0.04 2.99 2.73 3h41A1 VAL 104 H -0.24 0.62 0.33 -0.55 8.24 8.40 3h41A1 VAL 104 HA -0.12 0.27 0.90 -0.75 4.13 4.43 3h41A1 VAL 104 HB -0.07 0.00 -0.15 -0.04 2.12 1.86 3h41A1 VAL 104 HG13 -0.06 -0.01 -0.41 -0.04 0.97 0.45 3h41A1 VAL 104 HG23 -0.02 0.02 -0.24 -0.04 0.95 0.68 3h41A1 LEU 105 H -0.04 0.58 0.21 -0.55 8.37 8.58 3h41A1 LEU 105 HA -0.00 0.29 0.38 -0.75 4.35 4.27 3h41A1 LEU 105 HB2 0.05 -0.05 -0.05 -0.04 1.64 1.55 3h41A1 LEU 105 HB3 0.01 -0.04 -0.37 -0.04 1.64 1.20 3h41A1 LEU 105 HG -0.05 0.03 -0.23 -0.04 1.64 1.35 3h41A1 LEU 105 HD13 -0.04 -0.03 -0.12 -0.04 0.93 0.70 3h41A1 LEU 105 HD23 -0.08 0.08 -0.21 -0.04 0.89 0.64 3h41A1 VAL 106 H 0.08 0.67 0.04 -0.55 8.24 8.48 3h41A1 VAL 106 HA 0.03 0.13 0.58 -0.75 4.13 4.12 3h41A1 VAL 106 HB 0.09 -0.10 0.14 -0.04 2.12 2.20 3h41A1 VAL 106 HG13 0.03 0.05 -0.15 -0.04 0.97 0.86 3h41A1 VAL 106 HG23 0.02 0.04 -0.18 -0.04 0.95 0.79 3h41A1 HIS 107 H 0.10 0.55 0.40 -0.55 8.41 8.91 3h41A1 HIS 107 HA 0.01 0.13 0.52 -0.75 4.63 4.53 3h41A1 HIS 107 HB2 0.00 0.03 0.18 -0.04 3.26 3.44 3h41A1 HIS 107 HB3 0.01 -0.03 0.08 -0.04 3.20 3.21 3h41A1 HIS 107 HD2 -0.03 0.04 -0.13 -0.04 6.97 6.80 3h41A1 HIS 107 HE1 -0.03 -0.04 -0.09 -0.04 7.75 7.55 3h41A1 GLY 108 H 0.07 0.14 0.15 -0.55 8.43 8.25 3h41A1 GLY 108 HA2 0.08 -0.01 0.29 -0.51 4.01 3.86 3h41A1 GLY 108 HA3 0.09 0.15 0.49 -0.51 4.01 4.24 3h41A1 GLN 109 H 0.09 0.21 -0.27 -0.55 8.47 7.95 3h41A1 GLN 109 HA 0.01 0.28 0.84 -0.75 4.36 4.73 3h41A1 GLN 109 HB2 0.07 -0.05 0.11 -0.04 2.15 2.23 3h41A1 GLN 109 HB3 -0.11 -0.05 0.07 -0.04 2.02 1.89 3h41A1 GLN 109 HG2 -0.00 0.13 -0.06 -0.04 2.40 2.44 3h41A1 GLN 109 HG3 0.05 0.04 -0.33 -0.04 2.39 2.11 3h41A1 GLN 109 HE21 -0.06 0.47 0.21 -0.04 6.97 7.56 3h41A1 GLN 109 HE22 0.04 -0.01 0.06 -0.04 7.69 7.74 3h41A1 PRO 110 HA 0.03 0.06 0.28 -0.51 4.44 4.30 3h41A1 PRO 110 HB2 0.04 -0.07 -0.10 -0.04 2.28 2.11 3h41A1 PRO 110 HB3 0.03 0.04 -0.05 -0.04 2.02 1.99 3h41A1 PRO 110 HG2 0.07 0.11 -0.33 -0.04 2.03 1.84 3h41A1 PRO 110 HG3 0.06 0.00 -0.16 -0.04 2.03 1.89 3h41A1 PRO 110 HD2 0.11 0.29 0.03 -0.04 3.68 4.07 3h41A1 PRO 110 HD3 0.14 0.32 -0.37 -0.04 3.65 3.70 3h41A1 THR 111 H -0.01 0.36 0.17 -0.55 8.28 8.25 3h41A1 THR 111 HA 0.01 0.10 0.52 -0.75 4.39 4.26 3h41A1 THR 111 HB -0.03 0.11 0.06 -0.04 4.32 4.42 3h41A1 THR 111 HG23 -0.27 0.04 -0.06 -0.04 1.22 0.88 3h41A1 PRO 112 HA -0.03 0.13 0.53 -0.51 4.44 4.56 3h41A1 PRO 112 HB2 -0.03 0.04 -0.03 -0.04 2.28 2.22 3h41A1 PRO 112 HB3 -0.02 0.06 0.08 -0.04 2.02 2.10 3h41A1 PRO 112 HG2 -0.03 0.03 0.02 -0.04 2.03 2.01 3h41A1 PRO 112 HG3 -0.02 0.06 0.03 -0.04 2.03 2.06 3h41A1 PRO 112 HD2 -0.02 0.08 0.22 -0.04 3.68 3.93 3h41A1 PRO 112 HD3 -0.01 0.16 0.08 -0.04 3.65 3.84 3h41A1 ARG 113 H -0.11 0.04 -0.36 -0.55 8.46 7.48 3h41A1 ARG 113 HA -0.07 0.08 0.45 -0.75 4.34 4.05 3h41A1 ARG 113 HB2 -0.25 0.05 0.03 -0.04 1.90 1.69 3h41A1 ARG 113 HB3 -0.13 0.02 0.07 -0.04 1.80 1.72 3h41A1 ARG 113 HG2 -0.07 0.01 0.02 -0.04 1.67 1.59 3h41A1 ARG 113 HG3 -0.10 -0.10 0.03 -0.04 1.67 1.45 3h41A1 ARG 113 HD2 -0.07 -0.02 0.03 -0.04 3.22 3.11 3h41A1 ARG 113 HD3 -0.33 0.02 0.04 -0.04 3.22 2.91 3h41A1 ASN 114 H -0.10 0.35 -0.35 -0.55 8.53 7.89 3h41A1 ASN 114 HA -0.06 0.07 0.65 -0.75 4.76 4.67 3h41A1 ASN 114 HB2 -0.10 0.09 -0.26 -0.04 2.88 2.58 3h41A1 ASN 114 HB3 -0.10 0.34 0.09 -0.04 2.79 3.08 3h41A1 ASN 114 HD21 -0.05 -0.02 -0.01 -0.04 7.03 6.91 3h41A1 ASN 114 HD22 -0.06 0.10 0.03 -0.04 7.74 7.77 3h41A1 GLU 115 H -0.05 0.15 0.12 -0.55 8.60 8.28 3h41A1 GLU 115 HA -0.04 0.16 0.30 -0.75 4.29 3.96 3h41A1 GLU 115 HB2 -0.04 0.00 0.10 -0.04 2.09 2.11 3h41A1 GLU 115 HB3 -0.04 0.00 0.09 -0.04 1.99 2.00 3h41A1 GLU 115 HG2 -0.03 0.05 -0.03 -0.04 2.34 2.29 3h41A1 GLU 115 HG3 -0.03 -0.01 -0.01 -0.04 2.34 2.24 3h41A1 GLU 116 H -0.06 0.03 -0.27 -0.55 8.60 7.75 3h41A1 GLU 116 HA -0.11 0.19 0.65 -0.75 4.29 4.27 3h41A1 GLU 116 HB2 -0.07 -0.05 -0.02 -0.04 2.09 1.91 3h41A1 GLU 116 HB3 -0.06 0.02 -0.08 -0.04 1.99 1.83 3h41A1 GLU 116 HG2 -0.17 0.02 -0.15 -0.04 2.34 2.00 3h41A1 GLU 116 HG3 -0.21 0.01 0.03 -0.04 2.34 2.14 3h41A1 GLY 117 H -0.05 0.17 -0.15 -0.55 8.43 7.86 3h41A1 GLY 117 HA2 0.03 0.10 0.22 -0.51 4.01 3.84 3h41A1 GLY 117 HA3 0.06 0.02 -0.10 -0.51 4.01 3.47 3h41A1 TYR 118 H 0.14 0.48 0.22 -0.55 8.29 8.58 3h41A1 TYR 118 HA -0.03 0.09 0.51 -0.75 4.56 4.37 3h41A1 TYR 118 HB2 -0.05 0.16 0.15 -0.04 3.06 3.27 3h41A1 TYR 118 HB3 -0.04 -0.07 0.04 -0.04 2.98 2.87 3h41A1 TYR 118 HD2 -0.06 0.10 -0.24 -0.04 7.15 6.90 3h41A1 TYR 118 HE2 -0.06 -0.07 -0.03 -0.04 6.85 6.64 3h41A1 PRO 119 HA -0.04 0.41 0.74 -0.51 4.44 5.04 3h41A1 PRO 119 HB2 -0.08 0.01 -0.03 -0.04 2.28 2.14 3h41A1 PRO 119 HB3 -0.10 -0.00 0.03 -0.04 2.02 1.90 3h41A1 PRO 119 HG2 -0.15 0.03 0.06 -0.04 2.03 1.93 3h41A1 PRO 119 HG3 -0.17 0.01 0.02 -0.04 2.03 1.85 3h41A1 PRO 119 HD2 -0.94 0.04 0.21 -0.04 3.68 2.95 3h41A1 PRO 119 HD3 -0.31 0.22 0.26 -0.04 3.65 3.79 3h41A1 GLY 120 H -0.09 0.43 0.35 -0.55 8.43 8.57 3h41A1 GLY 120 HA2 0.12 0.10 0.16 -0.51 4.01 3.88 3h41A1 GLY 120 HA3 0.15 0.04 0.49 -0.51 4.01 4.18 3h41A1 TRP 121 H 0.51 0.75 0.19 -0.55 7.97 8.87 3h41A1 TRP 121 HA 0.23 0.40 0.75 -0.75 4.62 5.25 3h41A1 TRP 121 HB2 0.20 0.07 -0.22 -0.04 3.23 3.23 3h41A1 TRP 121 HB3 0.29 -0.09 -0.10 -0.04 3.23 3.29 3h41A1 TRP 121 HD1 0.09 0.21 -0.37 -0.04 7.22 7.10 3h41A1 TRP 121 HE1 0.03 0.07 -0.12 -0.04 10.20 10.14 3h41A1 TRP 121 HE3 0.24 -0.02 -0.48 -0.04 7.59 7.29 3h41A1 TRP 121 HZ2 0.02 0.03 -0.10 -0.04 7.44 7.35 3h41A1 TRP 121 HZ3 0.11 -0.06 -0.35 -0.04 7.13 6.79 3h41A1 TRP 121 HH2 0.04 -0.01 -0.21 -0.04 7.19 6.97 3h41A1 PRO 123 HA -0.83 -0.03 0.43 -0.51 4.44 3.50 3h41A1 PRO 123 HB2 -0.36 -0.05 0.05 -0.04 2.28 1.88 3h41A1 PRO 123 HB3 -0.63 -0.04 0.11 -0.04 2.02 1.42 3h41A1 PRO 123 HG2 -0.45 0.22 0.20 -0.04 2.03 1.96 3h41A1 PRO 123 HG3 -1.41 -0.11 0.11 -0.04 2.03 0.58 3h41A1 PRO 123 HD2 -0.21 0.05 0.22 -0.04 3.68 3.70 3h41A1 PRO 123 HD3 -0.41 0.04 0.52 -0.04 3.65 3.76 3h41A1 GLU 124 H -0.21 0.65 0.33 -0.55 8.60 8.82 3h41A1 GLU 124 HA -0.06 0.07 0.42 -0.75 4.29 3.96 3h41A1 GLU 124 HB2 -0.03 0.01 -0.04 -0.04 2.09 1.99 3h41A1 GLU 124 HB3 -0.07 -0.01 0.03 -0.04 1.99 1.91 3h41A1 GLU 124 HG2 -0.03 0.02 -0.10 -0.04 2.34 2.18 3h41A1 GLU 124 HG3 -0.02 -0.00 0.02 -0.04 2.34 2.29 3h41A1 LYS 125 H -0.18 0.08 -0.23 -0.55 8.42 7.54 3h41A1 LYS 125 HA -0.08 0.12 0.42 -0.75 4.32 4.04 3h41A1 LYS 125 HB2 -0.09 0.02 0.13 -0.04 1.87 1.89 3h41A1 LYS 125 HB3 -0.11 -0.05 0.10 -0.04 1.79 1.69 3h41A1 LYS 125 HG2 -0.22 -0.08 -0.03 -0.04 1.46 1.10 3h41A1 LYS 125 HG3 -0.15 0.09 -0.25 -0.04 1.46 1.11 3h41A1 LYS 125 HD2 -0.10 -0.01 0.02 -0.04 1.69 1.56 3h41A1 LYS 125 HD3 -0.14 -0.06 0.03 -0.04 1.68 1.48 3h41A1 LYS 125 HE2 -0.22 0.05 0.03 -0.04 2.99 2.81 3h41A1 LYS 125 HE3 -0.14 0.00 0.08 -0.04 2.99 2.89 3h41A1 GLN 126 H -0.13 0.44 -0.57 -0.55 8.47 7.67 3h41A1 GLN 126 HA -0.09 0.12 0.65 -0.75 4.36 4.28 3h41A1 GLN 126 HB2 -0.11 0.23 0.03 -0.04 2.15 2.26 3h41A1 GLN 126 HB3 -0.08 -0.16 0.08 -0.04 2.02 1.81 3h41A1 GLN 126 HG2 -0.12 -0.00 -0.24 -0.04 2.40 2.00 3h41A1 GLN 126 HG3 -0.16 -0.03 -0.22 -0.04 2.39 1.93 3h41A1 GLN 126 HE21 -0.14 0.38 0.17 -0.04 6.97 7.34 3h41A1 GLN 126 HE22 -0.14 0.42 -0.28 -0.04 7.69 7.65 3h41A1 LEU 127 H -0.06 0.48 -0.21 -0.55 8.37 8.03 3h41A1 LEU 127 HA -0.03 0.19 0.81 -0.75 4.35 4.56 3h41A1 LEU 127 HB2 -0.03 0.13 0.08 -0.04 1.64 1.77 3h41A1 LEU 127 HB3 -0.01 -0.03 0.00 -0.04 1.64 1.56 3h41A1 LEU 127 HG -0.05 -0.01 -0.22 -0.04 1.64 1.33 3h41A1 LEU 127 HD13 -0.04 -0.02 -0.14 -0.04 0.93 0.69 3h41A1 LEU 127 HD23 -0.05 -0.00 -0.31 -0.04 0.89 0.49 3h41A1 THR 128 H 0.03 0.58 0.32 -0.55 8.28 8.67 3h41A1 THR 128 HA 0.03 0.14 0.49 -0.75 4.39 4.30 3h41A1 THR 128 HB -0.04 0.08 -0.20 -0.04 4.32 4.12 3h41A1 THR 128 HG23 -0.09 -0.00 -0.42 -0.04 1.22 0.66 3h41A1 TYR 129 H 0.12 0.27 0.13 -0.55 8.29 8.26 3h41A1 TYR 129 HA 0.23 0.11 0.47 -0.75 4.56 4.61 3h41A1 TYR 129 HB2 0.08 0.15 0.03 -0.04 3.06 3.27 3h41A1 TYR 129 HB3 0.05 -0.05 0.09 -0.04 2.98 3.03 3h41A1 TYR 129 HD2 0.12 0.04 -0.20 -0.04 7.15 7.07 3h41A1 TYR 129 HE2 0.13 -0.04 -0.08 -0.04 6.85 6.82 3h41A1 ASN 130 H -0.43 0.28 0.09 -0.55 8.53 7.93 3h41A1 ASN 130 HA -0.02 0.13 0.70 -0.75 4.76 4.82 3h41A1 ASN 130 HB2 -0.08 0.15 -0.16 -0.04 2.88 2.75 3h41A1 ASN 130 HB3 -0.14 0.08 0.06 -0.04 2.79 2.75 3h41A1 ASN 130 HD21 -0.00 0.00 0.03 -0.04 7.03 7.02 3h41A1 ASN 130 HD22 -0.01 0.14 0.00 -0.04 7.74 7.83 3h41A1 GLN 131 H 0.04 0.22 0.10 -0.55 8.47 8.28 3h41A1 GLN 131 HA -0.06 0.11 0.38 -0.75 4.36 4.04 3h41A1 GLN 131 HB2 0.17 0.04 0.11 -0.04 2.15 2.44 3h41A1 GLN 131 HB3 0.06 -0.01 0.08 -0.04 2.02 2.10 3h41A1 GLN 131 HG2 0.09 0.03 -0.01 -0.04 2.40 2.46 3h41A1 GLN 131 HG3 0.05 0.01 -0.14 -0.04 2.39 2.27 3h41A1 GLN 131 HE21 0.17 0.05 -0.02 -0.04 6.97 7.12 3h41A1 GLN 131 HE22 0.08 -0.00 0.00 -0.04 7.69 7.72 3h41A1 GLU 132 H -0.01 0.09 -0.10 -0.55 8.60 8.02 3h41A1 GLU 132 HA -0.02 0.10 0.45 -0.75 4.29 4.07 3h41A1 GLU 132 HB2 -0.00 -0.00 0.08 -0.04 2.09 2.12 3h41A1 GLU 132 HB3 -0.00 -0.02 0.04 -0.04 1.99 1.96 3h41A1 GLU 132 HG2 -0.02 0.05 -0.31 -0.04 2.34 2.02 3h41A1 GLU 132 HG3 -0.02 0.00 -0.00 -0.04 2.34 2.28 3h41A1 PHE 133 H 0.01 0.04 -0.25 -0.55 8.34 7.58 3h41A1 PHE 133 HA -0.18 0.10 0.42 -0.75 4.62 4.21 3h41A1 PHE 133 HB2 -0.23 -0.00 0.01 -0.04 3.15 2.89 3h41A1 PHE 133 HB3 -0.45 0.03 0.09 -0.04 3.06 2.69 3h41A1 PHE 133 HD2 -0.76 -0.01 -0.35 -0.04 7.28 6.13 3h41A1 PHE 133 HE2 -0.36 0.17 -0.02 -0.04 7.38 7.14 3h41A1 PHE 133 HZ -0.13 0.15 0.09 -0.04 7.32 7.38 3h41A1 ALA 134 H -0.23 0.63 -0.02 -0.55 8.40 8.23 3h41A1 ALA 134 HA -0.20 0.05 0.45 -0.75 4.34 3.88 3h41A1 ALA 134 HB3 -0.08 -0.01 0.09 -0.04 1.41 1.37 3h41A1 ASP 135 H -0.08 0.62 -0.19 -0.55 8.40 8.20 3h41A1 ASP 135 HA -0.01 0.01 0.46 -0.75 4.63 4.33 3h41A1 ASP 135 HB2 -0.04 0.10 0.14 -0.04 2.71 2.87 3h41A1 ASP 135 HB3 -0.02 -0.06 0.06 -0.04 2.70 2.64 3h41A1 LYS 136 H -0.21 0.40 -0.39 -0.55 8.42 7.67 3h41A1 LYS 136 HA -0.10 0.11 0.75 -0.75 4.32 4.33 3h41A1 LYS 136 HB2 -0.27 0.08 0.14 -0.04 1.87 1.77 3h41A1 LYS 136 HB3 -0.17 -0.03 0.16 -0.04 1.79 1.72 3h41A1 LYS 136 HG2 -0.07 -0.02 -0.01 -0.04 1.46 1.31 3h41A1 LYS 136 HG3 -0.08 0.04 -0.06 -0.04 1.46 1.31 3h41A1 LYS 136 HD2 -0.06 -0.05 -0.13 -0.04 1.69 1.41 3h41A1 LYS 136 HD3 -0.08 0.01 -0.06 -0.04 1.68 1.52 3h41A1 LYS 136 HE2 -0.03 -0.04 -0.04 -0.04 2.99 2.83 3h41A1 LYS 136 HE3 -0.02 -0.05 -0.06 -0.04 2.99 2.82 3h41A1 THR 137 H -0.19 0.33 -0.33 -0.55 8.28 7.54 3h41A1 THR 137 HA -0.32 0.00 0.30 -0.75 4.39 3.61 3h41A1 THR 137 HB 0.00 0.00 0.08 -0.04 4.32 4.36 3h41A1 THR 137 HG23 -0.15 0.02 0.13 -0.04 1.22 1.18 3h41A1 ASN 138 H -0.04 0.13 -0.37 -0.55 8.53 7.71 3h41A1 ASN 138 HA 0.05 0.20 0.87 -0.75 4.76 5.12 3h41A1 ASN 138 HB2 0.01 0.01 0.05 -0.04 2.88 2.91 3h41A1 ASN 138 HB3 0.02 -0.02 0.17 -0.04 2.79 2.92 3h41A1 ASN 138 HD21 0.05 -0.03 -0.02 -0.04 7.03 6.98 3h41A1 ASN 138 HD22 0.05 0.04 0.06 -0.04 7.74 7.85 3h41A1 GLU 139 H -0.02 0.38 -0.30 -0.55 8.60 8.11 3h41A1 GLU 139 HA -0.00 0.07 0.71 -0.75 4.29 4.32 3h41A1 GLU 139 HB2 -0.05 0.16 0.17 -0.04 2.09 2.33 3h41A1 GLU 139 HB3 -0.03 0.04 0.18 -0.04 1.99 2.14 3h41A1 GLU 139 HG2 -0.02 -0.02 0.03 -0.04 2.34 2.29 3h41A1 GLU 139 HG3 -0.04 -0.07 -0.00 -0.04 2.34 2.19 3h41A1 PRO 140 HA -0.12 0.24 0.62 -0.51 4.44 4.68 3h41A1 PRO 140 HB2 -0.07 -0.05 0.03 -0.04 2.28 2.15 3h41A1 PRO 140 HB3 0.02 -0.02 -0.00 -0.04 2.02 1.97 3h41A1 PRO 140 HG2 -0.02 -0.03 0.09 -0.04 2.03 2.03 3h41A1 PRO 140 HG3 -0.01 0.02 0.14 -0.04 2.03 2.15 3h41A1 PRO 140 HD2 -0.03 0.06 0.25 -0.04 3.68 3.92 3h41A1 PRO 140 HD3 -0.01 0.12 0.26 -0.04 3.65 3.98 3h41A1 PHE 141 H -0.36 0.64 0.33 -0.55 8.34 8.40 3h41A1 PHE 141 HA -0.03 0.02 0.94 -0.75 4.62 4.80 3h41A1 PHE 141 HB2 -0.00 0.01 -0.20 -0.04 3.15 2.91 3h41A1 PHE 141 HB3 -0.03 0.13 -0.36 -0.04 3.06 2.76 3h41A1 PHE 141 HD2 0.03 0.11 -0.49 -0.04 7.28 6.90 3h41A1 PHE 141 HE2 0.08 -0.09 -0.17 -0.04 7.38 7.16 3h41A1 PHE 141 HZ -0.03 0.00 -0.35 -0.04 7.32 6.91 3h41A1 VAL 142 H 0.16 0.69 0.24 -0.55 8.24 8.78 3h41A1 VAL 142 HA -0.04 0.16 0.86 -0.75 4.13 4.36 3h41A1 VAL 142 HB 0.02 0.01 0.00 -0.04 2.12 2.11 3h41A1 VAL 142 HG13 -0.11 -0.02 -0.32 -0.04 0.97 0.48 3h41A1 VAL 142 HG23 -0.25 -0.03 -0.18 -0.04 0.95 0.46 3h41A1 LEU 143 H 0.07 0.75 0.34 -0.55 8.37 8.98 3h41A1 LEU 143 HA 0.08 0.37 0.92 -0.75 4.35 4.96 3h41A1 LEU 143 HB2 0.52 -0.03 -0.05 -0.04 1.64 2.04 3h41A1 LEU 143 HB3 0.25 -0.06 0.08 -0.04 1.64 1.87 3h41A1 LEU 143 HG -0.08 0.02 -0.03 -0.04 1.64 1.51 3h41A1 LEU 143 HD13 -0.01 0.00 -0.05 -0.04 0.93 0.83 3h41A1 LEU 143 HD23 -0.09 -0.01 -0.18 -0.04 0.89 0.57 3h41A1 VAL 144 H -0.03 0.59 0.20 -0.55 8.24 8.45 3h41A1 VAL 144 HA 0.04 0.09 0.62 -0.75 4.13 4.12 3h41A1 VAL 144 HB -0.02 -0.00 0.18 -0.04 2.12 2.24 3h41A1 VAL 144 HG13 0.06 0.02 -0.29 -0.04 0.97 0.73 3h41A1 VAL 144 HG23 0.02 0.01 -0.14 -0.04 0.95 0.80 3h41A1 THR 145 H 0.09 0.48 0.23 -0.55 8.28 8.53 3h41A1 THR 145 HA 0.15 0.19 0.74 -0.75 4.39 4.72 3h41A1 THR 145 HB 0.16 0.00 0.02 -0.04 4.32 4.46 3h41A1 THR 145 HG23 0.05 0.05 -0.23 -0.04 1.22 1.05 3h41A1 LYS 146 H 0.14 0.08 0.02 -0.55 8.42 8.12 3h41A1 LYS 146 HA 0.05 0.25 0.82 -0.75 4.32 4.69 3h41A1 LYS 146 HB2 0.07 -0.03 0.00 -0.04 1.87 1.86 3h41A1 LYS 146 HB3 0.02 0.02 0.12 -0.04 1.79 1.92 3h41A1 LYS 146 HG2 0.07 -0.01 -0.09 -0.04 1.46 1.40 3h41A1 LYS 146 HG3 0.05 -0.10 0.03 -0.04 1.46 1.40 3h41A1 LYS 146 HD2 0.00 -0.04 0.08 -0.04 1.69 1.69 3h41A1 LYS 146 HD3 0.02 0.12 0.09 -0.04 1.68 1.86 3h41A1 LYS 146 HE2 0.03 -0.11 -0.01 -0.04 2.99 2.86 3h41A1 LYS 146 HE3 0.02 -0.05 0.02 -0.04 2.99 2.93 3h41A1 PRO 147 HA 0.10 0.05 0.32 -0.51 4.44 4.40 3h41A1 PRO 147 HB2 0.01 -0.09 0.12 -0.04 2.28 2.27 3h41A1 PRO 147 HB3 -0.05 0.09 0.12 -0.04 2.02 2.14 3h41A1 PRO 147 HG2 -0.20 0.03 0.09 -0.04 2.03 1.90 3h41A1 PRO 147 HG3 -0.68 0.18 0.09 -0.04 2.03 1.58 3h41A1 PRO 147 HD2 -0.06 0.05 0.20 -0.04 3.68 3.83 3h41A1 PRO 147 HD3 -0.16 0.18 0.22 -0.04 3.65 3.85 3h41A1 THR 148 H 0.04 0.20 0.03 -0.55 8.28 8.00 3h41A1 THR 148 HA -0.01 0.19 0.38 -0.75 4.39 4.20 3h41A1 THR 148 HB -0.09 0.02 0.04 -0.04 4.32 4.24 3h41A1 THR 148 HG23 -0.51 -0.02 -0.23 -0.04 1.22 0.42 3h41A1 ALA 149 H 0.01 0.63 0.30 -0.55 8.40 8.79 3h41A1 ALA 149 HA 0.02 0.09 0.60 -0.75 4.34 4.30 3h41A1 ALA 149 HB3 0.02 0.02 -0.07 -0.04 1.41 1.34 3h41A1 ILE 150 H -0.07 0.14 0.16 -0.55 8.25 7.93 3h41A1 ILE 150 HA -0.18 0.20 0.92 -0.75 4.18 4.37 3h41A1 ILE 150 HB -0.29 -0.03 0.11 -0.04 1.89 1.63 3h41A1 ILE 150 HG12 -0.02 -0.03 -0.02 -0.04 1.49 1.37 3h41A1 ILE 150 HG13 -0.02 0.02 -0.03 -0.04 1.21 1.14 3h41A1 ILE 150 HG23 -0.62 -0.01 -0.19 -0.04 0.93 0.08 3h41A1 ILE 150 HD13 0.01 0.01 -0.17 -0.04 0.88 0.69 3h41A1 LEU 151 H -0.27 0.76 0.39 -0.55 8.37 8.70 3h41A1 LEU 151 HA -0.38 0.26 0.84 -0.75 4.35 4.32 3h41A1 LEU 151 HB2 -0.15 0.02 0.13 -0.04 1.64 1.60 3h41A1 LEU 151 HB3 -0.14 -0.04 -0.19 -0.04 1.64 1.23 3h41A1 LEU 151 HG -0.07 0.01 -0.17 -0.04 1.64 1.36 3h41A1 LEU 151 HD13 -0.02 -0.00 -0.21 -0.04 0.93 0.66 3h41A1 LEU 151 HD23 -0.02 0.01 -0.29 -0.04 0.89 0.56 3h41A1 TYR 152 H -0.56 0.71 0.31 -0.55 8.29 8.20 3h41A1 TYR 152 HA -0.20 0.14 0.93 -0.75 4.56 4.67 3h41A1 TYR 152 HB2 -1.45 -0.06 0.10 -0.04 3.06 1.61 3h41A1 TYR 152 HB3 -0.21 0.08 -0.04 -0.04 2.98 2.77 3h41A1 TYR 152 HD2 -1.17 0.07 -0.05 -0.04 7.15 5.96 3h41A1 TYR 152 HE2 -0.32 -0.03 -0.04 -0.04 6.85 6.42 3h41A1 ILE 153 H 0.03 0.57 0.21 -0.55 8.25 8.51 3h41A1 ILE 153 HA 0.06 0.12 0.58 -0.75 4.18 4.19 3h41A1 ILE 153 HB 0.04 -0.06 0.04 -0.04 1.89 1.86 3h41A1 ILE 153 HG12 -0.01 0.00 -0.26 -0.04 1.49 1.17 3h41A1 ILE 153 HG13 -0.02 0.02 -0.33 -0.04 1.21 0.84 3h41A1 ILE 153 HG23 0.02 0.03 -0.12 -0.04 0.93 0.82 3h41A1 ILE 153 HD13 -0.02 -0.02 -0.16 -0.04 0.88 0.64 3h41A1 ASN 154 H 0.15 0.64 0.19 -0.55 8.53 8.96 3h41A1 ASN 154 HA 0.14 -0.10 0.55 -0.75 4.76 4.60 3h41A1 ASN 154 HB2 0.42 0.06 -0.37 -0.04 2.88 2.94 3h41A1 ASN 154 HB3 0.37 -0.01 -0.03 -0.04 2.79 3.07 3h41A1 ASN 154 HD21 0.14 -0.03 -0.05 -0.04 7.03 7.06 3h41A1 ASN 154 HD22 0.34 0.01 -0.09 -0.04 7.74 7.97 3h41A1 PRO 155 HA 0.06 0.06 0.35 -0.51 4.44 4.40 3h41A1 PRO 155 HB2 0.00 -0.00 -0.12 -0.04 2.28 2.12 3h41A1 PRO 155 HB3 0.02 0.04 0.05 -0.04 2.02 2.10 3h41A1 PRO 155 HG2 0.02 0.00 0.09 -0.04 2.03 2.10 3h41A1 PRO 155 HG3 0.02 0.04 0.07 -0.04 2.03 2.13 3h41A1 PRO 155 HD2 0.05 0.10 0.41 -0.04 3.68 4.20 3h41A1 PRO 155 HD3 0.05 0.09 0.16 -0.04 3.65 3.91 3h41A1 SER 156 H -0.06 0.28 0.07 -0.55 8.46 8.20 3h41A1 SER 156 HA -0.03 0.13 0.73 -0.75 4.49 4.56 3h41A1 SER 156 HB2 0.01 0.13 -0.21 -0.04 3.95 3.84 3h41A1 SER 156 HB3 -0.01 0.20 0.06 -0.04 3.93 4.14 3h41A1 GLU 157 H -0.06 0.21 0.12 -0.55 8.60 8.32 3h41A1 GLU 157 HA -0.11 0.09 0.35 -0.75 4.29 3.87 3h41A1 GLU 157 HB2 -0.04 -0.01 0.14 -0.04 2.09 2.14 3h41A1 GLU 157 HB3 -0.04 0.06 0.06 -0.04 1.99 2.03 3h41A1 GLU 157 HG2 -0.03 0.04 0.04 -0.04 2.34 2.35 3h41A1 GLU 157 HG3 -0.04 -0.07 0.03 -0.04 2.34 2.22 3h41A1 LYS 158 H -0.07 0.00 -0.22 -0.55 8.42 7.58 3h41A1 LYS 158 HA -0.01 0.26 0.84 -0.75 4.32 4.66 3h41A1 LYS 158 HB2 -0.00 -0.05 0.03 -0.04 1.87 1.81 3h41A1 LYS 158 HB3 0.02 0.06 0.14 -0.04 1.79 1.97 3h41A1 LYS 158 HG2 0.01 0.06 -0.05 -0.04 1.46 1.44 3h41A1 LYS 158 HG3 -0.01 -0.11 -0.20 -0.04 1.46 1.09 3h41A1 LYS 158 HD2 -0.00 -0.02 -0.01 -0.04 1.69 1.62 3h41A1 LYS 158 HD3 0.01 0.03 0.00 -0.04 1.68 1.68 3h41A1 LYS 158 HE2 -0.00 0.02 -0.00 -0.04 2.99 2.96 3h41A1 LYS 158 HE3 0.00 0.02 -0.01 -0.04 2.99 2.96 3h41A1 HIS 159 H -0.32 0.43 -0.37 -0.55 8.41 7.61 3h41A1 HIS 159 HA 0.06 0.09 0.35 -0.75 4.63 4.37 3h41A1 HIS 159 HB2 0.04 0.07 -0.09 -0.04 3.26 3.25 3h41A1 HIS 159 HB3 0.06 -0.01 0.16 -0.04 3.20 3.37 3h41A1 HIS 159 HD2 0.03 -0.00 -0.10 -0.04 6.97 6.85 3h41A1 HIS 159 HE1 0.05 -0.05 0.02 -0.04 7.75 7.72 3h41A1 LYS 160 H 0.03 -0.11 -0.17 -0.55 8.42 7.61 3h41A1 LYS 160 HA 0.05 0.17 0.60 -0.75 4.32 4.38 3h41A1 LYS 160 HB2 0.01 -0.07 0.02 -0.04 1.87 1.78 3h41A1 LYS 160 HB3 0.00 0.09 0.10 -0.04 1.79 1.94 3h41A1 LYS 160 HG2 0.02 0.12 -0.05 -0.04 1.46 1.50 3h41A1 LYS 160 HG3 0.00 -0.22 -0.12 -0.04 1.46 1.09 3h41A1 LYS 160 HD2 -0.01 -0.04 -0.01 -0.04 1.69 1.59 3h41A1 LYS 160 HD3 -0.01 0.08 0.02 -0.04 1.68 1.72 3h41A1 LYS 160 HE2 -0.00 0.06 0.00 -0.04 2.99 3.01 3h41A1 LYS 160 HE3 -0.01 -0.12 -0.01 -0.04 2.99 2.81 3h41A1 SER 161 H 0.01 0.30 0.28 -0.55 8.46 8.50 3h41A1 SER 161 HA -0.09 0.09 0.76 -0.75 4.49 4.50 3h41A1 SER 161 HB2 -0.24 0.06 0.14 -0.04 3.95 3.87 3h41A1 SER 161 HB3 0.04 0.05 -0.05 -0.04 3.93 3.92 3h41A1 LEU 162 H -0.19 0.68 0.32 -0.55 8.37 8.63 3h41A1 LEU 162 HA -0.03 0.10 0.82 -0.75 4.35 4.48 3h41A1 LEU 162 HB2 -0.05 0.03 -0.19 -0.04 1.64 1.39 3h41A1 LEU 162 HB3 -0.07 -0.03 0.00 -0.04 1.64 1.50 3h41A1 LEU 162 HG -0.01 0.06 -0.37 -0.04 1.64 1.28 3h41A1 LEU 162 HD13 -0.03 -0.04 0.13 -0.04 0.93 0.94 3h41A1 LEU 162 HD23 -0.04 -0.01 -0.15 -0.04 0.89 0.65 3h41A1 GLU 163 H 0.04 0.15 0.16 -0.55 8.60 8.40 3h41A1 GLU 163 HA 0.02 0.22 0.91 -0.75 4.29 4.68 3h41A1 GLU 163 HB2 0.15 -0.02 0.08 -0.04 2.09 2.25 3h41A1 GLU 163 HB3 0.26 -0.06 0.17 -0.04 1.99 2.31 3h41A1 GLU 163 HG2 0.20 0.05 -0.28 -0.04 2.34 2.27 3h41A1 GLU 163 HG3 0.13 0.02 -0.12 -0.04 2.34 2.33 3h41A1 VAL 164 H 0.02 0.78 0.40 -0.55 8.24 8.90 3h41A1 VAL 164 HA 0.13 0.11 0.90 -0.75 4.13 4.52 3h41A1 VAL 164 HB 0.03 0.09 0.03 -0.04 2.12 2.23 3h41A1 VAL 164 HG13 -0.00 -0.01 -0.22 -0.04 0.97 0.70 3h41A1 VAL 164 HG23 -0.00 0.02 -0.12 -0.04 0.95 0.81 3h41A1 SER 165 H 0.10 0.14 0.19 -0.55 8.46 8.35 3h41A1 SER 165 HA -0.08 0.16 0.75 -0.75 4.49 4.56 3h41A1 SER 165 HB2 0.08 -0.14 0.13 -0.04 3.95 3.98 3h41A1 SER 165 HB3 0.08 0.05 0.17 -0.04 3.93 4.19 3h41A1 TYR 166 H 0.22 0.59 0.19 -0.55 8.29 8.73 3h41A1 TYR 166 HA 0.10 0.13 0.39 -0.75 4.56 4.42 3h41A1 TYR 166 HB2 0.29 0.07 -0.01 -0.04 3.06 3.36 3h41A1 TYR 166 HB3 0.37 -0.17 0.05 -0.04 2.98 3.19 3h41A1 TYR 166 HD2 0.18 -0.09 -0.36 -0.04 7.15 6.84 3h41A1 TYR 166 HE2 0.06 0.04 -0.10 -0.04 6.85 6.81 3h41A1 ASN 167 H -0.49 0.65 0.32 -0.55 8.53 8.46 3h41A1 ASN 167 HA -0.37 0.04 0.32 -0.75 4.76 4.00 3h41A1 ASN 167 HB2 -0.13 -0.04 -0.33 -0.04 2.88 2.34 3h41A1 ASN 167 HB3 0.01 0.13 0.12 -0.04 2.79 3.01 3h41A1 ASN 167 HD21 -0.05 -0.03 -0.00 -0.04 7.03 6.91 3h41A1 ASN 167 HD22 0.03 0.01 0.01 -0.04 7.74 7.75 3h41A1 THR 168 H -0.05 0.41 -0.25 -0.55 8.28 7.83 3h41A1 THR 168 HA -0.03 0.09 0.63 -0.75 4.39 4.32 3h41A1 THR 168 HB -0.00 -0.08 0.08 -0.04 4.32 4.27 3h41A1 THR 168 HG23 0.01 0.02 -0.16 -0.04 1.22 1.05 3h41A1 ARG 169 H -0.07 0.28 0.17 -0.55 8.46 8.28 3h41A1 ARG 169 HA -0.08 0.39 1.01 -0.75 4.34 4.90 3h41A1 ARG 169 HB2 -0.37 -0.02 0.08 -0.04 1.90 1.55 3h41A1 ARG 169 HB3 -0.93 -0.02 -0.10 -0.04 1.80 0.71 3h41A1 ARG 169 HG2 -1.00 -0.05 -0.13 -0.04 1.67 0.45 3h41A1 ARG 169 HG3 -0.25 0.04 -0.32 -0.04 1.67 1.09 3h41A1 ARG 169 HD2 -0.17 0.05 0.02 -0.04 3.22 3.08 3h41A1 ARG 169 HD3 -0.29 -0.07 -0.01 -0.04 3.22 2.81 3h41A1 LEU 170 H 0.05 0.49 0.20 -0.55 8.37 8.57 3h41A1 LEU 170 HA 0.10 0.24 0.81 -0.75 4.35 4.74 3h41A1 LEU 170 HB2 0.07 -0.12 -0.09 -0.04 1.64 1.46 3h41A1 LEU 170 HB3 0.12 0.19 -0.03 -0.04 1.64 1.88 3h41A1 LEU 170 HG 0.05 -0.04 -0.65 -0.04 1.64 0.96 3h41A1 LEU 170 HD13 0.04 -0.04 -0.27 -0.04 0.93 0.61 3h41A1 LEU 170 HD23 0.13 0.04 -0.04 -0.04 0.89 0.99 3h41A1 PRO 171 HA 0.05 0.24 0.46 -0.51 4.44 4.68 3h41A1 PRO 171 HB2 -0.07 -0.14 0.01 -0.04 2.28 2.04 3h41A1 PRO 171 HB3 -0.11 0.16 0.08 -0.04 2.02 2.12 3h41A1 PRO 171 HG2 -0.48 -0.07 0.01 -0.04 2.03 1.46 3h41A1 PRO 171 HG3 -0.42 0.16 -0.05 -0.04 2.03 1.68 3h41A1 PRO 171 HD2 0.10 0.29 0.23 -0.04 3.68 4.26 3h41A1 PRO 171 HD3 -0.17 0.18 0.16 -0.04 3.65 3.78 3h41A1 LEU 172 H 0.00 0.63 0.32 -0.55 8.37 8.77 3h41A1 LEU 172 HA -0.01 0.09 0.60 -0.75 4.35 4.28 3h41A1 LEU 172 HB2 -0.12 -0.06 -0.15 -0.04 1.64 1.28 3h41A1 LEU 172 HB3 -0.13 0.07 -0.05 -0.04 1.64 1.49 3h41A1 LEU 172 HG -0.15 -0.03 -0.39 -0.04 1.64 1.02 3h41A1 LEU 172 HD13 -0.06 0.03 -0.05 -0.04 0.93 0.81 3h41A1 LEU 172 HD23 -0.68 -0.02 -0.17 -0.04 0.89 -0.02 3h41A1 LEU 173 H 0.02 0.78 0.40 -0.55 8.37 9.02 3h41A1 LEU 173 HA -0.02 0.20 0.93 -0.75 4.35 4.70 3h41A1 LEU 173 HB2 0.03 -0.05 -0.10 -0.04 1.64 1.48 3h41A1 LEU 173 HB3 0.01 -0.05 -0.04 -0.04 1.64 1.51 3h41A1 LEU 173 HG 0.02 0.05 -0.27 -0.04 1.64 1.40 3h41A1 LEU 173 HD13 0.04 -0.01 -0.26 -0.04 0.93 0.66 3h41A1 LEU 173 HD23 -0.00 0.02 -0.14 -0.04 0.89 0.73 3h41A1 SER 174 H 0.02 0.38 0.32 -0.55 8.46 8.63 3h41A1 SER 174 HA -0.04 0.12 0.47 -0.75 4.49 4.29 3h41A1 SER 174 HB2 -0.02 -0.02 0.10 -0.04 3.95 3.97 3h41A1 SER 174 HB3 -0.02 0.20 -0.09 -0.04 3.93 3.98 3h41A1 GLU 175 H -0.02 0.30 0.19 -0.55 8.60 8.52 3h41A1 GLU 175 HA 0.03 0.18 0.96 -0.75 4.29 4.70 3h41A1 GLU 175 HB2 0.06 0.00 -0.08 -0.04 2.09 2.04 3h41A1 GLU 175 HB3 -0.01 -0.04 0.09 -0.04 1.99 1.99 3h41A1 GLU 175 HG2 -0.03 0.11 -0.13 -0.04 2.34 2.24 3h41A1 GLU 175 HG3 -0.09 0.08 0.10 -0.04 2.34 2.39 3h41A1 ASP 176 H -0.08 0.39 0.22 -0.55 8.40 8.37 3h41A1 ASP 176 HA -0.06 0.25 0.77 -0.75 4.63 4.84 3h41A1 ASP 176 HB2 -0.09 -0.09 0.23 -0.04 2.71 2.73 3h41A1 ASP 176 HB3 -0.09 0.09 0.01 -0.04 2.70 2.67 3h41A1 THR 177 H -0.07 0.14 0.16 -0.55 8.28 7.96 3h41A1 THR 177 HA -0.05 0.17 0.37 -0.75 4.39 4.12 3h41A1 THR 177 HB -0.04 0.05 0.09 -0.04 4.32 4.37 3h41A1 THR 177 HG23 -0.04 0.01 0.05 -0.04 1.22 1.20 3h41A1 ILE 178 H -0.11 -0.03 -0.17 -0.55 8.25 7.39 3h41A1 ILE 178 HA -0.05 0.31 1.11 -0.75 4.18 4.79 3h41A1 ILE 178 HB -0.02 -0.01 0.14 -0.04 1.89 1.96 3h41A1 ILE 178 HG12 -0.16 -0.06 -0.00 -0.04 1.49 1.22 3h41A1 ILE 178 HG13 -0.21 0.04 -0.18 -0.04 1.21 0.81 3h41A1 ILE 178 HG23 -0.05 0.00 -0.10 -0.04 0.93 0.74 3h41A1 ILE 178 HD13 -0.19 0.01 -0.05 -0.04 0.88 0.60 3h41A1 SER 179 H -0.14 0.17 -0.06 -0.55 8.46 7.88 3h41A1 SER 179 HA 0.00 0.17 1.02 -0.75 4.49 4.93 3h41A1 SER 179 HB2 0.36 0.17 -0.05 -0.04 3.95 4.39 3h41A1 SER 179 HB3 -0.00 -0.02 -0.38 -0.04 3.93 3.49 3h41A1 TYR 180 H 0.21 0.55 0.26 -0.55 8.29 8.77 3h41A1 TYR 180 HA 0.05 0.19 1.02 -0.75 4.56 5.07 3h41A1 TYR 180 HB2 0.12 -0.05 -0.01 -0.04 3.06 3.08 3h41A1 TYR 180 HB3 0.06 0.10 -0.01 -0.04 2.98 3.08 3h41A1 TYR 180 HD2 0.06 0.03 -0.10 -0.04 7.15 7.09 3h41A1 TYR 180 HE2 0.17 0.12 -0.13 -0.04 6.85 6.97 3h41A1 ARG 181 H 0.15 0.75 0.31 -0.55 8.46 9.12 3h41A1 ARG 181 HA 0.24 0.29 1.09 -0.75 4.34 5.22 3h41A1 ARG 181 HB2 0.09 -0.07 -0.03 -0.04 1.90 1.84 3h41A1 ARG 181 HB3 0.07 -0.13 0.12 -0.04 1.80 1.82 3h41A1 ARG 181 HG2 0.09 -0.00 -0.08 -0.04 1.67 1.63 3h41A1 ARG 181 HG3 0.16 0.16 0.07 -0.04 1.67 2.02 3h41A1 ARG 181 HD2 0.03 -0.07 -0.09 -0.04 3.22 3.05 3h41A1 ARG 181 HD3 0.04 -0.02 -0.09 -0.04 3.22 3.10 3h41A1 VAL 182 H 0.15 0.76 0.36 -0.55 8.24 8.96 3h41A1 VAL 182 HA 0.07 0.25 1.07 -0.75 4.13 4.76 3h41A1 VAL 182 HB 0.08 0.11 -0.19 -0.04 2.12 2.08 3h41A1 VAL 182 HG13 0.09 -0.02 -0.41 -0.04 0.97 0.59 3h41A1 VAL 182 HG23 0.09 -0.02 -0.36 -0.04 0.95 0.62 3h41A1 LEU 183 H 0.07 0.54 0.14 -0.55 8.37 8.57 3h41A1 LEU 183 HA 0.07 0.16 0.88 -0.75 4.35 4.70 3h41A1 LEU 183 HB2 0.04 -0.03 -0.05 -0.04 1.64 1.57 3h41A1 LEU 183 HB3 0.08 0.03 0.08 -0.04 1.64 1.79 3h41A1 LEU 183 HG 0.19 0.15 -0.19 -0.04 1.64 1.75 3h41A1 LEU 183 HD13 0.04 0.02 -0.15 -0.04 0.93 0.81 3h41A1 LEU 183 HD23 0.03 -0.05 -0.18 -0.04 0.89 0.65 3h41A1 LEU 184 H 0.04 0.70 0.17 -0.55 8.37 8.74 3h41A1 LEU 184 HA -0.02 0.21 0.59 -0.75 4.35 4.38 3h41A1 LEU 184 HB2 -0.04 -0.12 -0.03 -0.04 1.64 1.40 3h41A1 LEU 184 HB3 -0.09 -0.02 -0.02 -0.04 1.64 1.47 3h41A1 LEU 184 HG 0.02 0.06 -0.32 -0.04 1.64 1.35 3h41A1 LEU 184 HD13 -0.02 -0.02 -0.25 -0.04 0.93 0.60 3h41A1 LEU 184 HD23 -0.01 0.02 -0.25 -0.04 0.89 0.61 3h41A1 PRO 185 HA -1.88 0.09 0.30 -0.51 4.44 2.44 3h41A1 PRO 185 HB2 -0.39 0.02 -0.19 -0.04 2.28 1.68 3h41A1 PRO 185 HB3 -0.94 0.07 0.03 -0.04 2.02 1.13 3h41A1 PRO 185 HG2 -0.25 0.05 0.08 -0.04 2.03 1.87 3h41A1 PRO 185 HG3 -0.36 0.07 0.12 -0.04 2.03 1.81 3h41A1 PRO 185 HD2 -0.20 0.04 0.12 -0.04 3.68 3.61 3h41A1 PRO 185 HD3 -0.28 0.27 0.11 -0.04 3.65 3.71 3h41A1 ASN 186 H -0.20 0.09 -0.39 -0.55 8.53 7.49 3h41A1 ASN 186 HA -0.12 0.18 0.68 -0.75 4.76 4.75 3h41A1 ASN 186 HB2 -0.06 0.03 0.12 -0.04 2.88 2.94 3h41A1 ASN 186 HB3 -0.09 0.07 0.01 -0.04 2.79 2.74 3h41A1 ASN 186 HD21 -0.04 -0.02 -0.06 -0.04 7.03 6.87 3h41A1 ASN 186 HD22 -0.05 0.06 -0.02 -0.04 7.74 7.70 3h41A1 GLY 187 H -0.11 0.61 -0.42 -0.55 8.43 7.96 3h41A1 GLY 187 HA2 0.00 0.00 0.26 -0.51 4.01 3.77 3h41A1 GLY 187 HA3 -0.02 0.06 0.60 -0.51 4.01 4.14 3h41A1 GLN 188 H -0.03 -0.03 -0.38 -0.55 8.47 7.48 3h41A1 GLN 188 HA 0.01 0.13 0.63 -0.75 4.36 4.38 3h41A1 GLN 188 HB2 -0.01 -0.08 -0.05 -0.04 2.15 1.96 3h41A1 GLN 188 HB3 0.01 0.12 0.04 -0.04 2.02 2.15 3h41A1 GLN 188 HG2 -0.00 0.04 0.00 -0.04 2.40 2.39 3h41A1 GLN 188 HG3 -0.02 0.01 -0.09 -0.04 2.39 2.24 3h41A1 GLN 188 HE21 -0.01 -0.10 0.03 -0.04 6.97 6.85 3h41A1 GLN 188 HE22 -0.01 0.04 0.05 -0.04 7.69 7.73 3h41A1 LYS 189 H 0.04 0.18 0.14 -0.55 8.42 8.23 3h41A1 LYS 189 HA 0.06 0.28 0.96 -0.75 4.32 4.88 3h41A1 LYS 189 HB2 0.07 0.06 0.10 -0.04 1.87 2.05 3h41A1 LYS 189 HB3 0.08 0.03 0.10 -0.04 1.79 1.96 3h41A1 LYS 189 HG2 0.04 0.05 -0.11 -0.04 1.46 1.40 3h41A1 LYS 189 HG3 0.03 -0.03 -0.09 -0.04 1.46 1.33 3h41A1 LYS 189 HD2 0.03 -0.02 0.03 -0.04 1.69 1.69 3h41A1 LYS 189 HD3 0.04 0.00 -0.02 -0.04 1.68 1.65 3h41A1 LYS 189 HE2 0.02 -0.03 -0.03 -0.04 2.99 2.91 3h41A1 LYS 189 HE3 0.02 0.02 -0.06 -0.04 2.99 2.92 3h41A1 ALA 190 H 0.12 0.63 0.37 -0.55 8.40 8.97 3h41A1 ALA 190 HA 0.16 0.16 0.92 -0.75 4.34 4.83 3h41A1 ALA 190 HB3 0.03 -0.03 -0.31 -0.04 1.41 1.06 3h41A1 TRP 191 H 0.04 0.51 0.35 -0.55 7.97 8.31 3h41A1 TRP 191 HA 0.11 0.28 1.06 -0.75 4.62 5.32 3h41A1 TRP 191 HB2 0.09 0.05 0.03 -0.04 3.23 3.36 3h41A1 TRP 191 HB3 0.08 -0.01 -0.22 -0.04 3.23 3.04 3h41A1 TRP 191 HD1 0.10 0.04 -0.10 -0.04 7.22 7.22 3h41A1 TRP 191 HE1 0.04 0.01 -0.12 -0.04 10.20 10.08 3h41A1 TRP 191 HE3 0.11 0.13 -0.42 -0.04 7.59 7.36 3h41A1 TRP 191 HZ2 -0.30 0.01 -0.08 -0.04 7.44 7.03 3h41A1 TRP 191 HZ3 0.05 -0.02 -0.22 -0.04 7.13 6.90 3h41A1 TRP 191 HH2 -0.15 -0.00 -0.08 -0.04 7.19 6.92 3h41A1 LEU 192 H 0.44 0.54 0.33 -0.55 8.37 9.14 3h41A1 LEU 192 HA -0.07 0.17 0.76 -0.75 4.35 4.46 3h41A1 LEU 192 HB2 0.08 0.02 0.08 -0.04 1.64 1.77 3h41A1 LEU 192 HB3 0.01 0.02 -0.07 -0.04 1.64 1.56 3h41A1 LEU 192 HG 0.34 -0.04 -0.23 -0.04 1.64 1.66 3h41A1 LEU 192 HD13 0.13 -0.00 -0.29 -0.04 0.93 0.73 3h41A1 LEU 192 HD23 0.19 0.01 -0.18 -0.04 0.89 0.87 3h41A1 ARG 193 H 0.18 0.16 0.18 -0.55 8.46 8.43 3h41A1 ARG 193 HA 0.31 0.24 0.73 -0.75 4.34 4.86 3h41A1 ARG 193 HB2 0.15 -0.01 0.18 -0.04 1.90 2.18 3h41A1 ARG 193 HB3 0.13 -0.07 0.11 -0.04 1.80 1.94 3h41A1 ARG 193 HG2 0.37 -0.02 0.09 -0.04 1.67 2.07 3h41A1 ARG 193 HG3 0.18 0.02 0.08 -0.04 1.67 1.91 3h41A1 ARG 193 HD2 0.13 -0.01 0.09 -0.04 3.22 3.39 3h41A1 ARG 193 HD3 0.23 0.17 0.15 -0.04 3.22 3.73 3h41A1 LYS 194 H 0.00 0.65 0.27 -0.55 8.42 8.79 3h41A1 LYS 194 HA -0.24 0.07 0.34 -0.75 4.32 3.73 3h41A1 LYS 194 HB2 -0.09 0.02 -0.02 -0.04 1.87 1.74 3h41A1 LYS 194 HB3 -0.10 0.06 -0.13 -0.04 1.79 1.58 3h41A1 LYS 194 HG2 -0.98 0.01 -0.15 -0.04 1.46 0.30 3h41A1 LYS 194 HG3 -0.42 -0.14 -0.45 -0.04 1.46 0.41 3h41A1 LYS 194 HD2 -0.14 -0.01 -0.43 -0.04 1.69 1.07 3h41A1 LYS 194 HD3 -0.11 -0.00 -0.10 -0.04 1.68 1.42 3h41A1 LYS 194 HE2 -0.10 -0.05 -0.06 -0.04 2.99 2.74 3h41A1 LYS 194 HE3 -0.27 0.02 -0.06 -0.04 2.99 2.63 3h41A1 ASN 195 H 0.06 0.04 -0.23 -0.55 8.53 7.85 3h41A1 ASN 195 HA 0.07 0.17 0.54 -0.75 4.76 4.79 3h41A1 ASN 195 HB2 0.06 -0.07 0.02 -0.04 2.88 2.85 3h41A1 ASN 195 HB3 0.05 0.06 0.05 -0.04 2.79 2.90 3h41A1 ASN 195 HD21 0.03 0.00 0.02 -0.04 7.03 7.04 3h41A1 ASN 195 HD22 0.04 -0.02 0.02 -0.04 7.74 7.75 3h41A1 ASP 196 H 0.13 0.37 -0.44 -0.55 8.40 7.92 3h41A1 ASP 196 HA 0.09 0.18 0.73 -0.75 4.63 4.87 3h41A1 ASP 196 HB2 0.12 0.14 0.05 -0.04 2.71 2.98 3h41A1 ASP 196 HB3 0.08 -0.05 0.07 -0.04 2.70 2.76 3h41A1 GLY 197 H 0.21 0.44 -0.28 -0.55 8.43 8.26 3h41A1 GLY 197 HA2 0.08 0.14 0.83 -0.51 4.01 4.56 3h41A1 GLY 197 HA3 0.14 -0.04 0.15 -0.51 4.01 3.75 3h41A1 THR 198 H -0.06 0.59 0.32 -0.55 8.28 8.59 3h41A1 THR 198 HA -0.08 0.00 0.78 -0.75 4.39 4.34 3h41A1 THR 198 HB -0.22 0.00 0.03 -0.04 4.32 4.09 3h41A1 THR 198 HG23 -0.71 0.04 -0.09 -0.04 1.22 0.42 3h41A1 PHE 199 H -0.37 0.15 0.17 -0.55 8.34 7.73 3h41A1 PHE 199 HA -0.36 0.38 1.47 -0.75 4.62 5.35 3h41A1 PHE 199 HB2 -0.26 0.16 -0.00 -0.04 3.15 3.01 3h41A1 PHE 199 HB3 -0.50 -0.10 -0.08 -0.04 3.06 2.33 3h41A1 PHE 199 HD2 -0.10 0.01 -0.14 -0.04 7.28 7.01 3h41A1 PHE 199 HE2 -0.00 -0.01 -0.08 -0.04 7.38 7.24 3h41A1 PHE 199 HZ -0.02 -0.02 -0.05 -0.04 7.32 7.19 3h41A1 TYR 200 H -0.16 0.73 0.36 -0.55 8.29 8.67 3h41A1 TYR 200 HA -0.27 0.13 0.72 -0.75 4.56 4.38 3h41A1 TYR 200 HB2 -0.75 0.01 -0.12 -0.04 3.06 2.16 3h41A1 TYR 200 HB3 -0.32 -0.02 -0.10 -0.04 2.98 2.50 3h41A1 TYR 200 HD2 -0.04 -0.00 -0.06 -0.04 7.15 7.00 3h41A1 TYR 200 HE2 -0.05 0.00 -0.02 -0.04 6.85 6.74 3h41A1 ARG 201 H -0.04 0.21 0.11 -0.55 8.46 8.19 3h41A1 ARG 201 HA -0.06 0.04 0.46 -0.75 4.34 4.03 3h41A1 ARG 201 HB2 -0.02 0.00 0.07 -0.04 1.90 1.91 3h41A1 ARG 201 HB3 -0.01 0.02 0.06 -0.04 1.80 1.83 3h41A1 SER 202 H -0.16 0.23 -0.09 -0.55 8.46 7.89 3h41A1 SER 202 HA 0.16 0.25 0.34 -0.75 4.49 4.49 3h41A1 SER 202 HB2 0.09 -0.04 0.10 -0.04 3.95 4.06 3h41A1 SER 202 HB3 0.03 0.29 -0.22 -0.04 3.93 3.99 3h41A1 GLN 203 H 0.23 0.23 0.11 -0.55 8.47 8.49 3h41A1 GLN 203 HA 0.14 0.15 0.33 -0.75 4.36 4.23 3h41A1 GLN 203 HB2 0.09 0.05 0.12 -0.04 2.15 2.36 3h41A1 GLN 203 HB3 0.07 -0.09 0.14 -0.04 2.02 2.11 3h41A1 GLN 203 HG2 0.03 -0.03 -0.03 -0.04 2.40 2.32 3h41A1 GLN 203 HG3 0.02 0.08 -0.19 -0.04 2.39 2.26 3h41A1 GLN 203 HE21 -0.04 0.40 0.03 -0.04 6.97 7.33 3h41A1 GLN 203 HE22 -0.00 -0.04 -0.32 -0.04 7.69 7.29 3h41A1 ASN 204 H 0.05 0.01 -0.15 -0.55 8.53 7.90 3h41A1 ASN 204 HA 0.01 0.19 0.36 -0.75 4.76 4.57 3h41A1 ASN 204 HB2 0.02 -0.03 -0.07 -0.04 2.88 2.75 3h41A1 ASN 204 HB3 0.01 0.02 0.07 -0.04 2.79 2.85 3h41A1 ASN 204 HD21 0.02 -0.00 0.02 -0.04 7.03 7.02 3h41A1 ASN 204 HD22 0.02 0.02 0.03 -0.04 7.74 7.77 3h41A1 ASP 205 H -0.02 0.19 -0.67 -0.55 8.40 7.35 3h41A1 ASP 205 HA -0.02 0.23 0.85 -0.75 4.63 4.93 3h41A1 ASP 205 HB2 -0.04 -0.16 0.06 -0.04 2.71 2.53 3h41A1 ASP 205 HB3 -0.01 -0.03 0.16 -0.04 2.70 2.77 3h41A1 ILE 206 H -0.13 0.41 -0.23 -0.55 8.25 7.75 3h41A1 ILE 206 HA -0.50 -0.00 0.61 -0.75 4.18 3.53 3h41A1 ILE 206 HB -0.22 0.09 -0.03 -0.04 1.89 1.69 3h41A1 ILE 206 HG12 -1.64 -0.06 -0.05 -0.04 1.49 -0.30 3h41A1 ILE 206 HG13 -0.35 -0.01 -0.00 -0.04 1.21 0.81 3h41A1 ILE 206 HG23 -0.41 0.07 -0.17 -0.04 0.93 0.38 3h41A1 ILE 206 HD13 -0.15 0.03 -0.06 -0.04 0.88 0.67 3h41A1 PRO 207 HA -0.00 -0.02 0.40 -0.51 4.44 4.31 3h41A1 PRO 207 HB2 0.05 0.01 -0.09 -0.04 2.28 2.21 3h41A1 PRO 207 HB3 0.02 -0.05 0.07 -0.04 2.02 2.02 3h41A1 PRO 207 HG2 0.09 -0.03 0.08 -0.04 2.03 2.13 3h41A1 PRO 207 HG3 0.04 0.02 0.09 -0.04 2.03 2.14 3h41A1 PRO 207 HD2 0.07 0.08 0.17 -0.04 3.68 3.96 3h41A1 PRO 207 HD3 0.07 0.16 0.31 -0.04 3.65 4.16 3h41A1 THR 208 H 0.01 -0.02 0.14 -0.55 8.28 7.86 3h41A1 THR 208 HA 0.02 0.28 0.52 -0.75 4.39 4.45 3h41A1 THR 208 HB 0.01 -0.13 0.13 -0.04 4.32 4.29 3h41A1 THR 208 HG23 0.02 0.03 -0.04 -0.04 1.22 1.19 3h41A1 PRO 209 HA -0.03 -0.00 0.47 -0.51 4.44 4.36 3h41A1 PRO 209 HB2 -0.29 0.04 -0.06 -0.04 2.28 1.93 3h41A1 PRO 209 HB3 -0.28 0.06 0.07 -0.04 2.02 1.83 3h41A1 PRO 209 HG2 -0.08 -0.10 0.02 -0.04 2.03 1.83 3h41A1 PRO 209 HG3 -0.09 0.10 0.06 -0.04 2.03 2.06 3h41A1 PRO 209 HD2 0.03 -0.02 0.23 -0.04 3.68 3.88 3h41A1 PRO 209 HD3 0.04 0.63 0.32 -0.04 3.65 4.60 3h41A1 ALA 210 H -0.05 0.08 0.18 -0.55 8.40 8.06 3h41A1 ALA 210 HA -0.03 0.17 0.70 -0.75 4.34 4.43 3h41A1 ALA 210 HB3 -0.03 -0.02 0.12 -0.04 1.41 1.44 3h41A1 ALA 211 H -0.03 0.18 0.11 -0.55 8.40 8.11 3h41A1 ALA 211 HA -0.08 0.18 0.34 -0.75 4.34 4.02 3h41A1 ALA 211 HB3 -0.01 0.01 -0.09 -0.04 1.41 1.29 3h41A1 ASP 212 H -0.05 0.07 -0.16 -0.55 8.40 7.71 3h41A1 ASP 212 HA -0.06 0.09 0.34 -0.75 4.63 4.25 3h41A1 ASP 212 HB2 -0.04 -0.03 0.03 -0.04 2.71 2.63 3h41A1 ASP 212 HB3 -0.03 0.06 -0.04 -0.04 2.70 2.65 3h41A1 ASP 213 H -0.10 0.12 -0.38 -0.55 8.40 7.49 3h41A1 ASP 213 HA -0.06 0.04 0.43 -0.75 4.63 4.29 3h41A1 ASP 213 HB2 -0.32 0.18 0.08 -0.04 2.71 2.60 3h41A1 ASP 213 HB3 -0.16 0.08 0.00 -0.04 2.70 2.58 3h41A1 LEU 214 H -0.28 0.32 -0.17 -0.55 8.37 7.70 3h41A1 LEU 214 HA -0.34 0.11 0.42 -0.75 4.35 3.79 3h41A1 LEU 214 HB2 -0.23 0.10 0.13 -0.04 1.64 1.60 3h41A1 LEU 214 HB3 -0.37 0.00 -0.01 -0.04 1.64 1.22 3h41A1 LEU 214 HG -0.38 0.04 -0.02 -0.04 1.64 1.24 3h41A1 LEU 214 HD13 -0.45 -0.01 -0.03 -0.04 0.93 0.39 3h41A1 LEU 214 HD23 -0.68 0.01 -0.11 -0.04 0.89 0.07 3h41A1 ILE 215 H -0.12 0.37 -0.18 -0.55 8.25 7.78 3h41A1 ILE 215 HA -0.06 0.07 0.28 -0.75 4.18 3.71 3h41A1 ILE 215 HB -0.06 0.00 0.14 -0.04 1.89 1.93 3h41A1 ILE 215 HG12 -0.06 0.06 0.01 -0.04 1.49 1.46 3h41A1 ILE 215 HG13 -0.08 0.13 0.02 -0.04 1.21 1.25 3h41A1 ILE 215 HG23 -0.04 -0.00 -0.09 -0.04 0.93 0.76 3h41A1 ILE 215 HD13 -0.07 -0.04 -0.02 -0.04 0.88 0.71 3h41A1 ASN 216 H -0.05 0.58 -0.14 -0.55 8.53 8.37 3h41A1 ASN 216 HA -0.01 -0.04 0.30 -0.75 4.76 4.26 3h41A1 ASN 216 HB2 -0.01 0.08 0.18 -0.04 2.88 3.09 3h41A1 ASN 216 HB3 0.00 -0.01 0.01 -0.04 2.79 2.75 3h41A1 ASN 216 HD21 -0.02 -0.11 -0.04 -0.04 7.03 6.82 3h41A1 ASN 216 HD22 -0.01 -0.03 -0.11 -0.04 7.74 7.54 3h41A1 THR 217 H -0.01 0.45 -0.34 -0.55 8.28 7.83 3h41A1 THR 217 HA -0.00 0.01 0.40 -0.75 4.39 4.04 3h41A1 THR 217 HB 0.03 0.10 0.16 -0.04 4.32 4.57 3h41A1 THR 217 HG23 -0.01 -0.01 -0.15 -0.04 1.22 1.01 3h41A1 GLY 218 H -0.04 0.50 -0.11 -0.55 8.43 8.23 3h41A1 GLY 218 HA2 0.18 -0.04 0.31 -0.51 4.01 3.95 3h41A1 GLY 218 HA3 0.08 -0.04 0.22 -0.51 4.01 3.75 3h41A1 LYS 219 H 0.06 0.59 -0.22 -0.55 8.42 8.30 3h41A1 LYS 219 HA 0.10 -0.08 0.20 -0.75 4.32 3.79 3h41A1 LYS 219 HB2 0.01 0.15 0.11 -0.04 1.87 2.10 3h41A1 LYS 219 HB3 0.02 -0.11 0.10 -0.04 1.79 1.76 3h41A1 LYS 219 HG2 0.03 -0.10 -0.04 -0.04 1.46 1.32 3h41A1 LYS 219 HG3 0.03 0.18 -0.04 -0.04 1.46 1.59 3h41A1 LYS 219 HD2 -0.01 -0.01 -0.12 -0.04 1.69 1.52 3h41A1 LYS 219 HD3 0.00 -0.05 -0.02 -0.04 1.68 1.57 3h41A1 LYS 219 HE2 -0.01 -0.04 -0.05 -0.04 2.99 2.86 3h41A1 LYS 219 HE3 -0.02 0.01 -0.08 -0.04 2.99 2.87 3h41A1 PHE 221 HA 0.10 -0.10 0.29 -0.75 4.62 4.16 3h41A1 PHE 221 HB2 0.28 0.13 0.01 -0.04 3.15 3.53 3h41A1 PHE 221 HB3 0.25 -0.16 0.11 -0.04 3.06 3.21 3h41A1 PHE 221 HD2 0.17 0.07 0.07 -0.04 7.28 7.56 3h41A1 PHE 221 HE2 -0.18 -0.01 -0.02 -0.04 7.38 7.13 3h41A1 PHE 221 HZ -0.39 -0.02 -0.10 -0.04 7.32 6.76 3h41A1 LEU 222 H 0.11 0.53 -0.44 -0.55 8.37 8.03 3h41A1 LEU 222 HA 0.09 -0.00 0.26 -0.75 4.35 3.94 3h41A1 LEU 222 HB2 0.04 0.05 0.20 -0.04 1.64 1.90 3h41A1 LEU 222 HB3 0.04 -0.10 0.06 -0.04 1.64 1.60 3h41A1 LEU 222 HG 0.09 0.15 -0.05 -0.04 1.64 1.78 3h41A1 LEU 222 HD13 0.03 -0.02 0.03 -0.04 0.93 0.93 3h41A1 LEU 222 HD23 0.06 -0.04 -0.18 -0.04 0.89 0.69 3h41A1 GLY 223 H 0.06 0.62 0.29 -0.55 8.43 8.86 3h41A1 GLY 223 HA2 0.05 -0.09 0.32 -0.51 4.01 3.78 3h41A1 GLY 223 HA3 0.04 0.09 0.60 -0.51 4.01 4.23 3h41A1 LEU 224 H 0.14 0.58 -0.02 -0.55 8.37 8.52 3h41A1 LEU 224 HA 0.16 0.12 0.63 -0.75 4.35 4.51 3h41A1 LEU 224 HB2 0.29 0.06 0.08 -0.04 1.64 2.04 3h41A1 LEU 224 HB3 0.24 -0.04 0.19 -0.04 1.64 1.99 3h41A1 LEU 224 HG 0.17 0.07 -0.30 -0.04 1.64 1.53 3h41A1 LEU 224 HD13 0.40 -0.02 -0.19 -0.04 0.93 1.08 3h41A1 LEU 224 HD23 0.18 -0.05 -0.10 -0.04 0.89 0.88 3h41A1 PRO 225 HA 0.11 0.06 0.59 -0.51 4.44 4.68 3h41A1 PRO 225 HB2 0.12 0.01 0.04 -0.04 2.28 2.41 3h41A1 PRO 225 HB3 0.09 0.06 0.09 -0.04 2.02 2.22 3h41A1 PRO 225 HG2 0.11 -0.02 0.08 -0.04 2.03 2.16 3h41A1 PRO 225 HG3 0.08 0.04 0.08 -0.04 2.03 2.18 3h41A1 PRO 225 HD2 0.24 0.06 0.19 -0.04 3.68 4.13 3h41A1 PRO 225 HD3 0.12 0.27 0.37 -0.04 3.65 4.37 3h41A1 TYR 226 H 0.20 0.48 0.33 -0.55 8.29 8.75 3h41A1 TYR 226 HA 0.05 0.17 0.54 -0.75 4.56 4.57 3h41A1 TYR 226 HB2 0.01 -0.05 -0.10 -0.04 3.06 2.88 3h41A1 TYR 226 HB3 0.03 0.04 -0.12 -0.04 2.98 2.89 3h41A1 TYR 226 HD2 0.05 -0.01 -0.59 -0.04 7.15 6.57 3h41A1 TYR 226 HE2 0.23 0.06 -0.16 -0.04 6.85 6.94 3h41A1 ILE 227 H -0.33 0.37 -0.12 -0.55 8.25 7.62 3h41A1 ILE 227 HA 0.09 0.04 0.26 -0.75 4.18 3.81 3h41A1 ILE 227 HB -0.08 0.17 -0.10 -0.04 1.89 1.84 3h41A1 ILE 227 HG12 -0.44 -0.01 -0.08 -0.04 1.49 0.92 3h41A1 ILE 227 HG13 -0.05 0.05 -0.06 -0.04 1.21 1.11 3h41A1 ILE 227 HG23 -0.04 -0.02 -0.33 -0.04 0.93 0.49 3h41A1 ILE 227 HD13 -0.24 -0.01 0.06 -0.04 0.88 0.65 3h41A1 TRP 228 H 0.31 0.15 0.01 -0.55 7.97 7.89 3h41A1 TRP 228 HA -0.09 -0.02 0.49 -0.75 4.62 4.24 3h41A1 TRP 228 HB2 0.13 -0.03 0.09 -0.04 3.23 3.38 3h41A1 TRP 228 HB3 0.01 0.03 -0.00 -0.04 3.23 3.23 3h41A1 TRP 228 HD1 -0.07 -0.03 -0.29 -0.04 7.22 6.78 3h41A1 TRP 228 HE1 -0.03 0.10 0.05 -0.04 10.20 10.27 3h41A1 TRP 228 HE3 0.27 -0.04 0.06 -0.04 7.59 7.83 3h41A1 TRP 228 HZ2 0.04 0.06 0.07 -0.04 7.44 7.57 3h41A1 TRP 228 HZ3 0.19 0.03 0.08 -0.04 7.13 7.39 3h41A1 TRP 228 HH2 0.11 0.00 0.07 -0.04 7.19 7.33 3h41A1 ALA 229 H -0.78 0.09 0.12 -0.55 8.40 7.28 3h41A1 ALA 229 HA -0.51 0.06 0.19 -0.75 4.34 3.32 3h41A1 ALA 229 HB3 -0.31 0.05 -0.29 -0.04 1.41 0.82 3h41A1 GLY 230 H -0.21 0.28 -0.43 -0.55 8.43 7.52 3h41A1 GLY 230 HA2 -0.06 0.02 0.11 -0.51 4.01 3.57 3h41A1 GLY 230 HA3 -0.11 0.11 0.06 -0.51 4.01 3.56 3h41A1 THR 231 H -0.07 0.11 0.12 -0.55 8.28 7.89 3h41A1 THR 231 HA 0.22 0.12 0.79 -0.75 4.39 4.77 3h41A1 THR 231 HB -0.01 0.04 0.15 -0.04 4.32 4.46 3h41A1 THR 231 HG23 0.08 0.01 0.16 -0.04 1.22 1.44 3h41A1 SER 232 H -0.47 0.41 0.01 -0.55 8.46 7.87 3h41A1 SER 232 HA -0.03 0.28 0.56 -0.75 4.49 4.55 3h41A1 SER 232 HB2 0.06 0.04 0.12 -0.04 3.95 4.12 3h41A1 SER 232 HB3 -0.00 0.06 -0.38 -0.04 3.93 3.56 3h41A1 GLY 233 H -0.06 0.23 0.18 -0.55 8.43 8.23 3h41A1 GLY 233 HA2 -0.10 0.12 0.43 -0.51 4.01 3.96 3h41A1 GLY 233 HA3 0.08 0.32 0.44 -0.51 4.01 4.34 3h41A1 PHE 234 H -0.18 -0.01 -0.55 -0.55 8.34 7.04 3h41A1 PHE 234 HA -0.89 0.15 0.66 -0.75 4.62 3.79 3h41A1 PHE 234 HB2 -0.36 0.02 -0.10 -0.04 3.15 2.67 3h41A1 PHE 234 HB3 -0.74 -0.01 -0.03 -0.04 3.06 2.24 3h41A1 PHE 234 HD2 -1.38 0.01 -0.09 -0.04 7.28 5.78 3h41A1 PHE 234 HE2 -0.27 -0.03 -0.09 -0.04 7.38 6.96 3h41A1 PHE 234 HZ -0.10 0.18 -0.18 -0.04 7.32 7.18 3h41A1 GLY 235 H -0.39 0.44 -0.29 -0.55 8.43 7.65 3h41A1 GLY 235 HA2 -0.05 0.14 0.18 -0.51 4.01 3.77 3h41A1 GLY 235 HA3 -0.05 0.12 0.54 -0.51 4.01 4.10 3h41A1 PHE 236 H 0.01 0.28 0.09 -0.55 8.34 8.17 3h41A1 PHE 236 HA -0.11 0.13 0.76 -0.75 4.62 4.64 3h41A1 PHE 236 HB2 -0.15 -0.04 0.02 -0.04 3.15 2.93 3h41A1 PHE 236 HB3 -0.04 0.14 -0.01 -0.04 3.06 3.12 3h41A1 PHE 236 HD2 -0.10 0.01 -0.24 -0.04 7.28 6.91 3h41A1 PHE 236 HE2 -0.83 0.07 -0.26 -0.04 7.38 6.32 3h41A1 PHE 236 HZ -0.37 0.02 -0.31 -0.04 7.32 6.61 3h41A1 ASP 237 H -0.09 0.41 0.21 -0.55 8.40 8.38 3h41A1 ASP 237 HA -0.84 0.20 0.66 -0.75 4.63 3.89 3h41A1 ASP 237 HB2 -0.09 0.05 0.17 -0.04 2.71 2.80 3h41A1 ASP 237 HB3 -0.42 -0.00 0.20 -0.04 2.70 2.43 3h41A1 SER 239 HA 0.03 -0.03 0.31 -0.75 4.49 4.04 3h41A1 SER 239 HB2 -0.01 0.35 -0.00 -0.04 3.95 4.25 3h41A1 SER 239 HB3 0.03 -0.20 0.06 -0.04 3.93 3.79 3h41A1 GLY 240 H -0.03 0.04 -0.87 -0.55 8.43 7.02 3h41A1 GLY 240 HA2 0.04 0.09 0.59 -0.51 4.01 4.22 3h41A1 GLY 240 HA3 0.08 0.25 0.40 -0.51 4.01 4.23 3h41A1 PHE 241 H 0.08 0.48 0.23 -0.55 8.34 8.58 3h41A1 PHE 241 HA -1.31 0.08 0.38 -0.75 4.62 3.02 3h41A1 PHE 241 HB2 -0.32 0.06 0.07 -0.04 3.15 2.92 3h41A1 PHE 241 HB3 -0.18 -0.08 0.06 -0.04 3.06 2.82 3h41A1 PHE 241 HD2 -0.80 -0.02 -0.11 -0.04 7.28 6.30 3h41A1 PHE 241 HE2 -0.09 0.11 -0.24 -0.04 7.38 7.12 3h41A1 PHE 241 HZ 0.02 0.07 -0.17 -0.04 7.32 7.19 3h41A1 THR 242 H 0.03 0.09 -0.12 -0.55 8.28 7.73 3h41A1 THR 242 HA -0.21 0.07 0.40 -0.75 4.39 3.90 3h41A1 THR 242 HB -0.02 0.04 -0.03 -0.04 4.32 4.26 3h41A1 THR 242 HG23 0.01 -0.00 -0.06 -0.04 1.22 1.12 3h41A1 HIS 243 H 0.06 0.58 -0.19 -0.55 8.41 8.32 3h41A1 HIS 243 HA -0.06 -0.01 0.36 -0.75 4.63 4.16 3h41A1 HIS 243 HB2 -0.05 0.15 0.11 -0.04 3.26 3.43 3h41A1 HIS 243 HB3 -0.04 0.03 0.22 -0.04 3.20 3.36 3h41A1 HIS 243 HD2 -0.01 0.01 -0.05 -0.04 6.97 6.87 3h41A1 HIS 243 HE1 -0.00 0.10 0.17 -0.04 7.75 7.97 3h41A1 THR 244 H -0.03 0.52 -0.29 -0.55 8.28 7.94 3h41A1 THR 244 HA -0.09 0.01 0.36 -0.75 4.39 3.91 3h41A1 THR 244 HB -0.18 0.06 0.09 -0.04 4.32 4.25 3h41A1 THR 244 HG23 0.33 -0.03 -0.21 -0.04 1.22 1.27 3h41A1 ILE 245 H -0.26 0.55 -0.14 -0.55 8.25 7.84 3h41A1 ILE 245 HA -0.01 0.01 0.28 -0.75 4.18 3.71 3h41A1 ILE 245 HB -0.30 0.07 0.14 -0.04 1.89 1.75 3h41A1 ILE 245 HG12 -0.36 -0.03 -0.10 -0.04 1.49 0.97 3h41A1 ILE 245 HG13 -0.75 0.10 -0.02 -0.04 1.21 0.49 3h41A1 ILE 245 HG23 -0.30 -0.01 -0.15 -0.04 0.93 0.43 3h41A1 ILE 245 HD13 -1.06 -0.03 -0.14 -0.04 0.88 -0.38 3h41A1 TYR 246 H 0.04 0.55 -0.12 -0.55 8.29 8.21 3h41A1 TYR 246 HA -0.02 -0.01 0.40 -0.75 4.56 4.17 3h41A1 TYR 246 HB2 -0.18 0.12 0.14 -0.04 3.06 3.09 3h41A1 TYR 246 HB3 -0.13 0.15 -0.01 -0.04 2.98 2.96 3h41A1 TYR 246 HD2 -0.10 0.09 -0.03 -0.04 7.15 7.08 3h41A1 TYR 246 HE2 -0.02 -0.02 -0.10 -0.04 6.85 6.67 3h41A1 LYS 247 H -0.12 0.57 -0.09 -0.55 8.42 8.23 3h41A1 LYS 247 HA -0.07 0.02 0.12 -0.75 4.32 3.63 3h41A1 LYS 247 HB2 -0.48 0.07 0.16 -0.04 1.87 1.58 3h41A1 LYS 247 HB3 -0.23 0.04 0.13 -0.04 1.79 1.70 3h41A1 LYS 247 HG2 -0.11 0.00 -0.11 -0.04 1.46 1.21 3h41A1 LYS 247 HG3 -0.09 -0.11 0.02 -0.04 1.46 1.24 3h41A1 LYS 247 HD2 -0.09 -0.02 0.08 -0.04 1.69 1.62 3h41A1 LYS 247 HD3 -0.13 0.02 0.04 -0.04 1.68 1.56 3h41A1 LYS 247 HE2 -0.04 -0.02 0.01 -0.04 2.99 2.90 3h41A1 LYS 247 HE3 0.01 -0.10 0.05 -0.04 2.99 2.90 3h41A1 SER 248 H -0.04 0.58 -0.23 -0.55 8.46 8.23 3h41A1 SER 248 HA -0.14 0.00 0.40 -0.75 4.49 4.00 3h41A1 SER 248 HB2 -0.28 -0.10 0.07 -0.04 3.95 3.60 3h41A1 SER 248 HB3 -0.05 0.04 0.08 -0.04 3.93 3.97 3h41A1 HIS 249 H 0.01 0.39 -0.57 -0.55 8.41 7.69 3h41A1 HIS 249 HA -0.08 0.11 0.76 -0.75 4.63 4.66 3h41A1 HIS 249 HB2 -0.11 0.11 0.11 -0.04 3.26 3.32 3h41A1 HIS 249 HB3 -0.07 -0.06 0.19 -0.04 3.20 3.22 3h41A1 HIS 249 HD2 -0.08 0.38 -0.01 -0.04 6.97 7.21 3h41A1 HIS 249 HE1 0.04 -0.08 -0.08 -0.04 7.75 7.58 3h41A1 GLY 250 H -0.05 0.42 -0.27 -0.55 8.43 7.97 3h41A1 GLY 250 HA2 -0.04 -0.03 0.30 -0.51 4.01 3.73 3h41A1 GLY 250 HA3 -0.04 0.14 0.34 -0.51 4.01 3.94 3h41A1 ILE 251 H 0.05 0.55 -0.20 -0.55 8.25 8.10 3h41A1 ILE 251 HA 0.06 0.09 0.84 -0.75 4.18 4.42 3h41A1 ILE 251 HB 0.29 -0.01 -0.01 -0.04 1.89 2.12 3h41A1 ILE 251 HG12 0.10 0.00 -0.14 -0.04 1.49 1.41 3h41A1 ILE 251 HG13 0.10 0.16 -0.32 -0.04 1.21 1.11 3h41A1 ILE 251 HG23 0.12 -0.02 -0.22 -0.04 0.93 0.77 3h41A1 ILE 251 HD13 0.20 0.00 -0.06 -0.04 0.88 0.98 3h41A1 THR 252 H 0.04 0.15 0.04 -0.55 8.28 7.96 3h41A1 THR 252 HA -0.03 0.15 0.66 -0.75 4.39 4.42 3h41A1 THR 252 HB 0.04 -0.08 0.13 -0.04 4.32 4.38 3h41A1 THR 252 HG23 0.09 0.01 -0.10 -0.04 1.22 1.18 3h41A1 ILE 253 H -0.02 0.25 0.17 -0.55 8.25 8.10 3h41A1 ILE 253 HA 0.00 0.11 0.69 -0.75 4.18 4.23 3h41A1 ILE 253 HB -0.55 -0.02 0.03 -0.04 1.89 1.32 3h41A1 ILE 253 HG12 -0.09 0.01 0.01 -0.04 1.49 1.38 3h41A1 ILE 253 HG13 -0.05 0.26 -0.27 -0.04 1.21 1.12 3h41A1 ILE 253 HG23 -0.68 0.03 -0.24 -0.04 0.93 -0.01 3h41A1 ILE 253 HD13 -0.43 -0.04 -0.25 -0.04 0.88 0.11 3h41A1 PRO 254 HA 0.04 0.08 0.42 -0.51 4.44 4.47 3h41A1 PRO 254 HB2 0.03 -0.03 -0.17 -0.04 2.28 2.07 3h41A1 PRO 254 HB3 0.03 -0.01 -0.06 -0.04 2.02 1.93 3h41A1 PRO 254 HG2 0.06 0.11 -0.41 -0.04 2.03 1.75 3h41A1 PRO 254 HG3 0.05 0.02 -0.11 -0.04 2.03 1.95 3h41A1 PRO 254 HD2 0.04 0.11 0.05 -0.04 3.68 3.84 3h41A1 PRO 254 HD3 0.11 0.14 0.09 -0.04 3.65 3.95 3h41A1 ARG 255 H -0.04 0.50 0.16 -0.55 8.46 8.53 3h41A1 ARG 255 HA -0.48 0.15 0.50 -0.75 4.34 3.76 3h41A1 ARG 255 HB2 -0.40 0.01 0.07 -0.04 1.90 1.54 3h41A1 ARG 255 HB3 -0.02 0.00 0.07 -0.04 1.80 1.81 3h41A1 ARG 255 HG2 -0.91 0.01 -0.03 -0.04 1.67 0.70 3h41A1 ARG 255 HG3 -0.36 -0.08 -0.32 -0.04 1.67 0.87 3h41A1 ARG 255 HD2 -0.38 0.04 0.07 -0.04 3.22 2.91 3h41A1 ARG 255 HD3 -0.49 0.06 0.05 -0.04 3.22 2.79 3h41A1 ASP 256 H 0.02 0.06 -0.09 -0.55 8.40 7.85 3h41A1 ASP 256 HA -0.04 0.22 0.64 -0.75 4.63 4.70 3h41A1 ASP 256 HB2 0.07 -0.01 0.08 -0.04 2.71 2.80 3h41A1 ASP 256 HB3 0.05 -0.13 0.08 -0.04 2.70 2.65 3h41A1 SER 257 H 0.06 0.15 0.11 -0.55 8.46 8.23 3h41A1 SER 257 HA 0.19 0.00 0.16 -0.75 4.49 4.09 3h41A1 SER 257 HB2 0.24 0.04 -0.19 -0.04 3.95 4.00 3h41A1 SER 257 HB3 0.12 0.00 -0.01 -0.04 3.93 4.00 3h41A1 GLY 258 H 0.07 0.08 -0.15 -0.55 8.43 7.89 3h41A1 GLY 258 HA2 -0.02 0.07 0.34 -0.51 4.01 3.89 3h41A1 GLY 258 HA3 0.02 0.05 0.29 -0.51 4.01 3.86 3h41A1 PRO 259 HA -0.04 0.09 0.44 -0.51 4.44 4.42 3h41A1 PRO 259 HB2 0.02 0.09 -0.03 -0.04 2.28 2.32 3h41A1 PRO 259 HB3 0.00 0.04 0.01 -0.04 2.02 2.03 3h41A1 PRO 259 HG2 0.03 0.01 0.06 -0.04 2.03 2.08 3h41A1 PRO 259 HG3 0.00 0.05 0.03 -0.04 2.03 2.07 3h41A1 PRO 259 HD2 0.03 -0.03 -0.21 -0.04 3.68 3.43 3h41A1 PRO 259 HD3 0.02 0.08 0.06 -0.04 3.65 3.77 3h41A1 GLN 260 H 0.02 0.51 -0.30 -0.55 8.47 8.15 3h41A1 GLN 260 HA 0.12 0.03 0.36 -0.75 4.36 4.11 3h41A1 GLN 260 HB2 0.24 -0.05 0.01 -0.04 2.15 2.31 3h41A1 GLN 260 HB3 0.37 -0.02 -0.11 -0.04 2.02 2.22 3h41A1 GLN 260 HG2 -0.02 -0.03 -0.09 -0.04 2.40 2.22 3h41A1 GLN 260 HG3 0.05 0.13 -0.24 -0.04 2.39 2.29 3h41A1 GLN 260 HE21 0.03 0.00 0.00 -0.04 6.97 6.96 3h41A1 GLN 260 HE22 0.02 0.38 -0.23 -0.04 7.69 7.82 3h41A1 SER 261 H -0.37 0.36 -0.46 -0.55 8.46 7.45 3h41A1 SER 261 HA -1.73 0.03 0.28 -0.75 4.49 2.32 3h41A1 SER 261 HB2 -0.93 -0.05 0.05 -0.04 3.95 2.98 3h41A1 SER 261 HB3 -1.01 0.01 0.09 -0.04 3.93 2.98 3h41A1 ARG 262 H -0.17 0.34 -0.50 -0.55 8.46 7.58 3h41A1 ARG 262 HA -0.14 0.13 0.77 -0.75 4.34 4.34 3h41A1 ARG 262 HB2 -0.08 -0.00 0.05 -0.04 1.90 1.83 3h41A1 ARG 262 HB3 -0.07 -0.07 0.15 -0.04 1.80 1.76 3h41A1 ARG 262 HG2 -0.11 0.05 -0.12 -0.04 1.67 1.44 3h41A1 ARG 262 HG3 -0.07 -0.09 -0.03 -0.04 1.67 1.44 3h41A1 ARG 262 HD2 -0.10 -0.02 0.05 -0.04 3.22 3.11 3h41A1 ARG 262 HD3 -0.17 0.24 -0.37 -0.04 3.22 2.88 3h41A1 ASN 263 H -0.05 0.32 -0.14 -0.55 8.53 8.12 3h41A1 ASN 263 HA -0.09 0.12 0.77 -0.75 4.76 4.81 3h41A1 ASN 263 HB2 0.16 0.06 0.06 -0.04 2.88 3.12 3h41A1 ASN 263 HB3 0.11 -0.07 0.11 -0.04 2.79 2.89 3h41A1 ASN 263 HD21 -0.00 -0.11 -0.13 -0.04 7.03 6.74 3h41A1 ASN 263 HD22 0.01 0.40 -0.12 -0.04 7.74 7.99 3h41A1 GLY 264 H -0.23 0.03 0.11 -0.55 8.43 7.79 3h41A1 GLY 264 HA2 -0.46 0.01 0.36 -0.51 4.01 3.41 3h41A1 GLY 264 HA3 -1.15 0.11 0.49 -0.51 4.01 2.96 3h41A1 VAL 265 H -0.27 0.60 0.31 -0.55 8.24 8.33 3h41A1 VAL 265 HA -0.12 0.10 0.74 -0.75 4.13 4.09 3h41A1 VAL 265 HB -0.08 -0.00 0.15 -0.04 2.12 2.15 3h41A1 VAL 265 HG13 -0.06 0.03 -0.06 -0.04 0.97 0.84 3h41A1 VAL 265 HG23 -0.09 -0.00 -0.06 -0.04 0.95 0.76 3h41A1 ALA 266 H -0.08 0.10 0.17 -0.55 8.40 8.04 3h41A1 ALA 266 HA -0.05 0.25 0.61 -0.75 4.34 4.40 3h41A1 ALA 266 HB3 -0.05 -0.01 0.10 -0.04 1.41 1.41 3h41A1 VAL 267 H 0.00 0.70 0.37 -0.55 8.24 8.77 3h41A1 VAL 267 HA -0.00 0.11 0.85 -0.75 4.13 4.33 3h41A1 VAL 267 HB 0.04 -0.04 -0.17 -0.04 2.12 1.91 3h41A1 VAL 267 HG13 0.06 -0.00 -0.30 -0.04 0.97 0.68 3h41A1 VAL 267 HG23 0.01 0.06 -0.21 -0.04 0.95 0.77 3h41A1 ASP 268 H 0.04 0.15 0.09 -0.55 8.40 8.14 3h41A1 ASP 268 HA 0.07 0.19 0.72 -0.75 4.63 4.86 3h41A1 ASP 268 HB2 0.07 -0.03 0.10 -0.04 2.71 2.81 3h41A1 ASP 268 HB3 0.04 0.11 0.04 -0.04 2.70 2.84 3h41A1 LYS 269 H 0.07 0.19 0.15 -0.55 8.42 8.28 3h41A1 LYS 269 HA -0.01 0.00 0.26 -0.75 4.32 3.82 3h41A1 LYS 269 HB2 -0.10 0.00 0.12 -0.04 1.87 1.85 3h41A1 LYS 269 HB3 -0.05 0.00 0.12 -0.04 1.79 1.83 3h41A1 LYS 269 HG2 -0.16 0.00 -0.05 -0.04 1.46 1.21 3h41A1 LYS 269 HG3 -0.16 0.00 -0.16 -0.04 1.46 1.11 3h41A1 LYS 269 HD2 -0.49 0.00 0.00 -0.04 1.69 1.16 3h41A1 LYS 269 HD3 -0.79 0.04 0.00 -0.04 1.68 0.89 3h41A1 LYS 269 HE2 -0.36 0.02 -0.04 -0.04 2.99 2.57 3h41A1 LYS 269 HE3 -0.24 0.01 -0.03 -0.04 2.99 2.69 3h41A1 GLU 270 H 0.02 0.07 -0.29 -0.55 8.60 7.86 3h41A1 GLU 270 HA -0.09 0.11 0.39 -0.75 4.29 3.94 3h41A1 HIS 271 H 0.08 0.60 -0.44 -0.55 8.41 8.11 3h41A1 HIS 271 HA -0.01 0.21 0.83 -0.75 4.63 4.91 3h41A1 HIS 271 HB2 -0.00 -0.08 0.07 -0.04 3.26 3.21 3h41A1 HIS 271 HB3 0.00 0.02 0.14 -0.04 3.20 3.32 3h41A1 HIS 271 HD2 0.00 0.02 0.01 -0.04 6.97 6.96 3h41A1 HIS 271 HE1 -0.00 -0.02 -0.06 -0.04 7.75 7.62 3h41A1 LEU 272 H -0.06 0.23 -0.18 -0.55 8.37 7.81 3h41A1 LEU 272 HA -0.02 0.03 0.25 -0.75 4.35 3.85 3h41A1 LEU 272 HB2 -0.33 -0.00 0.06 -0.04 1.64 1.33 3h41A1 LEU 272 HB3 -0.66 0.01 -0.13 -0.04 1.64 0.81 3h41A1 LEU 272 HG -0.11 -0.04 -0.03 -0.04 1.64 1.42 3h41A1 LEU 272 HD13 -0.48 -0.01 -0.07 -0.04 0.93 0.33 3h41A1 LEU 272 HD23 -0.05 0.02 -0.14 -0.04 0.89 0.68 3h41A1 GLN 273 H 0.09 0.20 0.19 -0.55 8.47 8.41 3h41A1 GLN 273 HA 0.19 0.09 0.80 -0.75 4.36 4.68 3h41A1 GLN 273 HB2 0.10 0.02 0.07 -0.04 2.15 2.29 3h41A1 GLN 273 HB3 0.09 0.02 0.09 -0.04 2.02 2.17 3h41A1 GLN 273 HG2 0.08 -0.06 0.01 -0.04 2.40 2.39 3h41A1 GLN 273 HG3 0.09 0.19 -0.37 -0.04 2.39 2.26 3h41A1 GLN 273 HE21 0.06 -0.03 -0.01 -0.04 6.97 6.95 3h41A1 GLN 273 HE22 0.09 0.01 -0.03 -0.04 7.69 7.71 3h41A1 LYS 274 H 0.12 0.07 0.07 -0.55 8.42 8.13 3h41A1 LYS 274 HA 0.03 0.12 0.31 -0.75 4.32 4.02 3h41A1 LYS 274 HB2 0.02 -0.07 0.08 -0.04 1.87 1.85 3h41A1 LYS 274 HB3 -0.02 0.06 -0.09 -0.04 1.79 1.69 3h41A1 LYS 274 HG2 -0.13 0.08 -0.46 -0.04 1.46 0.91 3h41A1 LYS 274 HG3 -0.02 -0.10 -0.03 -0.04 1.46 1.26 3h41A1 LYS 274 HD2 -0.02 -0.06 -0.01 -0.04 1.69 1.56 3h41A1 LYS 274 HD3 -0.04 -0.03 -0.08 -0.04 1.68 1.49 3h41A1 LYS 274 HE2 -0.08 0.31 -0.00 -0.04 2.99 3.18 3h41A1 LYS 274 HE3 -0.05 -0.10 -0.00 -0.04 2.99 2.80 3h41A1 GLY 275 H 0.05 0.77 0.33 -0.55 8.43 9.03 3h41A1 GLY 275 HA2 0.04 0.03 0.38 -0.51 4.01 3.96 3h41A1 GLY 275 HA3 0.08 -0.02 0.67 -0.51 4.01 4.23 3h41A1 ASP 276 H 0.17 0.41 -0.25 -0.55 8.40 8.18 3h41A1 ASP 276 HA 0.15 0.00 0.49 -0.75 4.63 4.52 3h41A1 ASP 276 HB2 0.13 0.01 0.14 -0.04 2.71 2.95 3h41A1 ASP 276 HB3 0.08 0.01 -0.01 -0.04 2.70 2.73 3h41A1 LEU 277 H 0.14 0.55 0.43 -0.55 8.37 8.93 3h41A1 LEU 277 HA -0.07 0.37 1.01 -0.75 4.35 4.91 3h41A1 LEU 277 HB2 0.18 -0.03 0.16 -0.04 1.64 1.91 3h41A1 LEU 277 HB3 -0.45 -0.06 0.01 -0.04 1.64 1.10 3h41A1 LEU 277 HG 0.02 0.02 0.01 -0.04 1.64 1.65 3h41A1 LEU 277 HD13 -0.15 -0.02 -0.08 -0.04 0.93 0.64 3h41A1 LEU 277 HD23 0.04 0.03 -0.10 -0.04 0.89 0.82 3h41A1 ILE 278 H -0.28 0.76 0.34 -0.55 8.25 8.52 3h41A1 ILE 278 HA -0.27 0.00 1.05 -0.75 4.18 4.20 3h41A1 ILE 278 HB -0.05 0.00 -0.05 -0.04 1.89 1.75 3h41A1 ILE 278 HG12 0.03 0.28 -0.39 -0.04 1.49 1.38 3h41A1 ILE 278 HG13 0.09 0.00 -0.21 -0.04 1.21 1.05 3h41A1 ILE 278 HG23 -0.21 -0.02 -0.06 -0.04 0.93 0.60 3h41A1 ILE 278 HD13 0.00 0.01 -0.36 -0.04 0.88 0.50 3h41A1 PHE 279 H -0.43 0.62 0.29 -0.55 8.34 8.26 3h41A1 PHE 279 HA -0.21 0.27 1.01 -0.75 4.62 4.94 3h41A1 PHE 279 HB2 -0.26 0.11 -0.12 -0.04 3.15 2.84 3h41A1 PHE 279 HB3 -0.14 -0.04 -0.00 -0.04 3.06 2.83 3h41A1 PHE 279 HD2 -0.10 0.01 -0.16 -0.04 7.28 6.99 3h41A1 PHE 279 HE2 -0.00 -0.03 -0.14 -0.04 7.38 7.16 3h41A1 PHE 279 HZ 0.05 0.08 -0.34 -0.04 7.32 7.07 3h41A1 PHE 280 H 0.15 0.52 0.34 -0.55 8.34 8.79 3h41A1 PHE 280 HA 0.03 0.40 0.79 -0.75 4.62 5.08 3h41A1 PHE 280 HB2 -0.03 -0.14 -0.02 -0.04 3.15 2.91 3h41A1 PHE 280 HB3 0.00 0.02 -0.09 -0.04 3.06 2.95 3h41A1 PHE 280 HD2 0.22 0.03 -0.34 -0.04 7.28 7.15 3h41A1 PHE 280 HE2 0.24 0.03 -0.27 -0.04 7.38 7.33 3h41A1 PHE 280 HZ 0.16 0.01 -0.19 -0.04 7.32 7.26 3h41A1 ALA 281 H 0.14 0.75 0.24 -0.55 8.40 8.99 3h41A1 ALA 281 HA 0.20 0.05 1.04 -0.75 4.34 4.87 3h41A1 ALA 281 HB3 0.09 0.04 -0.38 -0.04 1.41 1.12 3h41A1 HIS 282 H 0.21 0.57 0.08 -0.55 8.41 8.72 3h41A1 HIS 282 HA 0.09 0.05 0.43 -0.75 4.63 4.44 3h41A1 HIS 282 HB2 0.04 -0.09 0.08 -0.04 3.26 3.24 3h41A1 HIS 282 HB3 -0.01 -0.02 0.08 -0.04 3.20 3.21 3h41A1 HIS 282 HD2 0.03 0.02 -0.03 -0.04 6.97 6.95 3h41A1 HIS 282 HE1 -0.45 0.02 -0.01 -0.04 7.75 7.26 3h41A1 ASP 283 H 0.15 0.13 0.15 -0.55 8.40 8.29 3h41A1 ASP 283 HA 0.07 0.04 0.37 -0.75 4.63 4.36 3h41A1 ASP 283 HB2 0.06 -0.02 -0.04 -0.04 2.71 2.67 3h41A1 ASP 283 HB3 0.08 0.07 -0.05 -0.04 2.70 2.76 3h41A1 GLN 284 H 0.09 0.04 -0.03 -0.55 8.47 8.03 3h41A1 GLN 284 HA 0.09 0.10 0.23 -0.75 4.36 4.03 3h41A1 GLN 284 HB2 0.06 0.13 -0.04 -0.04 2.15 2.26 3h41A1 GLN 284 HB3 0.07 0.08 0.21 -0.04 2.02 2.33 3h41A1 GLN 284 HG2 0.05 -0.19 -0.23 -0.04 2.40 1.99 3h41A1 GLN 284 HG3 0.04 0.01 -0.07 -0.04 2.39 2.33 3h41A1 GLN 284 HE21 0.04 -0.03 0.00 -0.04 6.97 6.95 3h41A1 GLN 284 HE22 0.05 -0.09 0.01 -0.04 7.69 7.62 3h41A1 GLY 285 H 0.12 0.18 -0.50 -0.55 8.43 7.68 3h41A1 GLY 285 HA2 0.10 -0.04 0.18 -0.51 4.01 3.73 3h41A1 GLY 285 HA3 0.09 0.26 0.35 -0.51 4.01 4.20 3h41A1 LYS 286 H 0.08 0.36 -0.33 -0.55 8.42 7.97 3h41A1 LYS 286 HA 0.04 0.15 0.63 -0.75 4.32 4.39 3h41A1 LYS 286 HB2 0.05 0.03 0.05 -0.04 1.87 1.95 3h41A1 LYS 286 HB3 0.04 -0.10 0.06 -0.04 1.79 1.74 3h41A1 LYS 286 HG2 0.04 -0.01 -0.08 -0.04 1.46 1.37 3h41A1 LYS 286 HG3 0.05 0.21 -0.08 -0.04 1.46 1.60 3h41A1 LYS 286 HD2 0.03 -0.07 0.00 -0.04 1.69 1.61 3h41A1 LYS 286 HD3 0.03 -0.04 -0.00 -0.04 1.68 1.63 3h41A1 LYS 286 HE2 0.04 -0.00 -0.01 -0.04 2.99 2.98 3h41A1 LYS 286 HE3 0.04 0.06 0.03 -0.04 2.99 3.07 3h41A1 GLY 287 H 0.10 0.54 -0.15 -0.55 8.43 8.38 3h41A1 GLY 287 HA2 0.06 0.16 0.60 -0.51 4.01 4.32 3h41A1 GLY 287 HA3 0.11 -0.13 0.23 -0.51 4.01 3.72 3h41A1 SER 288 H 0.15 0.04 0.10 -0.55 8.46 8.19 3h41A1 SER 288 HA 0.10 0.00 0.42 -0.75 4.49 4.26 3h41A1 SER 288 HB2 0.15 0.11 0.07 -0.04 3.95 4.24 3h41A1 SER 288 HB3 0.10 0.00 0.10 -0.04 3.93 4.09 3h41A1 VAL 289 H 0.10 0.15 0.18 -0.55 8.24 8.12 3h41A1 VAL 289 HA 0.14 0.17 0.59 -0.75 4.13 4.27 3h41A1 VAL 289 HB 0.06 -0.12 0.09 -0.04 2.12 2.11 3h41A1 VAL 289 HG13 0.16 0.03 -0.24 -0.04 0.97 0.88 3h41A1 VAL 289 HG23 -0.02 0.05 -0.02 -0.04 0.95 0.92 3h41A1 HIS 290 H 0.06 0.57 0.42 -0.55 8.41 8.92 3h41A1 HIS 290 HA 0.19 0.11 0.58 -0.75 4.63 4.76 3h41A1 HIS 290 HB2 0.18 -0.01 0.19 -0.04 3.26 3.58 3h41A1 HIS 290 HB3 0.13 0.02 -0.08 -0.04 3.20 3.22 3h41A1 HIS 290 HD2 -0.40 -0.04 -0.03 -0.04 6.97 6.46 3h41A1 HIS 290 HE1 -0.16 -0.01 -0.13 -0.04 7.75 7.41 3h41A1 HIS 291 H 0.08 0.35 0.32 -0.55 8.41 8.61 3h41A1 HIS 291 HA 0.13 0.00 0.61 -0.75 4.63 4.61 3h41A1 HIS 291 HB2 -0.16 0.00 -0.10 -0.04 3.26 2.96 3h41A1 HIS 291 HB3 0.08 0.00 -0.03 -0.04 3.20 3.21 3h41A1 HIS 291 HD2 0.21 -0.06 -0.30 -0.04 6.97 6.78 3h41A1 HIS 291 HE1 -0.02 -0.03 -0.13 -0.04 7.75 7.52 3h41A1 VAL 292 H -0.57 0.36 0.21 -0.55 8.24 7.68 3h41A1 VAL 292 HA -0.30 0.38 0.93 -0.75 4.13 4.40 3h41A1 VAL 292 HB 0.00 -0.06 -0.08 -0.04 2.12 1.95 3h41A1 VAL 292 HG13 -0.02 -0.02 0.01 -0.04 0.97 0.90 3h41A1 VAL 292 HG23 -0.60 0.04 -0.05 -0.04 0.95 0.30 3h41A1 ALA 293 H -0.20 0.63 0.25 -0.55 8.40 8.54 3h41A1 ALA 293 HA 0.10 0.19 0.59 -0.75 4.34 4.47 3h41A1 ALA 293 HB3 0.21 0.03 -0.11 -0.04 1.41 1.49 3h41A1 TYR 295 HA 0.02 -0.00 0.30 -0.75 4.56 4.12 3h41A1 TYR 295 HB2 0.04 -0.00 -0.02 -0.04 3.06 3.03 3h41A1 TYR 295 HB3 0.03 0.04 0.07 -0.04 2.98 3.08 3h41A1 TYR 295 HD2 0.03 0.10 -0.44 -0.04 7.15 6.80 3h41A1 TYR 295 HE2 0.01 0.01 -0.22 -0.04 6.85 6.61 3h41A1 ILE 296 H -0.44 0.59 0.24 -0.55 8.25 8.08 3h41A1 ILE 296 HA -0.17 0.11 0.94 -0.75 4.18 4.31 3h41A1 ILE 296 HB -0.10 -0.07 0.11 -0.04 1.89 1.79 3h41A1 ILE 296 HG12 -0.13 -0.03 -0.33 -0.04 1.49 0.96 3h41A1 ILE 296 HG13 -0.17 0.06 -0.21 -0.04 1.21 0.85 3h41A1 ILE 296 HG23 -0.04 0.05 -0.22 -0.04 0.93 0.67 3h41A1 ILE 296 HD13 -0.05 -0.01 -0.10 -0.04 0.88 0.68 3h41A1 GLY 297 H -1.62 0.09 -0.11 -0.55 8.43 6.24 3h41A1 GLY 297 HA2 -0.50 -0.01 0.28 -0.51 4.01 3.27 3h41A1 GLY 297 HA3 -0.24 0.16 0.57 -0.51 4.01 4.00 3h41A1 ASP 298 H -0.02 0.15 0.12 -0.55 8.40 8.10 3h41A1 ASP 298 HA 0.02 0.03 0.33 -0.75 4.63 4.25 3h41A1 ASP 298 HB2 -0.06 0.19 -0.13 -0.04 2.71 2.67 3h41A1 ASP 298 HB3 -0.02 0.01 0.18 -0.04 2.70 2.83 3h41A1 GLY 299 H 0.18 0.02 -0.41 -0.55 8.43 7.68 3h41A1 GLY 299 HA2 0.24 -0.01 0.24 -0.51 4.01 3.97 3h41A1 GLY 299 HA3 0.08 0.10 0.34 -0.51 4.01 4.02 3h41A1 ASN 300 H -0.11 0.45 -0.46 -0.55 8.53 7.87 3h41A1 ASN 300 HA -0.00 0.18 0.78 -0.75 4.76 4.95 3h41A1 ASN 300 HB2 -0.10 0.12 -0.07 -0.04 2.88 2.79 3h41A1 ASN 300 HB3 -0.06 0.05 -0.06 -0.04 2.79 2.68 3h41A1 ASN 300 HD21 -0.03 -0.03 -0.11 -0.04 7.03 6.82 3h41A1 ASN 300 HD22 -0.05 0.03 -0.12 -0.04 7.74 7.56 3h41A1 ILE 302 HA 0.02 0.08 0.41 -0.75 4.18 3.94 3h41A1 ILE 302 HB 0.06 -0.08 -0.03 -0.04 1.89 1.80 3h41A1 ILE 302 HG12 0.36 0.00 -0.23 -0.04 1.49 1.58 3h41A1 ILE 302 HG13 0.13 0.04 -0.17 -0.04 1.21 1.17 3h41A1 ILE 302 HG23 0.13 0.00 -0.08 -0.04 0.93 0.93 3h41A1 ILE 302 HD13 0.17 0.02 -0.33 -0.04 0.88 0.70 3h41A1 HIS 303 H 0.22 0.51 0.31 -0.55 8.41 8.90 3h41A1 HIS 303 HA 0.18 0.07 0.42 -0.75 4.63 4.54 3h41A1 HIS 303 HB2 0.17 0.06 0.07 -0.04 3.26 3.52 3h41A1 HIS 303 HB3 0.13 0.09 -0.01 -0.04 3.20 3.36 3h41A1 HIS 303 HD2 -0.01 0.08 0.06 -0.04 6.97 7.06 3h41A1 HIS 303 HE1 -0.49 -0.04 -0.15 -0.04 7.75 7.02 3h41A1 SER 304 H -0.06 0.20 0.03 -0.55 8.46 8.08 3h41A1 SER 304 HA -0.13 0.20 0.65 -0.75 4.49 4.45 3h41A1 SER 304 HB2 -0.52 0.04 0.01 -0.04 3.95 3.45 3h41A1 SER 304 HB3 -0.02 -0.04 0.04 -0.04 3.93 3.86 3h41A1 PRO 305 HA -0.03 0.16 -0.13 -0.51 4.44 3.93 3h41A1 PRO 305 HB2 -0.31 -0.03 -0.14 -0.04 2.28 1.76 3h41A1 PRO 305 HB3 -1.38 0.06 -0.13 -0.04 2.02 0.52 3h41A1 PRO 305 HG2 -0.16 -0.10 0.03 -0.04 2.03 1.76 3h41A1 PRO 305 HG3 -0.17 0.10 -0.03 -0.04 2.03 1.88 3h41A1 PRO 305 HD2 -0.03 0.08 -0.21 -0.04 3.68 3.48 3h41A1 PRO 305 HD3 -0.15 0.34 -0.11 -0.04 3.65 3.70 3h41A1 ARG 306 H -0.32 0.35 0.09 -0.55 8.46 8.04 3h41A1 ARG 306 HA -1.10 0.00 0.50 -0.75 4.34 2.98 3h41A1 ARG 306 HB2 -0.27 0.00 0.10 -0.04 1.90 1.70 3h41A1 ARG 306 HB3 -0.25 0.00 -0.11 -0.04 1.80 1.40 3h41A1 ARG 306 HG2 -0.17 0.00 -0.21 -0.04 1.67 1.25 3h41A1 ARG 306 HG3 -0.17 -0.16 -0.22 -0.04 1.67 1.07 3h41A1 ARG 306 HD2 -0.08 0.04 -0.10 -0.04 3.22 3.04 3h41A1 ARG 306 HD3 -0.11 0.00 -0.06 -0.04 3.22 3.01 3h41A1 ALA 307 H -0.41 0.18 0.11 -0.55 8.40 7.73 3h41A1 ALA 307 HA 0.08 0.21 0.21 -0.75 4.34 4.09 3h41A1 ALA 307 HB3 0.03 0.01 0.05 -0.04 1.41 1.46 3h41A1 GLU 308 H -0.12 -0.04 -0.33 -0.55 8.60 7.56 3h41A1 GLU 308 HA -0.02 0.08 0.45 -0.75 4.29 4.04 3h41A1 GLU 308 HB2 -0.07 -0.03 -0.03 -0.04 2.09 1.92 3h41A1 GLU 308 HB3 -0.03 0.04 0.06 -0.04 1.99 2.02 3h41A1 GLU 308 HG2 -0.04 0.02 0.01 -0.04 2.34 2.29 3h41A1 GLU 308 HG3 -0.03 0.01 0.02 -0.04 2.34 2.29 3h41A1 ARG 309 H -0.07 0.45 -0.35 -0.55 8.46 7.93 3h41A1 ARG 309 HA 0.00 0.20 0.82 -0.75 4.34 4.61 3h41A1 ARG 309 HB2 -0.07 -0.08 0.03 -0.04 1.90 1.74 3h41A1 ARG 309 HB3 -0.01 -0.00 0.14 -0.04 1.80 1.88 3h41A1 ARG 309 HG2 -0.02 0.23 -0.61 -0.04 1.67 1.23 3h41A1 ARG 309 HG3 -0.05 -0.13 -0.26 -0.04 1.67 1.19 3h41A1 ARG 309 HD2 0.00 0.05 -0.03 -0.04 3.22 3.20 3h41A1 ARG 309 HD3 -0.00 -0.03 -0.08 -0.04 3.22 3.07 3h41A1 SER 310 H 0.02 0.20 0.14 -0.55 8.46 8.27 3h41A1 SER 310 HA 0.08 0.16 0.78 -0.75 4.49 4.75 3h41A1 SER 310 HB2 0.04 -0.04 -0.12 -0.04 3.95 3.79 3h41A1 SER 310 HB3 0.06 -0.05 -0.54 -0.04 3.93 3.37 3h41A1 VAL 311 H 0.04 0.58 0.19 -0.55 8.24 8.51 3h41A1 VAL 311 HA -0.12 0.22 0.66 -0.75 4.13 4.14 3h41A1 VAL 311 HB 0.06 0.11 0.06 -0.04 2.12 2.31 3h41A1 VAL 311 HG13 -0.08 0.02 -0.33 -0.04 0.97 0.54 3h41A1 VAL 311 HG23 -0.23 0.02 0.02 -0.04 0.95 0.73 3h41A1 GLU 312 H 0.07 0.56 0.44 -0.55 8.60 9.12 3h41A1 GLU 312 HA 0.05 0.10 0.88 -0.75 4.29 4.56 3h41A1 GLU 312 HB2 0.05 -0.04 0.01 -0.04 2.09 2.07 3h41A1 GLU 312 HB3 0.05 0.11 -0.26 -0.04 1.99 1.85 3h41A1 GLU 312 HG2 0.20 0.09 0.05 -0.04 2.34 2.64 3h41A1 GLU 312 HG3 0.20 -0.07 -0.45 -0.04 2.34 1.99 3h41A1 ILE 313 H 0.02 0.20 0.18 -0.55 8.25 8.10 3h41A1 ILE 313 HA -0.03 0.19 0.96 -0.75 4.18 4.55 3h41A1 ILE 313 HB 0.00 -0.03 0.13 -0.04 1.89 1.95 3h41A1 ILE 313 HG12 0.01 0.09 -0.04 -0.04 1.49 1.50 3h41A1 ILE 313 HG13 0.04 -0.03 -0.27 -0.04 1.21 0.90 3h41A1 ILE 313 HG23 -0.03 -0.01 -0.17 -0.04 0.93 0.68 3h41A1 ILE 313 HD13 0.01 0.01 -0.06 -0.04 0.88 0.79 3h41A1 ILE 314 H -0.15 0.29 0.17 -0.55 8.25 8.01 3h41A1 ILE 314 HA -0.05 0.18 0.78 -0.75 4.18 4.32 3h41A1 ILE 314 HB -0.10 0.05 0.06 -0.04 1.89 1.86 3h41A1 ILE 314 HG12 -0.43 -0.03 -0.15 -0.04 1.49 0.84 3h41A1 ILE 314 HG13 -0.36 0.08 -0.32 -0.04 1.21 0.57 3h41A1 ILE 314 HG23 -0.01 -0.02 -0.24 -0.04 0.93 0.62 3h41A1 ILE 314 HD13 -0.46 -0.02 -0.12 -0.04 0.88 0.24 3h41A1 PRO 315 HA -0.01 0.18 0.58 -0.51 4.44 4.68 3h41A1 PRO 315 HB2 -0.00 -0.01 -0.34 -0.04 2.28 1.89 3h41A1 PRO 315 HB3 0.01 0.04 0.03 -0.04 2.02 2.06 3h41A1 PRO 315 HG2 -0.01 0.04 0.01 -0.04 2.03 2.03 3h41A1 PRO 315 HG3 -0.01 0.05 0.00 -0.04 2.03 2.04 3h41A1 PRO 315 HD2 -0.04 0.08 0.15 -0.04 3.68 3.83 3h41A1 PRO 315 HD3 -0.03 0.15 0.13 -0.04 3.65 3.86 3h41A1 LEU 316 H 0.06 0.75 0.33 -0.55 8.37 8.96 3h41A1 LEU 316 HA 0.07 0.09 0.41 -0.75 4.35 4.18 3h41A1 LEU 316 HB2 0.18 0.04 -0.01 -0.04 1.64 1.81 3h41A1 LEU 316 HB3 0.10 -0.02 0.08 -0.04 1.64 1.76 3h41A1 LEU 316 HG 0.10 -0.04 -0.20 -0.04 1.64 1.46 3h41A1 LEU 316 HD13 0.41 0.00 -0.06 -0.04 0.93 1.24 3h41A1 LEU 316 HD23 -0.02 -0.00 -0.08 -0.04 0.89 0.75 3h41A1 ASN 317 H 0.04 0.14 -0.16 -0.55 8.53 8.00 3h41A1 ASN 317 HA 0.06 0.08 0.49 -0.75 4.76 4.64 3h41A1 ASN 317 HB2 0.02 -0.01 0.07 -0.04 2.88 2.93 3h41A1 ASN 317 HB3 0.02 0.02 0.13 -0.04 2.79 2.93 3h41A1 ASN 317 HD21 0.02 -0.02 -0.00 -0.04 7.03 6.99 3h41A1 ASN 317 HD22 0.02 0.01 0.03 -0.04 7.74 7.76 3h41A1 THR 318 H 0.07 0.50 -0.36 -0.55 8.28 7.94 3h41A1 THR 318 HA 0.04 0.18 0.80 -0.75 4.39 4.66 3h41A1 THR 318 HB 0.00 -0.03 0.02 -0.04 4.32 4.27 3h41A1 THR 318 HG23 0.12 0.02 -0.05 -0.04 1.22 1.28 3h41A1 PRO 319 HA 0.05 -0.04 0.44 -0.51 4.44 4.38 3h41A1 PRO 319 HB2 0.03 0.03 0.04 -0.04 2.28 2.34 3h41A1 PRO 319 HB3 0.03 0.02 0.05 -0.04 2.02 2.08 3h41A1 PRO 319 HG2 0.03 0.06 0.08 -0.04 2.03 2.15 3h41A1 PRO 319 HG3 0.03 0.05 0.06 -0.04 2.03 2.13 3h41A1 PRO 319 HD2 0.05 0.12 0.21 -0.04 3.68 4.02 3h41A1 PRO 319 HD3 0.04 0.26 0.11 -0.04 3.65 4.02 3h41A1 GLY 320 H 0.03 0.11 0.08 -0.55 8.43 8.10 3h41A1 GLY 320 HA2 -0.04 0.01 0.35 -0.51 4.01 3.82 3h41A1 GLY 320 HA3 -0.13 0.22 0.71 -0.51 4.01 4.31 3h41A1 TYR 321 H 0.11 0.41 -0.48 -0.55 8.29 7.77 3h41A1 TYR 321 HA -0.23 0.03 0.25 -0.75 4.56 3.85 3h41A1 TYR 321 HB2 -0.11 0.14 0.11 -0.04 3.06 3.17 3h41A1 TYR 321 HB3 -0.45 0.03 -0.04 -0.04 2.98 2.48 3h41A1 TYR 321 HD2 -0.82 0.03 -0.13 -0.04 7.15 6.20 3h41A1 TYR 321 HE2 -0.43 -0.00 -0.11 -0.04 6.85 6.27 3h41A1 ILE 322 H 0.18 0.44 -0.04 -0.55 8.25 8.28 3h41A1 ILE 322 HA 0.30 0.11 0.28 -0.75 4.18 4.11 3h41A1 ILE 322 HB 0.12 0.08 0.10 -0.04 1.89 2.15 3h41A1 ILE 322 HG12 0.04 -0.04 -0.05 -0.04 1.49 1.40 3h41A1 ILE 322 HG13 0.06 0.00 -0.06 -0.04 1.21 1.18 3h41A1 ILE 322 HG23 0.08 -0.02 -0.14 -0.04 0.93 0.81 3h41A1 ILE 322 HD13 0.05 0.02 -0.06 -0.04 0.88 0.84 3h41A1 GLU 323 H 0.12 0.00 -0.35 -0.55 8.60 7.82 3h41A1 GLU 323 HA 0.11 0.11 0.38 -0.75 4.29 4.13 3h41A1 GLU 323 HB2 0.07 0.04 0.05 -0.04 2.09 2.21 3h41A1 GLU 323 HB3 0.07 -0.00 0.05 -0.04 1.99 2.07 3h41A1 GLU 323 HG2 0.05 0.01 0.02 -0.04 2.34 2.38 3h41A1 GLU 323 HG3 0.06 0.05 -0.00 -0.04 2.34 2.41 3h41A1 GLU 324 H 0.22 0.36 -0.37 -0.55 8.60 8.27 3h41A1 GLU 324 HA 0.17 0.06 0.61 -0.75 4.29 4.37 3h41A1 GLU 324 HB2 0.21 0.12 0.06 -0.04 2.09 2.44 3h41A1 GLU 324 HB3 0.23 -0.17 0.12 -0.04 1.99 2.13 3h41A1 GLU 324 HG2 0.13 -0.17 -0.01 -0.04 2.34 2.25 3h41A1 GLU 324 HG3 0.08 0.05 -0.05 -0.04 2.34 2.38 3h41A1 TYR 325 H 0.39 0.25 -0.28 -0.55 8.29 8.10 3h41A1 TYR 325 HA -0.11 0.06 0.49 -0.75 4.56 4.25 3h41A1 TYR 325 HB2 0.16 0.05 0.16 -0.04 3.06 3.39 3h41A1 TYR 325 HB3 0.07 0.03 0.13 -0.04 2.98 3.16 3h41A1 TYR 325 HD2 -0.01 0.05 -0.08 -0.04 7.15 7.07 3h41A1 TYR 325 HE2 -0.07 -0.02 -0.03 -0.04 6.85 6.69 3h41A1 ALA 326 H -0.66 0.64 0.39 -0.55 8.40 8.22 3h41A1 ALA 326 HA -0.09 0.22 0.96 -0.75 4.34 4.68 3h41A1 ALA 326 HB3 -0.05 -0.03 -0.06 -0.04 1.41 1.23 3h41A1 GLY 327 H -1.27 0.01 0.09 -0.55 8.43 6.72 3h41A1 GLY 327 HA2 -0.14 -0.05 0.32 -0.51 4.01 3.63 3h41A1 GLY 327 HA3 -0.13 0.24 0.65 -0.51 4.01 4.27 3h41A1 ALA 328 H 0.01 0.31 0.33 -0.55 8.40 8.50 3h41A1 ALA 328 HA 0.12 0.29 1.01 -0.75 4.34 5.01 3h41A1 ALA 328 HB3 0.05 -0.01 -0.07 -0.04 1.41 1.34 3h41A1 ARG 329 H 0.22 0.63 0.37 -0.55 8.46 9.12 3h41A1 ARG 329 HA -0.00 0.25 0.85 -0.75 4.34 4.69 3h41A1 ARG 329 HB2 0.42 -0.08 0.05 -0.04 1.90 2.25 3h41A1 ARG 329 HB3 -0.13 0.08 -0.08 -0.04 1.80 1.63 3h41A1 ARG 329 HG2 0.02 -0.17 -0.43 -0.04 1.67 1.05 3h41A1 ARG 329 HG3 -0.09 0.10 -0.09 -0.04 1.67 1.54 3h41A1 ARG 329 HD2 -0.18 0.46 -0.41 -0.04 3.22 3.05 3h41A1 ARG 329 HD3 -0.13 -0.14 -0.56 -0.04 3.22 2.35 3h41A1 ARG 330 H -0.09 0.62 0.28 -0.55 8.46 8.72 3h41A1 ARG 330 HA 0.09 0.11 1.01 -0.75 4.34 4.79 3h41A1 ARG 330 HB2 0.03 -0.03 -0.02 -0.04 1.90 1.84 3h41A1 ARG 330 HB3 -0.03 0.02 0.14 -0.04 1.80 1.89 3h41A1 ARG 330 HG2 0.03 0.17 -0.09 -0.04 1.67 1.74 3h41A1 ARG 330 HG3 0.08 -0.06 0.06 -0.04 1.67 1.71 3h41A1 ARG 330 HD2 0.02 -0.02 -0.01 -0.04 3.22 3.16 3h41A1 ARG 330 HD3 0.04 0.04 -0.01 -0.04 3.22 3.25 3h41A1 TYR 331 H 0.19 0.12 0.17 -0.55 8.29 8.22 3h41A1 TYR 331 HA -0.04 0.12 0.80 -0.75 4.56 4.69 3h41A1 TYR 331 HB2 -0.40 0.04 0.01 -0.04 3.06 2.67 3h41A1 TYR 331 HB3 -0.23 0.04 -0.03 -0.04 2.98 2.72 3h41A1 TYR 331 HD2 -0.14 0.01 -0.15 -0.04 7.15 6.82 3h41A1 TYR 331 HE2 -0.01 0.00 -0.11 -0.04 6.85 6.69 3h41A1 LEU 332 H 0.17 -0.09 0.07 -0.55 8.37 7.98 3h41A1 LEU 332 HA 0.14 0.19 0.58 -0.75 4.35 4.51 3h41A1 LEU 332 HB2 0.10 -0.09 0.09 -0.04 1.64 1.69 3h41A1 LEU 332 HB3 0.07 0.10 -0.03 -0.04 1.64 1.74 3h41A1 LEU 332 HG 0.24 -0.07 -0.01 -0.04 1.64 1.75 3h41A1 LEU 332 HD13 0.04 -0.02 -0.04 -0.04 0.93 0.87 3h41A1 LEU 332 HD23 0.07 0.06 -0.06 -0.04 0.89 0.92 3h41A1 PRO 333 HA 0.02 0.13 0.14 -0.51 4.44 4.22 3h41A1 PRO 333 HB2 0.02 -0.02 0.07 -0.04 2.28 2.30 3h41A1 PRO 333 HB3 0.02 0.05 0.05 -0.04 2.02 2.10 3h41A1 PRO 333 HG2 0.03 -0.00 0.06 -0.04 2.03 2.07 3h41A1 PRO 333 HG3 0.03 0.07 0.07 -0.04 2.03 2.17 3h41A1 PRO 333 HD2 0.06 0.11 0.18 -0.04 3.68 4.00 3h41A1 PRO 333 HD3 0.07 0.26 0.19 -0.04 3.65 4.13