============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TYR 2 0.840 25.525 76.682 16.575 -99.200 -91.000 TYR 23 0.840 23.457 61.924 -2.112 -99.200 -91.000 HIS 31 0.900 28.539 53.374 -8.703 -99.200 -91.000 HIS 48 0.900 8.262 45.298 -18.211 -99.200 -91.000 HIS 57 0.900 27.861 59.900 -27.939 -99.200 -91.000 HIS 76 0.900 3.236 61.822 -8.685 -99.200 -91.000 HIS 92 0.900 16.174 59.359 -0.441 -99.200 -91.000 PHE 97 1.000 11.576 54.895 -2.900 -99.200 -91.000 TYR 102 0.840 11.354 48.481 -12.624 -99.200 -91.000 PHE 104 1.000 13.375 38.388 -7.742 -99.200 -91.000 HIS 109 0.900 19.756 53.246 -1.941 -99.200 -91.000 TYR 134 0.840 5.899 61.913 -24.953 -99.200 -91.000 PHE 138 1.000 16.112 67.510 -16.348 -99.200 -91.000 HIS 163 0.900 24.719 62.051 -25.279 -99.200 -91.000 PHE 164 1.000 25.962 60.079 -17.676 -99.200 -91.000 TRP 165 1.040 27.834 66.120 -23.083 -99.200 -91.000 TRP6 165 1.020 25.615 65.708 -23.788 -99.200 -91.000 PHE 170 1.000 29.976 68.417 -8.931 -99.200 -91.000 PHE 171 1.000 32.360 62.492 -11.352 -99.200 -91.000 PHE 176 1.000 31.762 57.998 -18.453 -99.200 -91.000 HIS 183 0.900 34.190 43.226 -14.544 -99.200 -91.000 PHE 199 1.000 31.899 50.772 -24.319 -99.200 -91.000 TRP 210 1.040 30.287 41.506 -24.145 -99.200 -91.000 TRP6 210 1.020 30.473 43.858 -24.048 -99.200 -91.000 TYR 212 0.840 28.094 35.958 -23.007 -99.200 -91.000 TYR 219 0.840 31.693 36.471 -15.915 -99.200 -91.000 PHE 235 1.000 28.816 22.922 -5.811 -99.200 -91.000 PHE 239 1.000 14.989 27.683 -3.366 -99.200 -91.000 TRP 248 1.040 27.037 27.710 -6.417 -99.200 -91.000 TRP6 248 1.020 25.062 27.086 -5.274 -99.200 -91.000 TRP 252 1.040 37.829 25.816 -3.388 -99.200 -91.000 TRP6 252 1.020 35.806 24.667 -3.834 -99.200 -91.000 TYR 264 0.840 27.960 40.515 -10.693 -99.200 -91.000 HIS 276 0.900 26.064 39.291 -1.710 -99.200 -91.000 PHE 291 1.000 33.729 14.131 1.585 -99.200 -91.000 TYR 294 0.840 28.864 9.677 7.068 -99.200 -91.000 TRP 310 1.040 36.247 33.323 1.015 -99.200 -91.000 TRP6 310 1.020 34.325 32.846 -0.278 -99.200 -91.000 TYR 315 0.840 33.192 34.377 -4.719 -99.200 -91.000 PHE 326 1.000 22.287 46.627 -2.910 -99.200 -91.000 PHE 342 1.000 18.115 32.504 -0.627 -99.200 -91.000 PHE 351 1.000 31.409 21.843 -1.531 -99.200 -91.000 TRP 354 1.040 29.438 18.404 -7.181 -99.200 -91.000 TRP6 354 1.020 31.726 18.362 -6.584 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1s16A1 THR 1004 HA 0.06 -0.05 0.16 -0.75 4.39 3.81 1s16A1 THR 1004 HB 0.03 -0.09 -0.03 -0.04 4.32 4.19 1s16A1 THR 1004 HG23 0.02 0.01 0.01 -0.04 1.22 1.22 1s16A1 TYR 1005 H 0.11 0.12 -0.06 -0.55 8.29 7.90 1s16A1 TYR 1005 HA 0.00 0.19 0.77 -0.75 4.56 4.77 1s16A1 TYR 1005 HB2 0.00 0.08 -0.11 -0.04 3.06 2.99 1s16A1 TYR 1005 HB3 0.00 -0.05 0.14 -0.04 2.98 3.03 1s16A1 TYR 1005 HD2 0.00 0.02 0.05 -0.04 7.15 7.17 1s16A1 TYR 1005 HE2 0.00 0.00 -0.04 -0.04 6.85 6.78 1s16A1 ASN 1006 H -0.03 0.16 -0.08 -0.55 8.53 8.03 1s16A1 ASN 1006 HA -0.16 0.26 0.83 -0.75 4.76 4.93 1s16A1 ASN 1006 HB2 -0.04 0.00 0.03 -0.04 2.88 2.84 1s16A1 ASN 1006 HB3 -0.05 -0.12 0.19 -0.04 2.79 2.77 1s16A1 ASN 1006 HD21 -0.00 0.04 -0.03 -0.04 7.03 7.00 1s16A1 ASN 1006 HD22 -0.01 0.01 -0.02 -0.04 7.74 7.69 1s16A1 ALA 1007 H -0.08 0.17 0.15 -0.55 8.40 8.09 1s16A1 ALA 1007 HA -0.10 0.11 0.39 -0.75 4.34 3.98 1s16A1 ALA 1007 HB3 -0.05 0.02 0.11 -0.04 1.41 1.46 1s16A1 ASP 1008 H -0.04 0.02 -0.24 -0.55 8.40 7.60 1s16A1 ASP 1008 HA -0.01 0.13 0.34 -0.75 4.63 4.33 1s16A1 ASP 1008 HB2 -0.00 0.06 0.06 -0.04 2.71 2.79 1s16A1 ASP 1008 HB3 -0.01 -0.03 0.06 -0.04 2.70 2.68 1s16A1 ALA 1009 H -0.05 0.45 -0.64 -0.55 8.40 7.61 1s16A1 ALA 1009 HA 0.04 0.08 0.47 -0.75 4.34 4.17 1s16A1 ALA 1009 HB3 0.07 -0.01 0.03 -0.04 1.41 1.46 1s16A1 ILE 1010 H -0.03 0.48 -0.15 -0.55 8.25 8.00 1s16A1 ILE 1010 HA 0.02 0.05 0.65 -0.75 4.18 4.15 1s16A1 ILE 1010 HB -0.02 0.06 0.15 -0.04 1.89 2.04 1s16A1 ILE 1010 HG12 -0.08 0.02 0.04 -0.04 1.49 1.43 1s16A1 ILE 1010 HG13 -0.05 -0.05 0.01 -0.04 1.21 1.08 1s16A1 ILE 1010 HG23 0.00 -0.02 -0.14 -0.04 0.93 0.74 1s16A1 ILE 1010 HD13 0.01 0.01 -0.12 -0.04 0.88 0.73 1s16A1 GLU 1011 H 0.02 0.16 0.18 -0.55 8.60 8.42 1s16A1 GLU 1011 HA 0.01 0.17 0.84 -0.75 4.29 4.56 1s16A1 GLU 1011 HB2 0.02 -0.03 0.07 -0.04 2.09 2.11 1s16A1 GLU 1011 HB3 0.02 -0.02 -0.06 -0.04 1.99 1.88 1s16A1 GLU 1011 HG2 0.02 0.05 -0.13 -0.04 2.34 2.23 1s16A1 GLU 1011 HG3 0.03 0.13 -0.14 -0.04 2.34 2.31 1s16A1 VAL 1012 H 0.01 0.21 0.08 -0.55 8.24 7.98 1s16A1 VAL 1012 HA 0.01 0.17 0.90 -0.75 4.13 4.45 1s16A1 VAL 1012 HB 0.00 -0.02 0.14 -0.04 2.12 2.20 1s16A1 VAL 1012 HG13 0.01 0.01 -0.13 -0.04 0.97 0.81 1s16A1 VAL 1012 HG23 0.00 0.02 -0.14 -0.04 0.95 0.79 1s16A1 LEU 1013 H 0.02 0.19 0.07 -0.55 8.37 8.10 1s16A1 LEU 1013 HA 0.01 0.08 0.60 -0.75 4.35 4.29 1s16A1 LEU 1013 HB2 0.02 -0.00 0.05 -0.04 1.64 1.67 1s16A1 LEU 1013 HB3 0.01 -0.03 -0.11 -0.04 1.64 1.47 1s16A1 LEU 1013 HG 0.02 0.03 -0.08 -0.04 1.64 1.57 1s16A1 LEU 1013 HD13 0.02 0.01 -0.12 -0.04 0.93 0.81 1s16A1 LEU 1013 HD23 0.02 0.01 -0.15 -0.04 0.89 0.73 1s16A1 THR 1014 H 0.00 0.16 0.20 -0.55 8.28 8.10 1s16A1 THR 1014 HA 0.00 0.26 0.94 -0.75 4.39 4.84 1s16A1 THR 1014 HB 0.00 -0.05 0.13 -0.04 4.32 4.35 1s16A1 THR 1014 HG23 0.01 0.04 -0.22 -0.04 1.22 1.00 1s16A1 GLY 1015 H -0.01 0.16 0.18 -0.55 8.43 8.21 1s16A1 GLY 1015 HA2 -0.02 0.13 0.45 -0.51 4.01 4.05 1s16A1 GLY 1015 HA3 -0.02 0.02 0.55 -0.51 4.01 4.05 1s16A1 LEU 1016 H -0.04 0.17 0.28 -0.55 8.37 8.24 1s16A1 LEU 1016 HA -0.14 0.14 0.79 -0.75 4.35 4.39 1s16A1 LEU 1016 HB2 -0.06 0.05 0.11 -0.04 1.64 1.70 1s16A1 LEU 1016 HB3 -0.13 -0.05 0.17 -0.04 1.64 1.59 1s16A1 LEU 1016 HG -0.08 0.05 0.05 -0.04 1.64 1.63 1s16A1 LEU 1016 HD13 -0.11 0.04 0.08 -0.04 0.93 0.89 1s16A1 LEU 1016 HD23 -0.15 0.01 -0.18 -0.04 0.89 0.53 1s16A1 GLU 1017 H -0.04 0.39 0.02 -0.55 8.60 8.43 1s16A1 GLU 1017 HA -0.02 0.05 0.38 -0.75 4.29 3.95 1s16A1 GLU 1017 HB2 -0.01 0.04 0.09 -0.04 2.09 2.17 1s16A1 GLU 1017 HB3 0.00 -0.03 0.01 -0.04 1.99 1.94 1s16A1 GLU 1017 HG2 0.01 0.00 0.09 -0.04 2.34 2.40 1s16A1 GLU 1017 HG3 -0.01 0.01 0.20 -0.04 2.34 2.50 1s16A1 PRO 1018 HA 0.02 0.06 0.41 -0.51 4.44 4.42 1s16A1 PRO 1018 HB2 0.08 0.04 -0.10 -0.04 2.28 2.25 1s16A1 PRO 1018 HB3 0.04 0.03 -0.01 -0.04 2.02 2.05 1s16A1 PRO 1018 HG2 -0.13 0.03 -0.13 -0.04 2.03 1.76 1s16A1 PRO 1018 HG3 -0.01 0.09 -0.14 -0.04 2.03 1.93 1s16A1 PRO 1018 HD2 -0.06 0.08 -0.65 -0.04 3.68 3.01 1s16A1 PRO 1018 HD3 -0.01 0.05 -0.34 -0.04 3.65 3.31 1s16A1 VAL 1019 H -0.23 0.30 -0.38 -0.55 8.24 7.39 1s16A1 VAL 1019 HA -0.25 0.08 0.30 -0.75 4.13 3.50 1s16A1 VAL 1019 HB -0.30 0.17 0.07 -0.04 2.12 2.02 1s16A1 VAL 1019 HG13 -0.29 -0.02 -0.11 -0.04 0.97 0.51 1s16A1 VAL 1019 HG23 -0.94 -0.02 -0.06 -0.04 0.95 -0.11 1s16A1 ARG 1020 H -0.12 0.35 -0.13 -0.55 8.46 8.00 1s16A1 ARG 1020 HA -0.32 0.07 0.38 -0.75 4.34 3.71 1s16A1 ARG 1020 HB2 -0.00 -0.01 0.08 -0.04 1.90 1.93 1s16A1 ARG 1020 HB3 0.13 -0.03 0.03 -0.04 1.80 1.88 1s16A1 ARG 1020 HG2 -0.11 0.12 -0.03 -0.04 1.67 1.62 1s16A1 ARG 1020 HG3 -0.12 -0.05 -0.04 -0.04 1.67 1.42 1s16A1 ARG 1020 HD2 0.02 0.11 -0.00 -0.04 3.22 3.30 1s16A1 ARG 1020 HD3 0.02 -0.12 -0.05 -0.04 3.22 3.03 1s16A1 ARG 1021 H -0.01 0.38 -0.30 -0.55 8.46 7.98 1s16A1 ARG 1021 HA 0.06 0.08 0.60 -0.75 4.34 4.33 1s16A1 ARG 1021 HB2 0.03 0.05 0.06 -0.04 1.90 1.99 1s16A1 ARG 1021 HB3 0.03 -0.01 0.04 -0.04 1.80 1.82 1s16A1 ARG 1021 HG2 0.03 -0.06 -0.03 -0.04 1.67 1.57 1s16A1 ARG 1021 HG3 0.03 -0.02 -0.04 -0.04 1.67 1.60 1s16A1 ARG 1021 HD2 0.04 0.04 0.09 -0.04 3.22 3.36 1s16A1 ARG 1021 HD3 0.04 -0.01 -0.01 -0.04 3.22 3.20 1s16A1 ARG 1022 H 0.04 0.56 -0.19 -0.55 8.46 8.32 1s16A1 ARG 1022 HA 0.04 0.16 0.90 -0.75 4.34 4.69 1s16A1 ARG 1022 HB2 0.12 0.10 0.18 -0.04 1.90 2.26 1s16A1 ARG 1022 HB3 0.04 -0.15 0.13 -0.04 1.80 1.78 1s16A1 ARG 1022 HG2 0.05 -0.03 -0.25 -0.04 1.67 1.39 1s16A1 ARG 1022 HG3 0.04 -0.05 -0.02 -0.04 1.67 1.59 1s16A1 ARG 1022 HD2 0.02 -0.10 0.03 -0.04 3.22 3.14 1s16A1 ARG 1022 HD3 0.03 0.41 0.00 -0.04 3.22 3.62 1s16A1 PRO 1023 HA -0.03 0.10 0.43 -0.51 4.44 4.43 1s16A1 PRO 1023 HB2 -0.06 -0.02 0.01 -0.04 2.28 2.18 1s16A1 PRO 1023 HB3 -0.24 0.00 0.04 -0.04 2.02 1.79 1s16A1 PRO 1023 HG2 0.18 0.05 0.01 -0.04 2.03 2.23 1s16A1 PRO 1023 HG3 -0.13 0.19 -0.02 -0.04 2.03 2.03 1s16A1 PRO 1023 HD2 0.03 -0.00 0.05 -0.04 3.68 3.72 1s16A1 PRO 1023 HD3 0.05 0.25 -0.92 -0.04 3.65 2.98 1s16A1 GLY 1024 H -0.00 0.20 -0.15 -0.55 8.43 7.93 1s16A1 GLY 1024 HA2 -0.03 0.05 0.36 -0.51 4.01 3.88 1s16A1 GLY 1024 HA3 -0.02 0.04 0.29 -0.51 4.01 3.81 1s16A1 MET 1025 H -0.03 0.33 -0.41 -0.55 8.47 7.81 1s16A1 MET 1025 HA -0.15 0.06 0.57 -0.75 4.52 4.25 1s16A1 MET 1025 HB2 -0.13 -0.04 0.05 -0.04 2.15 2.00 1s16A1 MET 1025 HB3 -0.26 0.21 0.05 -0.04 2.03 1.99 1s16A1 MET 1025 HG2 -0.58 -0.05 0.02 -0.04 2.63 1.98 1s16A1 MET 1025 HG3 -0.22 -0.04 0.09 -0.04 2.56 2.35 1s16A1 MET 1025 HE3 -0.19 -0.01 -0.01 -0.04 2.10 1.84 1s16A1 TYR 1026 H 0.03 0.47 -0.17 -0.55 8.29 8.08 1s16A1 TYR 1026 HA -0.05 0.09 0.99 -0.75 4.56 4.84 1s16A1 TYR 1026 HB2 -0.09 0.15 0.06 -0.04 3.06 3.15 1s16A1 TYR 1026 HB3 -0.06 -0.09 0.02 -0.04 2.98 2.81 1s16A1 TYR 1026 HD2 -0.07 0.11 -0.03 -0.04 7.15 7.12 1s16A1 TYR 1026 HE2 -0.07 0.01 -0.15 -0.04 6.85 6.60 1s16A1 THR 1027 H 0.00 0.45 0.03 -0.55 8.28 8.21 1s16A1 THR 1027 HA -0.03 0.06 0.51 -0.75 4.39 4.18 1s16A1 THR 1027 HB 0.08 0.07 -0.42 -0.04 4.32 4.01 1s16A1 THR 1027 HG23 0.06 0.04 -0.42 -0.04 1.22 0.86 1s16A1 ASP 1028 H 0.04 0.11 0.08 -0.55 8.40 8.08 1s16A1 ASP 1028 HA -0.02 0.16 0.75 -0.75 4.63 4.77 1s16A1 ASP 1028 HB2 -0.12 0.05 0.12 -0.04 2.71 2.72 1s16A1 ASP 1028 HB3 0.11 -0.07 0.27 -0.04 2.70 2.97 1s16A1 THR 1029 H 0.03 0.26 0.09 -0.55 8.28 8.11 1s16A1 THR 1029 HA 0.12 0.17 0.45 -0.75 4.39 4.38 1s16A1 THR 1029 HB -0.06 0.17 0.21 -0.04 4.32 4.60 1s16A1 THR 1029 HG23 -0.13 0.02 -0.15 -0.04 1.22 0.93 1s16A1 THR 1030 H 0.11 -0.01 -0.42 -0.55 8.28 7.41 1s16A1 THR 1030 HA 0.08 0.09 0.50 -0.75 4.39 4.30 1s16A1 THR 1030 HB 0.06 -0.05 0.07 -0.04 4.32 4.35 1s16A1 THR 1030 HG23 0.03 0.01 -0.03 -0.04 1.22 1.20 1s16A1 ARG 1031 H 0.14 0.30 0.01 -0.55 8.46 8.37 1s16A1 ARG 1031 HA -0.04 0.45 0.58 -0.75 4.34 4.58 1s16A1 ARG 1031 HB2 -0.17 0.19 0.12 -0.04 1.90 2.01 1s16A1 ARG 1031 HB3 -0.03 0.13 -0.07 -0.04 1.80 1.79 1s16A1 ARG 1031 HG2 0.01 -0.05 -0.08 -0.04 1.67 1.51 1s16A1 ARG 1031 HG3 -0.05 -0.30 -0.10 -0.04 1.67 1.18 1s16A1 ARG 1031 HD2 0.00 -0.05 0.01 -0.04 3.22 3.14 1s16A1 ARG 1031 HD3 -0.03 -0.08 0.05 -0.04 3.22 3.13 1s16A1 PRO 1032 HA -0.67 0.13 0.54 -0.51 4.44 3.93 1s16A1 PRO 1032 HB2 -0.73 -0.04 0.09 -0.04 2.28 1.56 1s16A1 PRO 1032 HB3 -1.19 0.09 0.06 -0.04 2.02 0.95 1s16A1 PRO 1032 HG2 -1.88 -0.12 -0.15 -0.04 2.03 -0.16 1s16A1 PRO 1032 HG3 -0.88 0.32 -0.02 -0.04 2.03 1.42 1s16A1 PRO 1032 HD2 -0.46 0.25 -0.07 -0.04 3.68 3.36 1s16A1 PRO 1032 HD3 -0.62 0.30 0.13 -0.04 3.65 3.42 1s16A1 ASN 1033 H -0.22 0.15 -0.38 -0.55 8.53 7.53 1s16A1 ASN 1033 HA 0.27 0.06 0.34 -0.75 4.76 4.68 1s16A1 ASN 1033 HB2 0.03 0.04 0.07 -0.04 2.88 2.97 1s16A1 ASN 1033 HB3 0.06 0.06 -0.07 -0.04 2.79 2.80 1s16A1 ASN 1033 HD21 0.10 0.34 0.14 -0.04 7.03 7.57 1s16A1 ASN 1033 HD22 0.07 0.03 -0.06 -0.04 7.74 7.74 1s16A1 HIS 1034 H 0.14 0.26 -0.15 -0.55 8.41 8.11 1s16A1 HIS 1034 HA 0.04 0.07 0.42 -0.75 4.63 4.41 1s16A1 HIS 1034 HB2 0.04 0.03 0.18 -0.04 3.26 3.47 1s16A1 HIS 1034 HB3 0.06 0.01 0.04 -0.04 3.20 3.27 1s16A1 HIS 1034 HD2 0.01 -0.02 0.03 -0.04 6.97 6.95 1s16A1 HIS 1034 HE1 -0.05 0.11 0.04 -0.04 7.75 7.81 1s16A1 LEU 1035 H 0.13 0.28 -0.26 -0.55 8.37 7.98 1s16A1 LEU 1035 HA 0.03 0.04 0.40 -0.75 4.35 4.07 1s16A1 LEU 1035 HB2 0.13 0.21 0.19 -0.04 1.64 2.14 1s16A1 LEU 1035 HB3 0.06 -0.01 -0.06 -0.04 1.64 1.60 1s16A1 LEU 1035 HG -0.05 -0.05 -0.03 -0.04 1.64 1.48 1s16A1 LEU 1035 HD13 0.20 0.01 -0.11 -0.04 0.93 0.98 1s16A1 LEU 1035 HD23 0.28 0.02 -0.03 -0.04 0.89 1.11 1s16A1 GLY 1036 H 0.30 0.37 -0.21 -0.55 8.43 8.35 1s16A1 GLY 1036 HA2 0.37 0.01 0.35 -0.51 4.01 4.22 1s16A1 GLY 1036 HA3 0.30 0.05 0.29 -0.51 4.01 4.14 1s16A1 GLN 1037 H -0.04 0.40 -0.17 -0.55 8.47 8.11 1s16A1 GLN 1037 HA -0.08 -0.00 0.44 -0.75 4.36 3.96 1s16A1 GLN 1037 HB2 -0.51 0.11 0.18 -0.04 2.15 1.89 1s16A1 GLN 1037 HB3 -0.27 0.01 0.03 -0.04 2.02 1.75 1s16A1 GLN 1037 HG2 -0.11 0.00 0.01 -0.04 2.40 2.26 1s16A1 GLN 1037 HG3 -0.09 0.03 -0.02 -0.04 2.39 2.27 1s16A1 GLN 1037 HE21 0.00 -0.01 -0.09 -0.04 6.97 6.83 1s16A1 GLN 1037 HE22 -0.03 -0.04 -0.22 -0.04 7.69 7.35 1s16A1 GLU 1038 H -0.08 0.52 -0.22 -0.55 8.60 8.27 1s16A1 GLU 1038 HA -0.07 0.01 0.38 -0.75 4.29 3.87 1s16A1 GLU 1038 HB2 -0.09 0.17 0.07 -0.04 2.09 2.21 1s16A1 GLU 1038 HB3 -0.06 -0.24 -0.09 -0.04 1.99 1.56 1s16A1 GLU 1038 HG2 0.03 0.31 0.13 -0.04 2.34 2.77 1s16A1 GLU 1038 HG3 0.01 0.03 0.02 -0.04 2.34 2.37 1s16A1 VAL 1039 H -0.06 0.42 -0.21 -0.55 8.24 7.84 1s16A1 VAL 1039 HA -0.04 -0.02 0.39 -0.75 4.13 3.71 1s16A1 VAL 1039 HB 0.06 0.13 0.11 -0.04 2.12 2.39 1s16A1 VAL 1039 HG13 0.06 -0.01 -0.04 -0.04 0.97 0.94 1s16A1 VAL 1039 HG23 -0.17 0.06 0.01 -0.04 0.95 0.81 1s16A1 ILE 1040 H -0.00 0.66 -0.01 -0.55 8.25 8.34 1s16A1 ILE 1040 HA 0.01 -0.00 0.37 -0.75 4.18 3.80 1s16A1 ILE 1040 HB -0.04 0.04 0.13 -0.04 1.89 1.99 1s16A1 ILE 1040 HG12 0.01 -0.04 -0.02 -0.04 1.49 1.40 1s16A1 ILE 1040 HG13 0.02 0.11 0.06 -0.04 1.21 1.36 1s16A1 ILE 1040 HG23 -0.03 -0.00 -0.15 -0.04 0.93 0.70 1s16A1 ILE 1040 HD13 -0.03 -0.03 -0.16 -0.04 0.88 0.62 1s16A1 ASP 1041 H -0.05 0.80 -0.16 -0.55 8.40 8.44 1s16A1 ASP 1041 HA -0.04 0.05 0.38 -0.75 4.63 4.27 1s16A1 ASP 1041 HB2 -0.07 0.10 0.14 -0.04 2.71 2.84 1s16A1 ASP 1041 HB3 -0.07 -0.13 -0.02 -0.04 2.70 2.43 1s16A1 ASN 1042 H -0.05 0.47 -0.23 -0.55 8.53 8.18 1s16A1 ASN 1042 HA -0.09 -0.03 0.47 -0.75 4.76 4.36 1s16A1 ASN 1042 HB2 -0.02 0.21 0.17 -0.04 2.88 3.20 1s16A1 ASN 1042 HB3 -0.02 -0.06 0.00 -0.04 2.79 2.68 1s16A1 ASN 1042 HD21 -0.06 -0.22 0.01 -0.04 7.03 6.71 1s16A1 ASN 1042 HD22 -0.04 0.05 -0.01 -0.04 7.74 7.69 1s16A1 SER 1043 H 0.00 0.46 -0.20 -0.55 8.46 8.17 1s16A1 SER 1043 HA 0.05 -0.04 0.48 -0.75 4.49 4.23 1s16A1 SER 1043 HB2 0.02 0.18 0.13 -0.04 3.95 4.24 1s16A1 SER 1043 HB3 0.03 -0.04 0.00 -0.04 3.93 3.88 1s16A1 VAL 1044 H -0.00 0.62 -0.06 -0.55 8.24 8.24 1s16A1 VAL 1044 HA 0.02 0.03 0.41 -0.75 4.13 3.83 1s16A1 VAL 1044 HB -0.02 0.07 0.16 -0.04 2.12 2.29 1s16A1 VAL 1044 HG13 -0.01 0.01 -0.10 -0.04 0.97 0.83 1s16A1 VAL 1044 HG23 -0.02 0.06 -0.02 -0.04 0.95 0.92 1s16A1 ASP 1045 H -0.01 0.50 -0.23 -0.55 8.40 8.12 1s16A1 ASP 1045 HA 0.04 0.09 0.50 -0.75 4.63 4.50 1s16A1 ASP 1045 HB2 -0.17 0.15 0.18 -0.04 2.71 2.83 1s16A1 ASP 1045 HB3 -0.41 -0.01 0.06 -0.04 2.70 2.30 1s16A1 GLU 1046 H 0.13 0.34 -0.30 -0.55 8.60 8.22 1s16A1 GLU 1046 HA 0.33 0.08 0.48 -0.75 4.29 4.42 1s16A1 GLU 1046 HB2 0.12 0.26 0.22 -0.04 2.09 2.65 1s16A1 GLU 1046 HB3 0.15 -0.14 0.05 -0.04 1.99 2.01 1s16A1 GLU 1046 HG2 0.23 0.15 0.07 -0.04 2.34 2.75 1s16A1 GLU 1046 HG3 0.12 -0.13 0.05 -0.04 2.34 2.34 1s16A1 ALA 1047 H 0.07 0.39 -0.14 -0.55 8.40 8.18 1s16A1 ALA 1047 HA 0.03 0.12 0.54 -0.75 4.34 4.29 1s16A1 ALA 1047 HB3 0.02 0.02 0.04 -0.04 1.41 1.46 1s16A1 LEU 1048 H 0.06 0.70 -0.01 -0.55 8.37 8.57 1s16A1 LEU 1048 HA 0.03 0.06 0.42 -0.75 4.35 4.11 1s16A1 LEU 1048 HB2 0.09 0.03 0.24 -0.04 1.64 1.96 1s16A1 LEU 1048 HB3 0.11 -0.02 0.07 -0.04 1.64 1.77 1s16A1 LEU 1048 HG 0.03 0.05 0.00 -0.04 1.64 1.68 1s16A1 LEU 1048 HD13 0.05 -0.04 -0.11 -0.04 0.93 0.78 1s16A1 LEU 1048 HD23 0.03 -0.01 -0.02 -0.04 0.89 0.85 1s16A1 ALA 1049 H 0.08 0.34 -0.33 -0.55 8.40 7.95 1s16A1 ALA 1049 HA -0.05 0.02 0.61 -0.75 4.34 4.17 1s16A1 ALA 1049 HB3 0.01 -0.03 0.19 -0.04 1.41 1.54 1s16A1 GLY 1050 H -0.08 0.46 -0.62 -0.55 8.43 7.64 1s16A1 GLY 1050 HA2 -0.08 0.11 0.31 -0.51 4.01 3.83 1s16A1 GLY 1050 HA3 -0.18 0.03 0.50 -0.51 4.01 3.85 1s16A1 HIS 1051 H -0.12 0.51 0.05 -0.55 8.41 8.31 1s16A1 HIS 1051 HA -0.01 0.21 0.85 -0.75 4.63 4.93 1s16A1 HIS 1051 HB2 0.00 -0.12 0.11 -0.04 3.26 3.22 1s16A1 HIS 1051 HB3 -0.01 -0.09 0.04 -0.04 3.20 3.10 1s16A1 HIS 1051 HD2 -0.03 0.03 -0.06 -0.04 6.97 6.87 1s16A1 HIS 1051 HE1 -0.16 0.04 0.05 -0.04 7.75 7.64 1s16A1 ALA 1052 H 0.08 0.22 -0.27 -0.55 8.40 7.88 1s16A1 ALA 1052 HA 0.06 0.32 0.62 -0.75 4.34 4.58 1s16A1 ALA 1052 HB3 0.06 -0.05 -0.06 -0.04 1.41 1.31 1s16A1 LYS 1053 H 0.03 0.09 0.20 -0.55 8.42 8.18 1s16A1 LYS 1053 HA 0.01 0.27 0.84 -0.75 4.32 4.69 1s16A1 LYS 1053 HB2 0.01 -0.03 0.09 -0.04 1.87 1.90 1s16A1 LYS 1053 HB3 0.00 0.00 0.10 -0.04 1.79 1.86 1s16A1 LYS 1053 HG2 0.00 0.07 -0.07 -0.04 1.46 1.42 1s16A1 LYS 1053 HG3 0.02 0.07 -0.19 -0.04 1.46 1.31 1s16A1 LYS 1053 HD2 0.01 -0.03 0.01 -0.04 1.69 1.64 1s16A1 LYS 1053 HD3 0.00 -0.03 0.00 -0.04 1.68 1.62 1s16A1 LYS 1053 HE2 0.01 0.06 -0.01 -0.04 2.99 3.01 1s16A1 LYS 1053 HE3 0.00 -0.06 -0.00 -0.04 2.99 2.90 1s16A1 ARG 1054 H 0.02 -0.01 0.19 -0.55 8.46 8.11 1s16A1 ARG 1054 HA 0.02 0.35 0.83 -0.75 4.34 4.78 1s16A1 ARG 1054 HB2 0.01 0.05 0.03 -0.04 1.90 1.94 1s16A1 ARG 1054 HB3 0.00 0.08 -0.14 -0.04 1.80 1.70 1s16A1 ARG 1054 HG2 0.01 -0.11 0.04 -0.04 1.67 1.57 1s16A1 ARG 1054 HG3 0.01 -0.03 -0.15 -0.04 1.67 1.46 1s16A1 ARG 1054 HD2 -0.00 0.03 -0.08 -0.04 3.22 3.14 1s16A1 ARG 1054 HD3 0.00 -0.01 -0.08 -0.04 3.22 3.10 1s16A1 VAL 1055 H 0.03 0.72 0.35 -0.55 8.24 8.79 1s16A1 VAL 1055 HA 0.03 0.25 1.09 -0.75 4.13 4.74 1s16A1 VAL 1055 HB 0.04 -0.00 0.15 -0.04 2.12 2.27 1s16A1 VAL 1055 HG13 0.03 -0.01 -0.12 -0.04 0.97 0.83 1s16A1 VAL 1055 HG23 0.03 -0.02 -0.26 -0.04 0.95 0.66 1s16A1 ASP 1056 H 0.02 0.79 0.38 -0.55 8.40 9.04 1s16A1 ASP 1056 HA 0.04 0.14 1.12 -0.75 4.63 5.18 1s16A1 ASP 1056 HB2 -0.00 -0.04 0.12 -0.04 2.71 2.74 1s16A1 ASP 1056 HB3 -0.02 0.01 -0.01 -0.04 2.70 2.64 1s16A1 VAL 1057 H 0.09 0.69 0.39 -0.55 8.24 8.86 1s16A1 VAL 1057 HA 0.00 0.33 1.24 -0.75 4.13 4.95 1s16A1 VAL 1057 HB 0.28 -0.01 0.20 -0.04 2.12 2.56 1s16A1 VAL 1057 HG13 0.06 -0.02 -0.07 -0.04 0.97 0.90 1s16A1 VAL 1057 HG23 0.06 0.00 -0.10 -0.04 0.95 0.87 1s16A1 ILE 1058 H -0.13 0.64 0.40 -0.55 8.25 8.61 1s16A1 ILE 1058 HA -0.31 0.23 1.16 -0.75 4.18 4.51 1s16A1 ILE 1058 HB -0.39 -0.06 0.13 -0.04 1.89 1.53 1s16A1 ILE 1058 HG12 -0.21 0.03 -0.12 -0.04 1.49 1.16 1s16A1 ILE 1058 HG13 -0.14 -0.08 -0.64 -0.04 1.21 0.32 1s16A1 ILE 1058 HG23 -0.65 -0.01 -0.17 -0.04 0.93 0.06 1s16A1 ILE 1058 HD13 -0.12 0.00 -0.12 -0.04 0.88 0.60 1s16A1 LEU 1059 H -0.39 0.62 0.35 -0.55 8.37 8.40 1s16A1 LEU 1059 HA -0.29 0.22 0.87 -0.75 4.35 4.39 1s16A1 LEU 1059 HB2 0.05 -0.00 0.12 -0.04 1.64 1.77 1s16A1 LEU 1059 HB3 -0.14 -0.23 0.28 -0.04 1.64 1.51 1s16A1 LEU 1059 HG -0.15 -0.00 -0.02 -0.04 1.64 1.43 1s16A1 LEU 1059 HD13 0.14 -0.03 -0.02 -0.04 0.93 0.98 1s16A1 LEU 1059 HD23 -0.09 0.07 -0.03 -0.04 0.89 0.80 1s16A1 HIS 1060 H -0.15 0.66 0.27 -0.55 8.41 8.64 1s16A1 HIS 1060 HA -0.10 0.10 0.62 -0.75 4.63 4.49 1s16A1 HIS 1060 HB2 -0.13 -0.01 0.08 -0.04 3.26 3.17 1s16A1 HIS 1060 HB3 -0.01 -0.06 0.04 -0.04 3.20 3.13 1s16A1 HIS 1060 HD2 -0.53 0.05 -0.20 -0.04 6.97 6.24 1s16A1 HIS 1060 HE1 -0.10 0.03 -0.07 -0.04 7.75 7.56 1s16A1 ALA 1061 H 0.07 0.21 0.12 -0.55 8.40 8.26 1s16A1 ALA 1061 HA 0.03 0.06 0.27 -0.75 4.34 3.94 1s16A1 ALA 1061 HB3 0.05 0.05 0.10 -0.04 1.41 1.57 1s16A1 ASP 1062 H 0.12 0.01 -0.35 -0.55 8.40 7.64 1s16A1 ASP 1062 HA 0.10 0.19 0.56 -0.75 4.63 4.73 1s16A1 ASP 1062 HB2 0.22 0.07 0.14 -0.04 2.71 3.09 1s16A1 ASP 1062 HB3 0.16 0.00 0.05 -0.04 2.70 2.87 1s16A1 GLN 1063 H 0.07 0.50 -0.53 -0.55 8.47 7.96 1s16A1 GLN 1063 HA 0.09 -0.02 0.32 -0.75 4.36 3.99 1s16A1 GLN 1063 HB2 0.10 -0.02 -0.31 -0.04 2.15 1.88 1s16A1 GLN 1063 HB3 0.12 0.18 0.21 -0.04 2.02 2.49 1s16A1 GLN 1063 HG2 0.09 0.03 -0.06 -0.04 2.40 2.41 1s16A1 GLN 1063 HG3 0.25 0.02 0.24 -0.04 2.39 2.86 1s16A1 GLN 1063 HE21 0.08 -0.02 0.04 -0.04 6.97 7.03 1s16A1 GLN 1063 HE22 0.08 0.08 -0.01 -0.04 7.69 7.79 1s16A1 SER 1064 H -0.05 -0.08 -0.20 -0.55 8.46 7.59 1s16A1 SER 1064 HA -0.30 0.26 0.94 -0.75 4.49 4.63 1s16A1 SER 1064 HB2 -1.47 0.14 -0.04 -0.04 3.95 2.54 1s16A1 SER 1064 HB3 -1.13 0.03 -0.04 -0.04 3.93 2.74 1s16A1 LEU 1065 H -0.79 0.62 0.39 -0.55 8.37 8.05 1s16A1 LEU 1065 HA -0.44 0.26 1.20 -0.75 4.35 4.62 1s16A1 LEU 1065 HB2 -1.12 0.01 -0.05 -0.04 1.64 0.44 1s16A1 LEU 1065 HB3 -0.94 -0.02 0.10 -0.04 1.64 0.74 1s16A1 LEU 1065 HG -0.42 -0.06 -0.04 -0.04 1.64 1.08 1s16A1 LEU 1065 HD13 -0.09 -0.00 -0.15 -0.04 0.93 0.65 1s16A1 LEU 1065 HD23 -0.58 0.03 -0.06 -0.04 0.89 0.24 1s16A1 GLU 1066 H -0.27 0.53 0.41 -0.55 8.60 8.72 1s16A1 GLU 1066 HA -0.13 0.36 1.29 -0.75 4.29 5.05 1s16A1 GLU 1066 HB2 -0.82 -0.04 -0.03 -0.04 2.09 1.16 1s16A1 GLU 1066 HB3 -0.21 -0.05 0.17 -0.04 1.99 1.85 1s16A1 GLU 1066 HG2 -0.07 -0.01 -0.28 -0.04 2.34 1.94 1s16A1 GLU 1066 HG3 -0.08 0.05 -0.14 -0.04 2.34 2.13 1s16A1 VAL 1067 H 0.05 0.77 0.42 -0.55 8.24 8.93 1s16A1 VAL 1067 HA 0.01 0.29 1.18 -0.75 4.13 4.85 1s16A1 VAL 1067 HB 0.08 -0.04 0.15 -0.04 2.12 2.26 1s16A1 VAL 1067 HG13 0.04 -0.00 -0.21 -0.04 0.97 0.75 1s16A1 VAL 1067 HG23 0.08 -0.01 -0.16 -0.04 0.95 0.81 1s16A1 ILE 1068 H 0.01 0.81 0.41 -0.55 8.25 8.94 1s16A1 ILE 1068 HA 0.04 0.29 1.28 -0.75 4.18 5.04 1s16A1 ILE 1068 HB 0.01 -0.06 0.13 -0.04 1.89 1.92 1s16A1 ILE 1068 HG12 0.02 -0.00 -0.15 -0.04 1.49 1.32 1s16A1 ILE 1068 HG13 -0.01 -0.07 -0.29 -0.04 1.21 0.80 1s16A1 ILE 1068 HG23 0.03 0.02 -0.09 -0.04 0.93 0.85 1s16A1 ILE 1068 HD13 -0.01 -0.00 -0.11 -0.04 0.88 0.72 1s16A1 ASP 1069 H 0.04 0.66 0.49 -0.55 8.40 9.04 1s16A1 ASP 1069 HA 0.03 0.37 1.12 -0.75 4.63 5.41 1s16A1 ASP 1069 HB2 0.04 0.03 0.25 -0.04 2.71 2.99 1s16A1 ASP 1069 HB3 0.04 0.01 0.01 -0.04 2.70 2.72 1s16A1 ASP 1070 H 0.03 0.24 0.29 -0.55 8.40 8.42 1s16A1 ASP 1070 HA 0.03 0.33 1.17 -0.75 4.63 5.40 1s16A1 ASP 1070 HB2 0.02 0.13 0.35 -0.04 2.71 3.17 1s16A1 ASP 1070 HB3 0.02 -0.03 0.10 -0.04 2.70 2.75 1s16A1 GLY 1071 H 0.05 -0.10 -0.25 -0.55 8.43 7.58 1s16A1 GLY 1071 HA2 0.08 0.30 0.17 -0.51 4.01 4.05 1s16A1 GLY 1071 HA3 0.07 -0.12 0.27 -0.51 4.01 3.73 1s16A1 ARG 1072 H -0.00 0.09 0.06 -0.55 8.46 8.06 1s16A1 ARG 1072 HA -0.05 0.17 0.42 -0.75 4.34 4.12 1s16A1 ARG 1072 HB2 -0.13 -0.04 0.05 -0.04 1.90 1.73 1s16A1 ARG 1072 HB3 -0.13 0.03 0.08 -0.04 1.80 1.74 1s16A1 ARG 1072 HG2 -0.29 0.05 0.05 -0.04 1.67 1.43 1s16A1 ARG 1072 HG3 -0.36 -0.06 0.06 -0.04 1.67 1.26 1s16A1 ARG 1072 HD2 -0.39 -0.02 0.03 -0.04 3.22 2.81 1s16A1 ARG 1072 HD3 -1.26 0.06 0.03 -0.04 3.22 2.01 1s16A1 GLY 1073 H 0.02 -0.14 -0.43 -0.55 8.43 7.34 1s16A1 GLY 1073 HA2 0.04 -0.11 0.01 -0.51 4.01 3.43 1s16A1 GLY 1073 HA3 0.03 0.26 0.45 -0.51 4.01 4.23 1s16A1 MET 1074 H 0.04 0.06 -0.00 -0.55 8.47 8.02 1s16A1 MET 1074 HA 0.03 0.08 0.38 -0.75 4.52 4.25 1s16A1 MET 1074 HB2 0.04 -0.03 -0.01 -0.04 2.15 2.11 1s16A1 MET 1074 HB3 0.03 0.07 -0.10 -0.04 2.03 1.98 1s16A1 MET 1074 HG2 0.04 0.01 -0.04 -0.04 2.63 2.59 1s16A1 MET 1074 HG3 0.04 -0.08 -0.02 -0.04 2.56 2.46 1s16A1 MET 1074 HE3 0.03 0.01 -0.08 -0.04 2.10 2.03 1s16A1 PRO 1075 HA -0.05 0.06 0.39 -0.51 4.44 4.34 1s16A1 PRO 1075 HB2 0.01 -0.06 0.03 -0.04 2.28 2.21 1s16A1 PRO 1075 HB3 -0.02 0.03 0.06 -0.04 2.02 2.05 1s16A1 PRO 1075 HG2 0.01 0.01 0.03 -0.04 2.03 2.05 1s16A1 PRO 1075 HG3 -0.02 0.14 0.05 -0.04 2.03 2.16 1s16A1 PRO 1075 HD2 0.02 0.03 0.10 -0.04 3.68 3.79 1s16A1 PRO 1075 HD3 0.02 0.17 0.19 -0.04 3.65 3.98 1s16A1 VAL 1076 H -0.13 0.14 0.17 -0.55 8.24 7.87 1s16A1 VAL 1076 HA -0.09 0.05 0.94 -0.75 4.13 4.27 1s16A1 VAL 1076 HB -0.41 -0.02 0.04 -0.04 2.12 1.70 1s16A1 VAL 1076 HG13 -0.20 0.07 -0.16 -0.04 0.97 0.63 1s16A1 VAL 1076 HG23 -0.76 0.02 -0.08 -0.04 0.95 0.09 1s16A1 ASP 1077 H -0.08 0.01 0.04 -0.55 8.40 7.81 1s16A1 ASP 1077 HA -0.06 0.13 0.45 -0.75 4.63 4.40 1s16A1 ASP 1077 HB2 -0.03 0.06 0.07 -0.04 2.71 2.78 1s16A1 ASP 1077 HB3 -0.05 0.03 0.08 -0.04 2.70 2.72 1s16A1 ILE 1078 H -0.01 0.13 0.07 -0.55 8.25 7.90 1s16A1 ILE 1078 HA 0.03 0.03 0.07 -0.75 4.18 3.55 1s16A1 ILE 1078 HB 0.01 0.00 -0.04 -0.04 1.89 1.83 1s16A1 ILE 1078 HG12 0.01 -0.07 0.03 -0.04 1.49 1.42 1s16A1 ILE 1078 HG13 0.01 0.06 -0.06 -0.04 1.21 1.18 1s16A1 ILE 1078 HG23 0.04 0.04 -0.39 -0.04 0.93 0.58 1s16A1 ILE 1078 HD13 0.02 0.02 -0.18 -0.04 0.88 0.70 1s16A1 HIS 1079 H 0.13 0.61 0.15 -0.55 8.41 8.77 1s16A1 HIS 1079 HA 0.01 0.15 0.48 -0.75 4.63 4.52 1s16A1 HIS 1079 HB2 0.01 0.14 0.12 -0.04 3.26 3.49 1s16A1 HIS 1079 HB3 0.02 -0.20 0.18 -0.04 3.20 3.15 1s16A1 HIS 1079 HD2 0.02 0.03 0.00 -0.04 6.97 6.98 1s16A1 HIS 1079 HE1 0.02 0.09 0.00 -0.04 7.75 7.82 1s16A1 PRO 1080 HA -0.01 0.10 0.33 -0.51 4.44 4.36 1s16A1 PRO 1080 HB2 -0.05 0.05 0.00 -0.04 2.28 2.24 1s16A1 PRO 1080 HB3 -0.07 0.05 0.12 -0.04 2.02 2.08 1s16A1 PRO 1080 HG2 -0.34 -0.03 0.06 -0.04 2.03 1.69 1s16A1 PRO 1080 HG3 -0.20 0.07 0.07 -0.04 2.03 1.93 1s16A1 PRO 1080 HD2 -0.74 0.02 0.23 -0.04 3.68 3.15 1s16A1 PRO 1080 HD3 -0.19 0.24 0.23 -0.04 3.65 3.88 1s16A1 GLU 1081 H 0.36 -0.05 -0.34 -0.55 8.60 8.02 1s16A1 GLU 1081 HA 0.09 0.29 0.97 -0.75 4.29 4.88 1s16A1 GLU 1081 HB2 0.33 -0.06 0.04 -0.04 2.09 2.36 1s16A1 GLU 1081 HB3 0.11 0.05 -0.01 -0.04 1.99 2.10 1s16A1 GLU 1081 HG2 0.06 0.07 -0.08 -0.04 2.34 2.35 1s16A1 GLU 1081 HG3 0.07 -0.09 -0.14 -0.04 2.34 2.13 1s16A1 GLU 1082 H 0.44 -0.06 -0.02 -0.55 8.60 8.41 1s16A1 GLU 1082 HA 0.01 0.21 0.59 -0.75 4.29 4.35 1s16A1 GLU 1082 HB2 -0.12 -0.08 0.03 -0.04 2.09 1.88 1s16A1 GLU 1082 HB3 -0.06 0.05 0.04 -0.04 1.99 1.98 1s16A1 GLU 1082 HG2 -0.54 -0.11 -0.00 -0.04 2.34 1.65 1s16A1 GLU 1082 HG3 -0.33 0.03 -0.02 -0.04 2.34 1.99 1s16A1 GLY 1083 H 0.12 0.45 -0.19 -0.55 8.43 8.27 1s16A1 GLY 1083 HA2 0.05 0.04 0.18 -0.51 4.01 3.77 1s16A1 GLY 1083 HA3 0.04 0.08 0.28 -0.51 4.01 3.90 1s16A1 VAL 1084 H 0.08 0.07 -0.12 -0.55 8.24 7.72 1s16A1 VAL 1084 HA 0.03 0.21 0.68 -0.75 4.13 4.30 1s16A1 VAL 1084 HB 0.02 -0.08 -0.16 -0.04 2.12 1.86 1s16A1 VAL 1084 HG13 0.04 0.02 -0.07 -0.04 0.97 0.92 1s16A1 VAL 1084 HG23 0.02 0.06 -0.21 -0.04 0.95 0.78 1s16A1 PRO 1085 HA 0.02 0.22 0.19 -0.51 4.44 4.36 1s16A1 PRO 1085 HB2 0.01 -0.10 0.03 -0.04 2.28 2.18 1s16A1 PRO 1085 HB3 -0.00 0.22 0.09 -0.04 2.02 2.28 1s16A1 PRO 1085 HG2 0.05 -0.12 0.13 -0.04 2.03 2.04 1s16A1 PRO 1085 HG3 0.03 0.07 0.12 -0.04 2.03 2.20 1s16A1 PRO 1085 HD2 0.03 0.14 0.22 -0.04 3.68 4.03 1s16A1 PRO 1085 HD3 0.02 0.18 0.11 -0.04 3.65 3.92 1s16A1 ALA 1086 H 0.04 0.59 0.02 -0.55 8.40 8.50 1s16A1 ALA 1086 HA 0.09 -0.01 0.31 -0.75 4.34 3.98 1s16A1 ALA 1086 HB3 0.05 0.09 -0.04 -0.04 1.41 1.47 1s16A1 VAL 1087 H 0.02 0.18 -0.29 -0.55 8.24 7.60 1s16A1 VAL 1087 HA 0.04 0.01 0.24 -0.75 4.13 3.67 1s16A1 VAL 1087 HB 0.09 -0.02 -0.09 -0.04 2.12 2.06 1s16A1 VAL 1087 HG13 0.10 -0.01 -0.15 -0.04 0.97 0.88 1s16A1 VAL 1087 HG23 -0.00 0.04 -0.07 -0.04 0.95 0.87 1s16A1 GLU 1088 H 0.08 0.28 -0.20 -0.55 8.60 8.22 1s16A1 GLU 1088 HA 0.26 0.03 0.36 -0.75 4.29 4.19 1s16A1 GLU 1088 HB2 0.08 0.13 0.04 -0.04 2.09 2.29 1s16A1 GLU 1088 HB3 0.11 0.02 -0.08 -0.04 1.99 2.00 1s16A1 GLU 1088 HG2 0.20 0.00 0.02 -0.04 2.34 2.53 1s16A1 GLU 1088 HG3 0.10 -0.05 0.06 -0.04 2.34 2.40 1s16A1 LEU 1089 H 0.04 0.35 -0.33 -0.55 8.37 7.88 1s16A1 LEU 1089 HA -0.01 0.03 0.33 -0.75 4.35 3.94 1s16A1 LEU 1089 HB2 -0.00 -0.00 -0.00 -0.04 1.64 1.60 1s16A1 LEU 1089 HB3 0.01 0.09 0.03 -0.04 1.64 1.73 1s16A1 LEU 1089 HG -0.06 0.03 -0.08 -0.04 1.64 1.49 1s16A1 LEU 1089 HD13 -0.08 -0.00 -0.05 -0.04 0.93 0.76 1s16A1 LEU 1089 HD23 -0.28 -0.02 -0.04 -0.04 0.89 0.51 1s16A1 ILE 1090 H 0.01 0.53 -0.14 -0.55 8.25 8.11 1s16A1 ILE 1090 HA -0.01 0.13 0.36 -0.75 4.18 3.90 1s16A1 ILE 1090 HB 0.01 0.11 0.08 -0.04 1.89 2.05 1s16A1 ILE 1090 HG12 0.01 -0.07 -0.07 -0.04 1.49 1.32 1s16A1 ILE 1090 HG13 0.03 0.10 -0.06 -0.04 1.21 1.24 1s16A1 ILE 1090 HG23 -0.02 -0.04 -0.18 -0.04 0.93 0.65 1s16A1 ILE 1090 HD13 0.03 -0.03 -0.14 -0.04 0.88 0.70 1s16A1 LEU 1091 H -0.05 0.46 -0.23 -0.55 8.37 8.01 1s16A1 LEU 1091 HA -0.18 -0.01 0.37 -0.75 4.35 3.78 1s16A1 LEU 1091 HB2 -0.22 0.11 0.06 -0.04 1.64 1.55 1s16A1 LEU 1091 HB3 -0.92 -0.00 -0.16 -0.04 1.64 0.52 1s16A1 LEU 1091 HG -0.13 -0.03 -0.15 -0.04 1.64 1.29 1s16A1 LEU 1091 HD13 -0.25 -0.01 -0.13 -0.04 0.93 0.50 1s16A1 LEU 1091 HD23 -0.01 0.01 -0.16 -0.04 0.89 0.69 1s16A1 CYS 1092 H -0.09 0.57 -0.09 -0.55 8.50 8.33 1s16A1 CYS 1092 HA -0.15 0.22 0.98 -0.75 4.58 4.87 1s16A1 CYS 1092 HB2 -0.00 0.05 0.02 -0.04 2.97 2.99 1s16A1 CYS 1092 HB3 -0.01 -0.08 0.15 -0.04 2.97 2.99 1s16A1 ARG 1093 H -0.06 0.42 -0.15 -0.55 8.46 8.12 1s16A1 ARG 1093 HA -0.04 0.11 1.10 -0.75 4.34 4.76 1s16A1 ARG 1093 HB2 -0.02 -0.10 -0.07 -0.04 1.90 1.67 1s16A1 ARG 1093 HB3 -0.01 0.06 0.07 -0.04 1.80 1.88 1s16A1 ARG 1093 HG2 0.02 0.19 -0.14 -0.04 1.67 1.69 1s16A1 ARG 1093 HG3 -0.00 -0.06 0.09 -0.04 1.67 1.65 1s16A1 ARG 1093 HD2 -0.02 -0.05 -0.04 -0.04 3.22 3.07 1s16A1 ARG 1093 HD3 -0.01 -0.02 -0.01 -0.04 3.22 3.14 1s16A1 LEU 1094 H -0.05 0.14 0.11 -0.55 8.37 8.03 1s16A1 LEU 1094 HA -0.13 0.05 0.58 -0.75 4.35 4.09 1s16A1 LEU 1094 HB2 -0.03 0.01 0.10 -0.04 1.64 1.68 1s16A1 LEU 1094 HB3 -0.25 -0.04 0.02 -0.04 1.64 1.32 1s16A1 LEU 1094 HG -0.15 0.08 0.01 -0.04 1.64 1.54 1s16A1 LEU 1094 HD13 -0.18 -0.02 -0.02 -0.04 0.93 0.67 1s16A1 LEU 1094 HD23 -0.29 -0.01 -0.06 -0.04 0.89 0.49 1s16A1 HIS 1095 H -0.20 0.13 0.08 -0.55 8.41 7.88 1s16A1 HIS 1095 HA 0.35 0.17 0.41 -0.75 4.63 4.81 1s16A1 HIS 1095 HB2 0.04 0.19 0.02 -0.04 3.26 3.48 1s16A1 HIS 1095 HB3 0.03 -0.05 0.21 -0.04 3.20 3.34 1s16A1 HIS 1095 HD2 0.04 0.03 -0.16 -0.04 6.97 6.83 1s16A1 HIS 1095 HE1 -0.00 -0.06 -0.01 -0.04 7.75 7.64 1s16A1 ALA 1096 H 0.13 0.63 0.07 -0.55 8.40 8.68 1s16A1 ALA 1096 HA 0.27 0.07 0.75 -0.75 4.34 4.67 1s16A1 ALA 1096 HB3 0.05 0.06 -0.09 -0.04 1.41 1.39 1s16A1 GLY 1097 H 0.21 0.34 0.11 -0.55 8.43 8.55 1s16A1 GLY 1097 HA2 -0.03 0.14 0.41 -0.51 4.01 4.03 1s16A1 GLY 1097 HA3 -0.21 -0.10 0.31 -0.51 4.01 3.50 1s16A1 GLY 1098 H -0.06 0.16 0.06 -0.55 8.43 8.04 1s16A1 GLY 1098 HA2 0.05 0.23 0.83 -0.51 4.01 4.61 1s16A1 GLY 1098 HA3 0.08 0.08 0.33 -0.51 4.01 3.99 1s16A1 LYS 1099 H -0.34 0.05 -0.33 -0.55 8.42 7.25 1s16A1 LYS 1099 HA 0.01 0.32 0.97 -0.75 4.32 4.87 1s16A1 LYS 1099 HB2 -0.25 -0.21 -0.20 -0.04 1.87 1.17 1s16A1 LYS 1099 HB3 -0.11 0.30 0.11 -0.04 1.79 2.05 1s16A1 LYS 1099 HG2 -0.26 0.14 -0.11 -0.04 1.46 1.19 1s16A1 LYS 1099 HG3 -0.15 -0.17 -0.54 -0.04 1.46 0.56 1s16A1 LYS 1099 HD2 -0.26 -0.19 -0.17 -0.04 1.69 1.03 1s16A1 LYS 1099 HD3 -0.31 0.11 -0.10 -0.04 1.68 1.34 1s16A1 LYS 1099 HE2 -1.43 0.09 -0.07 -0.04 2.99 1.54 1s16A1 LYS 1099 HE3 -0.59 -0.02 -0.11 -0.04 2.99 2.23 1s16A1 PHE 1100 H -0.00 0.08 -0.19 -0.55 8.34 7.68 1s16A1 PHE 1100 HA 0.06 0.25 0.71 -0.75 4.62 4.88 1s16A1 PHE 1100 HB2 0.05 -0.03 0.01 -0.04 3.15 3.14 1s16A1 PHE 1100 HB3 0.05 0.03 0.12 -0.04 3.06 3.21 1s16A1 PHE 1100 HD2 0.07 0.08 -0.01 -0.04 7.28 7.39 1s16A1 PHE 1100 HE2 0.13 0.03 -0.17 -0.04 7.38 7.32 1s16A1 PHE 1100 HZ 0.17 0.08 -0.31 -0.04 7.32 7.22 1s16A1 SER 1101 H 0.11 0.07 -0.25 -0.55 8.46 7.84 1s16A1 SER 1101 HA 0.08 0.22 0.62 -0.75 4.49 4.66 1s16A1 SER 1101 HB2 0.06 -0.00 0.16 -0.04 3.95 4.12 1s16A1 SER 1101 HB3 0.10 0.07 -0.14 -0.04 3.93 3.91 1s16A1 ASN 1102 H 0.03 0.14 0.11 -0.55 8.53 8.26 1s16A1 ASN 1102 HA 0.04 0.46 1.01 -0.75 4.76 5.51 1s16A1 ASN 1102 HB2 -0.04 0.11 0.26 -0.04 2.88 3.17 1s16A1 ASN 1102 HB3 -0.00 0.02 0.07 -0.04 2.79 2.84 1s16A1 ASN 1102 HD21 -0.04 -0.03 -0.01 -0.04 7.03 6.91 1s16A1 ASN 1102 HD22 -0.08 0.04 0.07 -0.04 7.74 7.73 1s16A1 LYS 1103 H 0.04 0.01 -0.20 -0.55 8.42 7.72 1s16A1 LYS 1103 HA -0.00 0.16 0.51 -0.75 4.32 4.24 1s16A1 ASN 1104 H 0.06 0.06 -0.10 -0.55 8.53 8.00 1s16A1 ASN 1104 HA -0.12 0.22 0.86 -0.75 4.76 4.97 1s16A1 ASN 1104 HB2 0.18 0.21 0.10 -0.04 2.88 3.32 1s16A1 ASN 1104 HB3 -0.18 -0.04 0.06 -0.04 2.79 2.58 1s16A1 ASN 1104 HD21 0.05 -0.05 0.00 -0.04 7.03 6.99 1s16A1 ASN 1104 HD22 0.09 0.36 0.19 -0.04 7.74 8.34 1s16A1 TYR 1105 H 0.14 0.14 -0.10 -0.55 8.29 7.93 1s16A1 TYR 1105 HA 0.01 0.16 0.63 -0.75 4.56 4.60 1s16A1 TYR 1105 HB2 0.00 0.01 -0.09 -0.04 3.06 2.94 1s16A1 TYR 1105 HB3 0.02 0.05 -0.17 -0.04 2.98 2.83 1s16A1 TYR 1105 HD2 0.02 0.11 -0.17 -0.04 7.15 7.06 1s16A1 TYR 1105 HE2 0.02 -0.08 -0.25 -0.04 6.85 6.50 1s16A1 GLN 1106 H -0.01 0.16 0.07 -0.55 8.47 8.14 1s16A1 GLN 1106 HA -0.16 0.12 0.60 -0.75 4.36 4.16 1s16A1 GLN 1106 HB2 -0.22 0.03 0.11 -0.04 2.15 2.03 1s16A1 GLN 1106 HB3 -0.32 -0.03 0.16 -0.04 2.02 1.79 1s16A1 GLN 1106 HG2 -0.56 0.02 0.02 -0.04 2.40 1.84 1s16A1 GLN 1106 HG3 -1.69 -0.03 -0.20 -0.04 2.39 0.44 1s16A1 GLN 1106 HE21 -0.19 -0.12 0.07 -0.04 6.97 6.69 1s16A1 GLN 1106 HE22 -0.64 0.02 0.05 -0.04 7.69 7.08 1s16A1 PHE 1107 H 0.02 0.15 0.00 -0.55 8.34 7.96 1s16A1 PHE 1107 HA 0.03 0.32 0.92 -0.75 4.62 5.13 1s16A1 PHE 1107 HB2 0.03 0.03 0.12 -0.04 3.15 3.28 1s16A1 PHE 1107 HB3 0.03 -0.08 -0.01 -0.04 3.06 2.95 1s16A1 PHE 1107 HD2 0.01 0.16 -0.28 -0.04 7.28 7.13 1s16A1 PHE 1107 HE2 -0.01 0.01 -0.34 -0.04 7.38 7.00 1s16A1 PHE 1107 HZ -0.01 0.05 -0.42 -0.04 7.32 6.90 1s16A1 SER 1108 H 0.13 0.39 0.10 -0.55 8.46 8.53 1s16A1 SER 1108 HA 0.03 0.18 1.00 -0.75 4.49 4.95 1s16A1 SER 1108 HB2 -0.27 -0.21 0.09 -0.04 3.95 3.53 1s16A1 SER 1108 HB3 -0.11 -0.00 -0.17 -0.04 3.93 3.60 1s16A1 GLY 1109 H -0.03 0.14 0.19 -0.55 8.43 8.18 1s16A1 GLY 1109 HA2 0.08 0.11 0.55 -0.51 4.01 4.24 1s16A1 GLY 1109 HA3 -0.02 0.05 0.33 -0.51 4.01 3.86 1s16A1 GLY 1110 H -0.13 -0.00 -0.09 -0.55 8.43 7.66 1s16A1 GLY 1110 HA2 -0.13 0.03 0.59 -0.51 4.01 3.99 1s16A1 GLY 1110 HA3 -0.16 -0.06 0.26 -0.51 4.01 3.54 1s16A1 LEU 1111 H -0.15 -0.31 0.25 -0.55 8.37 7.61 1s16A1 LEU 1111 HA -0.11 0.23 0.42 -0.75 4.35 4.14 1s16A1 LEU 1111 HB2 0.08 0.04 0.07 -0.04 1.64 1.79 1s16A1 LEU 1111 HB3 0.02 0.26 -0.00 -0.04 1.64 1.87 1s16A1 LEU 1111 HG 0.11 0.12 -0.24 -0.04 1.64 1.59 1s16A1 LEU 1111 HD13 -0.61 -0.06 -0.04 -0.04 0.93 0.19 1s16A1 LEU 1111 HD23 0.12 0.00 -0.10 -0.04 0.89 0.88 1s16A1 HIS 1112 H -0.06 -0.16 0.22 -0.55 8.41 7.87 1s16A1 HIS 1112 HA 0.33 0.34 0.70 -0.75 4.63 5.25 1s16A1 HIS 1112 HB2 0.06 -0.18 0.15 -0.04 3.26 3.26 1s16A1 HIS 1112 HB3 0.14 0.07 0.04 -0.04 3.20 3.41 1s16A1 HIS 1112 HD2 0.20 0.13 -0.17 -0.04 6.97 7.08 1s16A1 HIS 1112 HE1 0.10 0.08 -0.29 -0.04 7.75 7.59 1s16A1 GLY 1113 H -0.07 -0.03 -0.05 -0.55 8.43 7.72 1s16A1 GLY 1113 HA2 -0.11 0.04 0.11 -0.51 4.01 3.53 1s16A1 GLY 1113 HA3 0.06 0.12 0.16 -0.51 4.01 3.84 1s16A1 VAL 1114 H 0.03 -0.20 -0.04 -0.55 8.24 7.48 1s16A1 VAL 1114 HA -0.08 0.31 1.00 -0.75 4.13 4.60 1s16A1 VAL 1114 HB 0.09 -0.09 -0.01 -0.04 2.12 2.07 1s16A1 VAL 1114 HG13 0.07 0.03 -0.17 -0.04 0.97 0.86 1s16A1 VAL 1114 HG23 -0.28 0.07 -0.17 -0.04 0.95 0.52 1s16A1 GLY 1115 H 0.00 -0.08 0.14 -0.55 8.43 7.95 1s16A1 GLY 1115 HA2 0.00 0.16 0.37 -0.51 4.01 4.03 1s16A1 GLY 1115 HA3 -0.03 0.04 0.39 -0.51 4.01 3.90 1s16A1 ILE 1116 H -0.07 0.11 -0.03 -0.55 8.25 7.71 1s16A1 ILE 1116 HA -0.12 0.03 0.37 -0.75 4.18 3.69 1s16A1 ILE 1116 HB -0.07 -0.04 0.03 -0.04 1.89 1.77 1s16A1 ILE 1116 HG12 -0.05 0.02 -0.11 -0.04 1.49 1.31 1s16A1 ILE 1116 HG13 -0.11 0.04 -0.09 -0.04 1.21 1.01 1s16A1 ILE 1116 HG23 -0.07 0.02 -0.20 -0.04 0.93 0.64 1s16A1 ILE 1116 HD13 -0.09 -0.01 -0.02 -0.04 0.88 0.72 1s16A1 SER 1117 H -0.10 0.11 -0.42 -0.55 8.46 7.50 1s16A1 SER 1117 HA -0.17 0.28 0.53 -0.75 4.49 4.38 1s16A1 SER 1117 HB2 -0.15 -0.08 -0.23 -0.04 3.95 3.46 1s16A1 SER 1117 HB3 -0.12 0.12 -0.29 -0.04 3.93 3.59 1s16A1 VAL 1118 H -0.11 0.46 -0.20 -0.55 8.24 7.84 1s16A1 VAL 1118 HA -0.19 0.05 0.47 -0.75 4.13 3.70 1s16A1 VAL 1118 HB -0.04 0.14 0.13 -0.04 2.12 2.31 1s16A1 VAL 1118 HG13 -0.02 0.01 -0.24 -0.04 0.97 0.69 1s16A1 VAL 1118 HG23 -0.09 0.03 -0.05 -0.04 0.95 0.80 1s16A1 VAL 1119 H -0.13 0.34 -0.10 -0.55 8.24 7.80 1s16A1 VAL 1119 HA -0.14 -0.01 0.33 -0.75 4.13 3.56 1s16A1 VAL 1119 HB -0.24 0.17 0.15 -0.04 2.12 2.16 1s16A1 VAL 1119 HG13 -0.80 -0.02 -0.17 -0.04 0.97 -0.07 1s16A1 VAL 1119 HG23 -0.26 -0.01 0.03 -0.04 0.95 0.67 1s16A1 ASN 1120 H -0.14 0.51 -0.25 -0.55 8.53 8.10 1s16A1 ASN 1120 HA -0.03 -0.06 0.25 -0.75 4.76 4.17 1s16A1 ASN 1120 HB2 -0.24 -0.02 0.09 -0.04 2.88 2.67 1s16A1 ASN 1120 HB3 -0.20 0.25 0.17 -0.04 2.79 2.97 1s16A1 ASN 1120 HD21 -0.57 -0.05 -0.24 -0.04 7.03 6.12 1s16A1 ASN 1120 HD22 -0.40 0.41 -0.16 -0.04 7.74 7.56 1s16A1 ALA 1121 H -0.13 0.54 -0.17 -0.55 8.40 8.09 1s16A1 ALA 1121 HA -0.06 -0.00 0.27 -0.75 4.34 3.79 1s16A1 ALA 1121 HB3 -0.18 0.00 0.08 -0.04 1.41 1.26 1s16A1 LEU 1122 H -0.07 0.46 -0.43 -0.55 8.37 7.78 1s16A1 LEU 1122 HA -0.22 0.18 0.75 -0.75 4.35 4.31 1s16A1 LEU 1122 HB2 -0.01 0.15 0.04 -0.04 1.64 1.77 1s16A1 LEU 1122 HB3 0.17 -0.13 0.15 -0.04 1.64 1.78 1s16A1 LEU 1122 HG -0.88 -0.02 -0.03 -0.04 1.64 0.67 1s16A1 LEU 1122 HD13 -0.68 0.07 -0.36 -0.04 0.93 -0.09 1s16A1 LEU 1122 HD23 -0.14 -0.01 -0.11 -0.04 0.89 0.59 1s16A1 SER 1123 H 0.13 0.49 -0.40 -0.55 8.46 8.13 1s16A1 SER 1123 HA 0.33 0.01 1.10 -0.75 4.49 5.17 1s16A1 SER 1123 HB2 0.22 0.07 -0.03 -0.04 3.95 4.17 1s16A1 SER 1123 HB3 0.39 -0.07 -0.08 -0.04 3.93 4.13 1s16A1 LYS 1124 H 0.29 0.59 0.21 -0.55 8.42 8.95 1s16A1 LYS 1124 HA 0.14 0.03 0.51 -0.75 4.32 4.25 1s16A1 LYS 1124 HB2 0.17 0.05 0.13 -0.04 1.87 2.18 1s16A1 LYS 1124 HB3 0.06 -0.02 0.11 -0.04 1.79 1.89 1s16A1 LYS 1124 HG2 0.11 -0.01 0.08 -0.04 1.46 1.60 1s16A1 LYS 1124 HG3 0.20 0.01 0.01 -0.04 1.46 1.64 1s16A1 LYS 1124 HD2 0.06 -0.01 0.05 -0.04 1.69 1.75 1s16A1 LYS 1124 HD3 0.09 -0.09 0.10 -0.04 1.68 1.74 1s16A1 LYS 1124 HE2 0.21 0.34 0.04 -0.04 2.99 3.54 1s16A1 LYS 1124 HE3 0.16 -0.04 0.02 -0.04 2.99 3.09 1s16A1 ARG 1125 H 0.32 0.22 -0.04 -0.55 8.46 8.41 1s16A1 ARG 1125 HA 0.14 0.31 0.78 -0.75 4.34 4.81 1s16A1 ARG 1125 HB2 -0.17 0.09 -0.14 -0.04 1.90 1.63 1s16A1 ARG 1125 HB3 -0.26 -0.11 -0.01 -0.04 1.80 1.38 1s16A1 ARG 1125 HG2 0.02 -0.05 -0.17 -0.04 1.67 1.44 1s16A1 ARG 1125 HG3 -0.06 0.14 0.12 -0.04 1.67 1.83 1s16A1 ARG 1125 HD2 -0.43 0.02 -0.04 -0.04 3.22 2.72 1s16A1 ARG 1125 HD3 -1.18 -0.06 -0.09 -0.04 3.22 1.85 1s16A1 VAL 1126 H 0.26 0.67 0.32 -0.55 8.24 8.95 1s16A1 VAL 1126 HA 0.46 0.25 1.02 -0.75 4.13 5.11 1s16A1 VAL 1126 HB 0.33 -0.07 0.02 -0.04 2.12 2.36 1s16A1 VAL 1126 HG13 0.22 -0.01 -0.23 -0.04 0.97 0.90 1s16A1 VAL 1126 HG23 0.22 -0.02 -0.28 -0.04 0.95 0.83 1s16A1 GLU 1127 H 0.38 0.76 0.39 -0.55 8.60 9.59 1s16A1 GLU 1127 HA 0.20 0.21 1.13 -0.75 4.29 5.08 1s16A1 GLU 1127 HB2 0.29 -0.06 0.15 -0.04 2.09 2.43 1s16A1 GLU 1127 HB3 0.18 0.03 0.04 -0.04 1.99 2.20 1s16A1 GLU 1127 HG2 0.12 0.04 -0.12 -0.04 2.34 2.34 1s16A1 GLU 1127 HG3 0.43 -0.01 -0.15 -0.04 2.34 2.57 1s16A1 VAL 1128 H 0.18 0.71 0.41 -0.55 8.24 8.98 1s16A1 VAL 1128 HA 0.16 0.33 1.26 -0.75 4.13 5.12 1s16A1 VAL 1128 HB 0.20 -0.01 0.08 -0.04 2.12 2.35 1s16A1 VAL 1128 HG13 0.12 -0.01 -0.12 -0.04 0.97 0.92 1s16A1 VAL 1128 HG23 0.21 -0.01 -0.19 -0.04 0.95 0.91 1s16A1 ASN 1129 H 0.12 0.64 0.42 -0.55 8.53 9.16 1s16A1 ASN 1129 HA 0.11 0.43 1.20 -0.75 4.76 5.75 1s16A1 ASN 1129 HB2 0.10 -0.06 0.06 -0.04 2.88 2.93 1s16A1 ASN 1129 HB3 0.08 -0.01 -0.07 -0.04 2.79 2.75 1s16A1 ASN 1129 HD21 0.05 -0.02 -0.13 -0.04 7.03 6.89 1s16A1 ASN 1129 HD22 0.06 -0.02 -0.13 -0.04 7.74 7.61 1s16A1 VAL 1130 H 0.16 0.58 0.35 -0.55 8.24 8.78 1s16A1 VAL 1130 HA 0.09 0.28 1.25 -0.75 4.13 5.01 1s16A1 VAL 1130 HB 0.15 -0.06 0.06 -0.04 2.12 2.23 1s16A1 VAL 1130 HG13 0.07 0.05 -0.16 -0.04 0.97 0.89 1s16A1 VAL 1130 HG23 0.07 -0.03 -0.17 -0.04 0.95 0.78 1s16A1 ARG 1131 H 0.09 0.60 0.32 -0.55 8.46 8.92 1s16A1 ARG 1131 HA 0.10 0.31 1.04 -0.75 4.34 5.03 1s16A1 ARG 1131 HB2 0.05 -0.12 0.05 -0.04 1.90 1.84 1s16A1 ARG 1131 HB3 0.04 0.31 -0.04 -0.04 1.80 2.07 1s16A1 ARG 1131 HG2 0.03 0.00 -0.20 -0.04 1.67 1.46 1s16A1 ARG 1131 HG3 0.05 -0.08 -0.34 -0.04 1.67 1.26 1s16A1 ARG 1131 HD2 0.03 0.03 -0.32 -0.04 3.22 2.92 1s16A1 ARG 1131 HD3 0.03 -0.04 -0.21 -0.04 3.22 2.96 1s16A1 ARG 1132 H 0.19 0.68 0.29 -0.55 8.46 9.06 1s16A1 ARG 1132 HA 0.07 0.15 0.62 -0.75 4.34 4.42 1s16A1 ARG 1132 HB2 0.14 -0.07 -0.07 -0.04 1.90 1.85 1s16A1 ARG 1132 HB3 0.06 -0.04 0.03 -0.04 1.80 1.80 1s16A1 ARG 1132 HG2 0.02 0.14 0.20 -0.04 1.67 1.99 1s16A1 ARG 1132 HG3 0.06 0.06 -0.40 -0.04 1.67 1.35 1s16A1 ARG 1132 HD2 -0.00 0.15 -0.18 -0.04 3.22 3.15 1s16A1 ARG 1132 HD3 -0.02 -0.09 -0.18 -0.04 3.22 2.89 1s16A1 ASP 1133 H 0.05 0.24 0.17 -0.55 8.40 8.31 1s16A1 ASP 1133 HA 0.04 0.05 0.37 -0.75 4.63 4.33 1s16A1 ASP 1133 HB2 0.13 0.17 0.14 -0.04 2.71 3.11 1s16A1 ASP 1133 HB3 0.06 -0.01 0.19 -0.04 2.70 2.91 1s16A1 GLY 1134 H 0.03 0.19 -0.27 -0.55 8.43 7.83 1s16A1 GLY 1134 HA2 0.01 0.13 -0.08 -0.51 4.01 3.56 1s16A1 GLY 1134 HA3 0.00 0.02 0.41 -0.51 4.01 3.94 1s16A1 GLN 1135 H 0.02 0.36 -0.41 -0.55 8.47 7.90 1s16A1 GLN 1135 HA -0.11 0.21 1.06 -0.75 4.36 4.76 1s16A1 GLN 1135 HB2 -0.18 0.06 0.02 -0.04 2.15 2.01 1s16A1 GLN 1135 HB3 -0.46 -0.03 0.08 -0.04 2.02 1.57 1s16A1 GLN 1135 HG2 -0.08 0.06 -0.05 -0.04 2.40 2.29 1s16A1 GLN 1135 HG3 -0.02 0.14 -0.24 -0.04 2.39 2.23 1s16A1 GLN 1135 HE21 -0.03 -0.05 0.00 -0.04 6.97 6.84 1s16A1 GLN 1135 HE22 -0.06 0.02 -0.00 -0.04 7.69 7.61 1s16A1 VAL 1136 H -0.23 0.51 0.19 -0.55 8.24 8.16 1s16A1 VAL 1136 HA -0.03 0.38 1.11 -0.75 4.13 4.84 1s16A1 VAL 1136 HB -0.07 -0.10 -0.13 -0.04 2.12 1.78 1s16A1 VAL 1136 HG13 0.02 0.01 -0.20 -0.04 0.97 0.75 1s16A1 VAL 1136 HG23 -0.02 0.00 -0.42 -0.04 0.95 0.47 1s16A1 TYR 1137 H 0.19 0.75 0.43 -0.55 8.29 9.10 1s16A1 TYR 1137 HA 0.02 0.30 1.14 -0.75 4.56 5.27 1s16A1 TYR 1137 HB2 0.03 -0.08 0.10 -0.04 3.06 3.07 1s16A1 TYR 1137 HB3 0.03 -0.00 0.03 -0.04 2.98 2.99 1s16A1 TYR 1137 HD2 0.02 0.08 -0.14 -0.04 7.15 7.06 1s16A1 TYR 1137 HE2 0.01 0.08 -0.08 -0.04 6.85 6.81 1s16A1 ASN 1138 H 0.12 0.62 0.46 -0.55 8.53 9.19 1s16A1 ASN 1138 HA 0.10 0.37 1.15 -0.75 4.76 5.63 1s16A1 ASN 1138 HB2 0.05 -0.01 -0.07 -0.04 2.88 2.81 1s16A1 ASN 1138 HB3 0.04 0.01 0.05 -0.04 2.79 2.85 1s16A1 ASN 1138 HD21 0.06 -0.05 -0.07 -0.04 7.03 6.92 1s16A1 ASN 1138 HD22 0.08 0.04 -0.00 -0.04 7.74 7.81 1s16A1 ILE 1139 H 0.07 0.51 0.36 -0.55 8.25 8.64 1s16A1 ILE 1139 HA -0.06 0.25 0.45 -0.75 4.18 4.07 1s16A1 ILE 1139 HB 0.03 -0.02 -0.15 -0.04 1.89 1.71 1s16A1 ILE 1139 HG12 -0.48 0.01 -0.06 -0.04 1.49 0.92 1s16A1 ILE 1139 HG13 -0.17 0.31 0.17 -0.04 1.21 1.47 1s16A1 ILE 1139 HG23 0.18 -0.01 -0.13 -0.04 0.93 0.93 1s16A1 ILE 1139 HD13 0.06 -0.05 -0.03 -0.04 0.88 0.83 1s16A1 ALA 1140 H -0.29 0.45 0.32 -0.55 8.40 8.33 1s16A1 ALA 1140 HA 0.02 0.31 1.15 -0.75 4.34 5.06 1s16A1 ALA 1140 HB3 -0.04 -0.00 0.02 -0.04 1.41 1.35 1s16A1 PHE 1141 H 0.23 0.64 0.43 -0.55 8.34 9.08 1s16A1 PHE 1141 HA 0.03 0.14 0.89 -0.75 4.62 4.93 1s16A1 PHE 1141 HB2 0.07 -0.05 -0.15 -0.04 3.15 2.98 1s16A1 PHE 1141 HB3 0.04 0.04 -0.43 -0.04 3.06 2.67 1s16A1 PHE 1141 HD2 0.05 0.04 -0.31 -0.04 7.28 7.02 1s16A1 PHE 1141 HE2 0.03 -0.01 -0.17 -0.04 7.38 7.19 1s16A1 PHE 1141 HZ 0.02 -0.06 -0.17 -0.04 7.32 7.08 1s16A1 GLU 1142 H 0.17 0.81 0.20 -0.55 8.60 9.23 1s16A1 GLU 1142 HA 0.11 0.18 0.70 -0.75 4.29 4.53 1s16A1 GLU 1142 HB2 0.03 -0.03 0.09 -0.04 2.09 2.14 1s16A1 GLU 1142 HB3 0.03 0.06 0.12 -0.04 1.99 2.16 1s16A1 GLU 1142 HG2 -0.02 0.10 0.25 -0.04 2.34 2.62 1s16A1 GLU 1142 HG3 0.00 -0.12 -0.43 -0.04 2.34 1.75 1s16A1 ASN 1143 H 0.13 0.40 0.13 -0.55 8.53 8.64 1s16A1 ASN 1143 HA 0.13 0.14 0.32 -0.75 4.76 4.60 1s16A1 ASN 1143 HB2 0.07 0.10 0.14 -0.04 2.88 3.14 1s16A1 ASN 1143 HB3 0.09 -0.01 0.21 -0.04 2.79 3.05 1s16A1 ASN 1143 HD21 0.07 -0.05 0.07 -0.04 7.03 7.09 1s16A1 ASN 1143 HD22 0.12 0.06 0.06 -0.04 7.74 7.95 1s16A1 GLY 1144 H 0.12 0.08 -0.43 -0.55 8.43 7.65 1s16A1 GLY 1144 HA2 0.00 -0.02 -0.02 -0.51 4.01 3.47 1s16A1 GLY 1144 HA3 0.02 0.11 0.46 -0.51 4.01 4.09 1s16A1 GLU 1145 H 0.11 0.58 -0.47 -0.55 8.60 8.27 1s16A1 GLU 1145 HA 0.15 0.12 0.91 -0.75 4.29 4.72 1s16A1 GLU 1145 HB2 0.07 0.08 0.07 -0.04 2.09 2.27 1s16A1 GLU 1145 HB3 0.07 0.01 0.02 -0.04 1.99 2.05 1s16A1 GLU 1145 HG2 0.06 -0.02 -0.18 -0.04 2.34 2.15 1s16A1 GLU 1145 HG3 0.05 0.11 -0.02 -0.04 2.34 2.45 1s16A1 LYS 1146 H 0.20 0.13 0.16 -0.55 8.42 8.35 1s16A1 LYS 1146 HA -0.29 0.13 0.60 -0.75 4.32 4.01 1s16A1 LYS 1146 HB2 0.13 0.01 0.12 -0.04 1.87 2.09 1s16A1 LYS 1146 HB3 0.01 -0.01 0.11 -0.04 1.79 1.87 1s16A1 LYS 1146 HG2 -0.19 -0.11 -0.28 -0.04 1.46 0.84 1s16A1 LYS 1146 HG3 -0.61 0.14 0.06 -0.04 1.46 1.00 1s16A1 LYS 1146 HD2 -0.11 -0.06 -0.07 -0.04 1.69 1.41 1s16A1 LYS 1146 HD3 -0.01 -0.01 -0.00 -0.04 1.68 1.61 1s16A1 LYS 1146 HE2 0.01 0.03 -0.02 -0.04 2.99 2.97 1s16A1 LYS 1146 HE3 -0.04 -0.01 -0.12 -0.04 2.99 2.78 1s16A1 VAL 1147 H -0.22 0.43 0.35 -0.55 8.24 8.25 1s16A1 VAL 1147 HA -0.05 0.20 0.87 -0.75 4.13 4.40 1s16A1 VAL 1147 HB -0.04 -0.02 0.09 -0.04 2.12 2.11 1s16A1 VAL 1147 HG13 -0.00 0.06 -0.14 -0.04 0.97 0.85 1s16A1 VAL 1147 HG23 -0.07 -0.01 -0.27 -0.04 0.95 0.56 1s16A1 GLN 1148 H -0.23 0.24 0.17 -0.55 8.47 8.10 1s16A1 GLN 1148 HA -0.07 0.14 0.76 -0.75 4.36 4.43 1s16A1 GLN 1148 HB2 -0.08 0.10 -0.12 -0.04 2.15 2.01 1s16A1 GLN 1148 HB3 -0.13 -0.20 0.16 -0.04 2.02 1.80 1s16A1 GLN 1148 HG2 -0.04 -0.05 -0.10 -0.04 2.40 2.17 1s16A1 GLN 1148 HG3 -0.06 0.14 -0.26 -0.04 2.39 2.17 1s16A1 GLN 1148 HE21 -0.02 -0.07 -0.01 -0.04 6.97 6.83 1s16A1 GLN 1148 HE22 -0.03 0.53 -0.08 -0.04 7.69 8.08 1s16A1 ASP 1149 H -0.05 0.14 0.07 -0.55 8.40 8.01 1s16A1 ASP 1149 HA -0.07 -0.00 0.47 -0.75 4.63 4.27 1s16A1 ASP 1149 HB2 -0.02 0.00 0.08 -0.04 2.71 2.73 1s16A1 ASP 1149 HB3 -0.01 0.10 0.05 -0.04 2.70 2.80 1s16A1 LEU 1150 H -0.01 0.02 0.22 -0.55 8.37 8.06 1s16A1 LEU 1150 HA 0.04 0.27 0.58 -0.75 4.35 4.48 1s16A1 LEU 1150 HB2 0.03 -0.07 0.17 -0.04 1.64 1.73 1s16A1 LEU 1150 HB3 0.03 -0.03 0.18 -0.04 1.64 1.77 1s16A1 LEU 1150 HG 0.13 0.02 -0.23 -0.04 1.64 1.53 1s16A1 LEU 1150 HD13 0.07 0.02 -0.05 -0.04 0.93 0.93 1s16A1 LEU 1150 HD23 -0.04 -0.03 0.01 -0.04 0.89 0.78 1s16A1 GLN 1151 H 0.08 0.47 0.48 -0.55 8.47 8.96 1s16A1 GLN 1151 HA 0.06 0.09 0.81 -0.75 4.36 4.57 1s16A1 GLN 1151 HB2 0.01 -0.00 0.07 -0.04 2.15 2.19 1s16A1 GLN 1151 HB3 0.02 0.11 -0.19 -0.04 2.02 1.91 1s16A1 GLN 1151 HG2 0.02 0.12 0.05 -0.04 2.40 2.55 1s16A1 GLN 1151 HG3 0.02 -0.07 -0.28 -0.04 2.39 2.02 1s16A1 GLN 1151 HE21 -0.01 -0.02 -0.07 -0.04 6.97 6.83 1s16A1 GLN 1151 HE22 0.00 -0.05 -0.12 -0.04 7.69 7.48 1s16A1 VAL 1152 H 0.02 0.15 0.20 -0.55 8.24 8.06 1s16A1 VAL 1152 HA -0.19 0.22 0.87 -0.75 4.13 4.28 1s16A1 VAL 1152 HB -0.05 -0.02 0.21 -0.04 2.12 2.23 1s16A1 VAL 1152 HG13 -0.18 -0.01 0.03 -0.04 0.97 0.78 1s16A1 VAL 1152 HG23 -0.10 0.00 0.02 -0.04 0.95 0.83 1s16A1 VAL 1153 H -0.11 0.76 0.38 -0.55 8.24 8.71 1s16A1 VAL 1153 HA -0.03 0.21 0.99 -0.75 4.13 4.55 1s16A1 VAL 1153 HB -0.01 -0.03 0.12 -0.04 2.12 2.16 1s16A1 VAL 1153 HG13 0.00 0.00 -0.18 -0.04 0.97 0.76 1s16A1 VAL 1153 HG23 -0.01 0.01 -0.24 -0.04 0.95 0.67 1s16A1 GLY 1154 H -0.11 0.18 0.11 -0.55 8.43 8.06 1s16A1 GLY 1154 HA2 -0.05 0.03 0.27 -0.51 4.01 3.75 1s16A1 GLY 1154 HA3 -0.04 0.20 0.79 -0.51 4.01 4.45 1s16A1 THR 1155 H -0.04 0.20 0.22 -0.55 8.28 8.12 1s16A1 THR 1155 HA -0.06 0.29 1.07 -0.75 4.39 4.94 1s16A1 THR 1155 HB -0.02 0.10 0.13 -0.04 4.32 4.48 1s16A1 THR 1155 HG23 -0.04 0.00 -0.03 -0.04 1.22 1.11 1s16A1 CYS 1156 H -0.02 0.67 0.11 -0.55 8.50 8.71 1s16A1 CYS 1156 HA -0.01 0.08 0.53 -0.75 4.58 4.43 1s16A1 CYS 1156 HB2 0.00 -0.08 0.05 -0.04 2.97 2.90 1s16A1 CYS 1156 HB3 -0.01 0.04 -0.28 -0.04 2.97 2.68 1s16A1 GLY 1157 H 0.00 0.12 0.10 -0.55 8.43 8.10 1s16A1 GLY 1157 HA2 -0.00 0.08 0.49 -0.51 4.01 4.07 1s16A1 GLY 1157 HA3 0.00 0.02 0.33 -0.51 4.01 3.85 1s16A1 LYS 1158 H 0.00 0.15 0.20 -0.55 8.42 8.22 1s16A1 LYS 1158 HA 0.01 0.03 0.35 -0.75 4.32 3.95 1s16A1 LYS 1158 HB2 0.00 0.05 0.13 -0.04 1.87 2.01 1s16A1 LYS 1158 HB3 0.00 -0.03 0.11 -0.04 1.79 1.83 1s16A1 LYS 1158 HG2 0.01 0.02 -0.02 -0.04 1.46 1.42 1s16A1 LYS 1158 HG3 0.01 0.03 -0.18 -0.04 1.46 1.28 1s16A1 LYS 1158 HD2 0.02 -0.12 -0.07 -0.04 1.69 1.48 1s16A1 LYS 1158 HD3 0.01 0.08 -0.10 -0.04 1.68 1.63 1s16A1 LYS 1158 HE2 0.01 0.00 0.01 -0.04 2.99 2.97 1s16A1 LYS 1158 HE3 0.02 -0.02 0.02 -0.04 2.99 2.96 1s16A1 ARG 1159 H 0.01 0.02 -0.21 -0.55 8.46 7.72 1s16A1 ARG 1159 HA 0.01 0.15 0.45 -0.75 4.34 4.19 1s16A1 ASN 1160 H 0.01 0.32 -0.68 -0.55 8.53 7.64 1s16A1 ASN 1160 HA 0.01 0.13 0.70 -0.75 4.76 4.85 1s16A1 ASN 1160 HB2 0.01 -0.11 0.02 -0.04 2.88 2.75 1s16A1 ASN 1160 HB3 0.01 0.09 0.12 -0.04 2.79 2.97 1s16A1 ASN 1160 HD21 0.01 0.01 -0.10 -0.04 7.03 6.92 1s16A1 ASN 1160 HD22 0.01 -0.14 -0.01 -0.04 7.74 7.55 1s16A1 THR 1161 H 0.02 0.31 0.19 -0.55 8.28 8.26 1s16A1 THR 1161 HA 0.04 0.24 0.86 -0.75 4.39 4.78 1s16A1 THR 1161 HB 0.02 0.06 0.08 -0.04 4.32 4.44 1s16A1 THR 1161 HG23 0.02 -0.06 -0.17 -0.04 1.22 0.96 1s16A1 GLY 1162 H 0.04 0.37 0.25 -0.55 8.43 8.55 1s16A1 GLY 1162 HA2 0.04 -0.15 0.15 -0.51 4.01 3.54 1s16A1 GLY 1162 HA3 0.04 0.28 0.73 -0.51 4.01 4.55 1s16A1 THR 1163 H 0.05 0.24 0.30 -0.55 8.28 8.32 1s16A1 THR 1163 HA 0.06 0.36 1.26 -0.75 4.39 5.33 1s16A1 THR 1163 HB 0.05 -0.04 0.07 -0.04 4.32 4.36 1s16A1 THR 1163 HG23 0.06 0.03 -0.09 -0.04 1.22 1.18 1s16A1 SER 1164 H 0.08 0.60 0.43 -0.55 8.46 9.02 1s16A1 SER 1164 HA 0.06 0.28 1.14 -0.75 4.49 5.22 1s16A1 SER 1164 HB2 0.06 0.02 -0.05 -0.04 3.95 3.93 1s16A1 SER 1164 HB3 0.08 -0.02 0.16 -0.04 3.93 4.12 1s16A1 VAL 1165 H 0.09 0.67 0.38 -0.55 8.24 8.82 1s16A1 VAL 1165 HA 0.16 0.31 1.17 -0.75 4.13 5.02 1s16A1 VAL 1165 HB 0.12 -0.05 0.18 -0.04 2.12 2.34 1s16A1 VAL 1165 HG13 0.16 -0.00 -0.13 -0.04 0.97 0.97 1s16A1 VAL 1165 HG23 0.07 -0.01 -0.13 -0.04 0.95 0.84 1s16A1 HIS 1166 H 0.28 0.71 0.34 -0.55 8.41 9.19 1s16A1 HIS 1166 HA -0.07 0.29 1.14 -0.75 4.63 5.25 1s16A1 HIS 1166 HB2 0.01 -0.03 -0.08 -0.04 3.26 3.11 1s16A1 HIS 1166 HB3 0.10 -0.03 0.17 -0.04 3.20 3.39 1s16A1 HIS 1166 HD2 -0.87 0.18 -0.15 -0.04 6.97 6.09 1s16A1 HIS 1166 HE1 -0.67 -0.02 -0.10 -0.04 7.75 6.91 1s16A1 PHE 1167 H -0.09 0.61 0.37 -0.55 8.34 8.68 1s16A1 PHE 1167 HA 0.28 0.31 1.20 -0.75 4.62 5.65 1s16A1 PHE 1167 HB2 0.18 0.09 0.01 -0.04 3.15 3.39 1s16A1 PHE 1167 HB3 0.14 -0.06 -0.11 -0.04 3.06 2.99 1s16A1 PHE 1167 HD2 0.10 0.01 -0.16 -0.04 7.28 7.20 1s16A1 PHE 1167 HE2 0.11 -0.01 -0.07 -0.04 7.38 7.36 1s16A1 PHE 1167 HZ 0.21 -0.09 -0.18 -0.04 7.32 7.22 1s16A1 TRP 1168 H 0.67 0.67 0.31 -0.55 7.97 9.07 1s16A1 TRP 1168 HA 0.03 0.16 0.92 -0.75 4.62 4.99 1s16A1 TRP 1168 HB2 0.06 -0.10 0.25 -0.04 3.23 3.41 1s16A1 TRP 1168 HB3 0.06 0.09 0.09 -0.04 3.23 3.43 1s16A1 TRP 1168 HD1 0.01 0.11 -0.03 -0.04 7.22 7.26 1s16A1 TRP 1168 HE1 -0.07 -0.04 -0.07 -0.04 10.20 9.98 1s16A1 TRP 1168 HE3 -0.02 0.22 -0.15 -0.04 7.59 7.60 1s16A1 TRP 1168 HZ2 -0.36 -0.02 -0.10 -0.04 7.44 6.92 1s16A1 TRP 1168 HZ3 -0.21 0.05 -0.17 -0.04 7.13 6.75 1s16A1 TRP 1168 HH2 -0.59 -0.00 -0.11 -0.04 7.19 6.44 1s16A1 PRO 1169 HA 0.38 0.14 0.53 -0.51 4.44 4.98 1s16A1 PRO 1169 HB2 0.01 0.04 0.04 -0.04 2.28 2.33 1s16A1 PRO 1169 HB3 0.00 0.04 0.08 -0.04 2.02 2.10 1s16A1 PRO 1169 HG2 -0.03 0.05 0.11 -0.04 2.03 2.12 1s16A1 PRO 1169 HG3 0.42 -0.02 0.04 -0.04 2.03 2.43 1s16A1 PRO 1169 HD2 0.12 0.26 0.31 -0.04 3.68 4.33 1s16A1 PRO 1169 HD3 -0.10 0.20 0.26 -0.04 3.65 3.97 1s16A1 ASP 1170 H 0.46 0.79 0.42 -0.55 8.40 9.52 1s16A1 ASP 1170 HA 0.22 0.07 0.77 -0.75 4.63 4.94 1s16A1 ASP 1170 HB2 0.33 -0.02 -0.10 -0.04 2.71 2.88 1s16A1 ASP 1170 HB3 0.62 0.10 0.16 -0.04 2.70 3.54 1s16A1 GLU 1171 H 0.16 0.25 0.16 -0.55 8.60 8.63 1s16A1 GLU 1171 HA 0.27 0.04 0.26 -0.75 4.29 4.10 1s16A1 GLU 1171 HB2 0.09 0.05 0.06 -0.04 2.09 2.24 1s16A1 GLU 1171 HB3 0.10 0.03 0.13 -0.04 1.99 2.21 1s16A1 GLU 1171 HG2 0.03 0.03 -0.12 -0.04 2.34 2.24 1s16A1 GLU 1171 HG3 0.05 0.02 -0.01 -0.04 2.34 2.36 1s16A1 THR 1172 H -0.03 -0.01 -0.54 -0.55 8.28 7.16 1s16A1 THR 1172 HA -0.11 0.08 0.36 -0.75 4.39 3.96 1s16A1 THR 1172 HB -0.61 0.01 -0.02 -0.04 4.32 3.67 1s16A1 THR 1172 HG23 -0.39 0.01 -0.03 -0.04 1.22 0.77 1s16A1 PHE 1173 H 0.03 0.45 -0.26 -0.55 8.34 8.02 1s16A1 PHE 1173 HA -0.17 0.20 0.83 -0.75 4.62 4.72 1s16A1 PHE 1173 HB2 -0.63 0.04 0.03 -0.04 3.15 2.55 1s16A1 PHE 1173 HB3 -0.52 -0.08 0.08 -0.04 3.06 2.50 1s16A1 PHE 1173 HD2 -0.03 0.06 0.06 -0.04 7.28 7.32 1s16A1 PHE 1173 HE2 0.00 0.10 0.03 -0.04 7.38 7.47 1s16A1 PHE 1173 HZ -0.00 -0.00 0.01 -0.04 7.32 7.28 1s16A1 PHE 1174 H 0.17 0.32 -0.22 -0.55 8.34 8.05 1s16A1 PHE 1174 HA 0.06 0.33 1.00 -0.75 4.62 5.26 1s16A1 PHE 1174 HB2 0.03 -0.02 -0.23 -0.04 3.15 2.88 1s16A1 PHE 1174 HB3 0.01 -0.01 -0.20 -0.04 3.06 2.81 1s16A1 PHE 1174 HD2 0.07 0.00 -0.29 -0.04 7.28 7.02 1s16A1 PHE 1174 HE2 0.12 0.04 -0.10 -0.04 7.38 7.39 1s16A1 PHE 1174 HZ 0.06 -0.03 -0.09 -0.04 7.32 7.22 1s16A1 ASP 1175 H 0.17 0.50 0.25 -0.55 8.40 8.77 1s16A1 ASP 1175 HA 0.06 0.03 0.48 -0.75 4.63 4.44 1s16A1 ASP 1175 HB2 0.07 0.25 0.34 -0.04 2.71 3.34 1s16A1 ASP 1175 HB3 0.04 -0.08 0.10 -0.04 2.70 2.73 1s16A1 SER 1176 H 0.12 0.34 0.04 -0.55 8.46 8.41 1s16A1 SER 1176 HA 0.05 0.20 0.77 -0.75 4.49 4.75 1s16A1 SER 1176 HB2 0.03 0.04 -0.02 -0.04 3.95 3.96 1s16A1 SER 1176 HB3 0.02 0.03 0.15 -0.04 3.93 4.08 1s16A1 PRO 1177 HA -0.09 0.11 0.61 -0.51 4.44 4.56 1s16A1 PRO 1177 HB2 0.04 0.05 0.08 -0.04 2.28 2.40 1s16A1 PRO 1177 HB3 0.07 -0.00 0.09 -0.04 2.02 2.14 1s16A1 PRO 1177 HG2 0.03 0.00 0.01 -0.04 2.03 2.03 1s16A1 PRO 1177 HG3 0.05 0.05 0.06 -0.04 2.03 2.15 1s16A1 PRO 1177 HD2 0.03 0.07 0.24 -0.04 3.68 3.98 1s16A1 PRO 1177 HD3 0.05 0.26 0.09 -0.04 3.65 4.01 1s16A1 ARG 1178 H -0.02 0.06 -0.16 -0.55 8.46 7.79 1s16A1 ARG 1178 HA 0.03 0.10 0.52 -0.75 4.34 4.24 1s16A1 ARG 1178 HB2 0.03 0.02 0.08 -0.04 1.90 1.99 1s16A1 ARG 1178 HB3 0.01 -0.03 0.00 -0.04 1.80 1.75 1s16A1 ARG 1178 HG2 0.07 0.14 -0.10 -0.04 1.67 1.75 1s16A1 ARG 1178 HG3 0.07 -0.00 0.06 -0.04 1.67 1.76 1s16A1 ARG 1178 HD2 0.05 -0.01 0.00 -0.04 3.22 3.21 1s16A1 ARG 1178 HD3 0.04 0.03 0.01 -0.04 3.22 3.25 1s16A1 PHE 1179 H 0.23 0.15 0.17 -0.55 8.34 8.34 1s16A1 PHE 1179 HA -0.04 0.02 0.55 -0.75 4.62 4.39 1s16A1 PHE 1179 HB2 -0.00 -0.00 0.08 -0.04 3.15 3.18 1s16A1 PHE 1179 HB3 -0.01 -0.02 -0.17 -0.04 3.06 2.83 1s16A1 PHE 1179 HD2 -0.05 -0.01 -0.02 -0.04 7.28 7.16 1s16A1 PHE 1179 HE2 -0.08 0.11 -0.05 -0.04 7.38 7.32 1s16A1 PHE 1179 HZ -0.15 0.01 -0.04 -0.04 7.32 7.10 1s16A1 SER 1180 H 0.07 0.09 0.11 -0.55 8.46 8.19 1s16A1 SER 1180 HA 0.06 0.15 0.57 -0.75 4.49 4.52 1s16A1 SER 1180 HB2 0.02 0.15 0.09 -0.04 3.95 4.17 1s16A1 SER 1180 HB3 0.03 -0.05 0.17 -0.04 3.93 4.05 1s16A1 VAL 1181 H 0.07 0.27 0.18 -0.55 8.24 8.21 1s16A1 VAL 1181 HA 0.05 0.09 0.40 -0.75 4.13 3.92 1s16A1 VAL 1181 HB 0.09 0.02 0.13 -0.04 2.12 2.32 1s16A1 VAL 1181 HG13 0.20 0.01 -0.16 -0.04 0.97 0.99 1s16A1 VAL 1181 HG23 0.16 0.04 0.02 -0.04 0.95 1.12 1s16A1 SER 1182 H 0.04 0.14 -0.03 -0.55 8.46 8.06 1s16A1 SER 1182 HA 0.04 0.12 0.37 -0.75 4.49 4.26 1s16A1 SER 1182 HB2 0.01 0.10 -0.00 -0.04 3.95 4.02 1s16A1 SER 1182 HB3 0.03 0.06 0.07 -0.04 3.93 4.06 1s16A1 ARG 1183 H 0.00 0.04 -0.38 -0.55 8.46 7.57 1s16A1 ARG 1183 HA -0.01 0.13 0.40 -0.75 4.34 4.10 1s16A1 ARG 1183 HB2 0.01 0.02 0.06 -0.04 1.90 1.95 1s16A1 ARG 1183 HB3 0.00 0.03 -0.02 -0.04 1.80 1.77 1s16A1 ARG 1183 HG2 -0.04 0.08 -0.01 -0.04 1.67 1.66 1s16A1 ARG 1183 HG3 -0.01 -0.07 -0.01 -0.04 1.67 1.54 1s16A1 ARG 1183 HD2 0.01 -0.06 0.02 -0.04 3.22 3.14 1s16A1 ARG 1183 HD3 0.01 0.01 -0.00 -0.04 3.22 3.19 1s16A1 LEU 1184 H -0.06 0.35 -0.28 -0.55 8.37 7.84 1s16A1 LEU 1184 HA -0.13 0.03 0.37 -0.75 4.35 3.86 1s16A1 LEU 1184 HB2 -0.13 0.21 0.17 -0.04 1.64 1.84 1s16A1 LEU 1184 HB3 -0.60 0.05 0.04 -0.04 1.64 1.09 1s16A1 LEU 1184 HG -0.48 -0.00 -0.09 -0.04 1.64 1.02 1s16A1 LEU 1184 HD13 -0.05 -0.01 -0.02 -0.04 0.93 0.80 1s16A1 LEU 1184 HD23 -0.09 -0.01 -0.11 -0.04 0.89 0.64 1s16A1 THR 1185 H -0.19 0.58 -0.08 -0.55 8.28 8.04 1s16A1 THR 1185 HA -0.30 0.01 0.34 -0.75 4.39 3.70 1s16A1 THR 1185 HB 0.21 -0.00 -0.02 -0.04 4.32 4.46 1s16A1 THR 1185 HG23 0.10 0.03 -0.02 -0.04 1.22 1.29 1s16A1 HIS 1186 H -0.00 0.46 -0.30 -0.55 8.41 8.01 1s16A1 HIS 1186 HA -0.14 0.04 0.39 -0.75 4.63 4.16 1s16A1 HIS 1186 HB2 -0.05 0.04 0.09 -0.04 3.26 3.30 1s16A1 HIS 1186 HB3 -0.07 0.05 0.17 -0.04 3.20 3.31 1s16A1 HIS 1186 HD2 -0.02 0.01 -0.02 -0.04 6.97 6.90 1s16A1 HIS 1186 HE1 0.05 -0.01 -0.08 -0.04 7.75 7.66 1s16A1 VAL 1187 H -0.03 0.57 -0.13 -0.55 8.24 8.10 1s16A1 VAL 1187 HA -0.06 0.03 0.38 -0.75 4.13 3.72 1s16A1 VAL 1187 HB -0.09 0.09 0.17 -0.04 2.12 2.25 1s16A1 VAL 1187 HG13 -0.07 -0.02 -0.13 -0.04 0.97 0.72 1s16A1 VAL 1187 HG23 0.04 0.00 0.04 -0.04 0.95 0.99 1s16A1 LEU 1188 H -0.30 0.54 -0.17 -0.55 8.37 7.89 1s16A1 LEU 1188 HA -0.19 0.02 0.35 -0.75 4.35 3.77 1s16A1 LEU 1188 HB2 -0.47 0.03 0.05 -0.04 1.64 1.21 1s16A1 LEU 1188 HB3 -0.09 -0.03 -0.12 -0.04 1.64 1.37 1s16A1 LEU 1188 HG -0.19 0.16 0.03 -0.04 1.64 1.59 1s16A1 LEU 1188 HD13 -0.04 -0.02 -0.15 -0.04 0.93 0.69 1s16A1 LEU 1188 HD23 -0.03 -0.01 -0.06 -0.04 0.89 0.75 1s16A1 LYS 1189 H -0.92 0.66 -0.13 -0.55 8.42 7.47 1s16A1 LYS 1189 HA -1.16 -0.01 0.34 -0.75 4.32 2.74 1s16A1 LYS 1189 HB2 -1.54 0.00 0.07 -0.04 1.87 0.35 1s16A1 LYS 1189 HB3 -0.62 0.11 0.10 -0.04 1.79 1.34 1s16A1 LYS 1189 HG2 -0.32 -0.02 -0.30 -0.04 1.46 0.78 1s16A1 LYS 1189 HG3 -0.35 -0.06 -0.03 -0.04 1.46 0.98 1s16A1 LYS 1189 HD2 0.04 -0.02 -0.06 -0.04 1.69 1.61 1s16A1 LYS 1189 HD3 -0.05 0.03 -0.07 -0.04 1.68 1.55 1s16A1 LYS 1189 HE2 0.11 -0.01 -0.10 -0.04 2.99 2.95 1s16A1 LYS 1189 HE3 0.27 -0.03 -0.07 -0.04 2.99 3.11 1s16A1 ALA 1190 H -0.46 0.49 -0.32 -0.55 8.40 7.56 1s16A1 ALA 1190 HA -0.61 -0.03 0.32 -0.75 4.34 3.26 1s16A1 ALA 1190 HB3 -0.34 0.05 0.03 -0.04 1.41 1.12 1s16A1 LYS 1191 H -0.25 0.39 -0.28 -0.55 8.42 7.73 1s16A1 LYS 1191 HA -0.17 0.00 0.32 -0.75 4.32 3.72 1s16A1 LYS 1191 HB2 -0.09 0.12 0.06 -0.04 1.87 1.91 1s16A1 LYS 1191 HB3 -0.07 -0.05 -0.04 -0.04 1.79 1.60 1s16A1 LYS 1191 HG2 -0.13 0.25 0.07 -0.04 1.46 1.60 1s16A1 LYS 1191 HG3 -0.07 -0.10 -0.05 -0.04 1.46 1.20 1s16A1 LYS 1191 HD2 -0.06 -0.04 -0.02 -0.04 1.69 1.52 1s16A1 LYS 1191 HD3 -0.11 -0.02 -0.04 -0.04 1.68 1.47 1s16A1 LYS 1191 HE2 -0.06 -0.01 -0.09 -0.04 2.99 2.79 1s16A1 LYS 1191 HE3 -0.05 -0.11 -0.09 -0.04 2.99 2.70 1s16A1 ALA 1192 H -0.12 0.38 -0.24 -0.55 8.40 7.87 1s16A1 ALA 1192 HA 0.02 0.17 0.33 -0.75 4.34 4.10 1s16A1 ALA 1192 HB3 0.13 -0.01 -0.07 -0.04 1.41 1.42 1s16A1 VAL 1193 H -0.18 0.41 -0.30 -0.55 8.24 7.61 1s16A1 VAL 1193 HA -0.08 -0.02 0.36 -0.75 4.13 3.62 1s16A1 VAL 1193 HB -0.62 0.10 0.08 -0.04 2.12 1.64 1s16A1 VAL 1193 HG13 -0.50 -0.06 -0.33 -0.04 0.97 0.04 1s16A1 VAL 1193 HG23 -0.71 0.03 -0.12 -0.04 0.95 0.12 1s16A1 LEU 1194 H -0.29 0.71 -0.09 -0.55 8.37 8.15 1s16A1 LEU 1194 HA -0.19 -0.01 0.41 -0.75 4.35 3.82 1s16A1 LEU 1194 HB2 -0.28 0.09 0.00 -0.04 1.64 1.42 1s16A1 LEU 1194 HB3 -0.22 -0.12 -0.00 -0.04 1.64 1.27 1s16A1 LEU 1194 HG -0.56 0.09 -0.04 -0.04 1.64 1.08 1s16A1 LEU 1194 HD13 -1.15 -0.04 -0.17 -0.04 0.93 -0.47 1s16A1 LEU 1194 HD23 -0.28 -0.03 -0.16 -0.04 0.89 0.39 1s16A1 CYS 1195 H -0.08 0.42 -0.49 -0.55 8.50 7.80 1s16A1 CYS 1195 HA -0.04 0.12 0.79 -0.75 4.58 4.70 1s16A1 CYS 1195 HB2 -0.04 -0.10 -0.10 -0.04 2.97 2.69 1s16A1 CYS 1195 HB3 -0.03 0.03 0.11 -0.04 2.97 3.04 1s16A1 PRO 1196 HA 0.02 0.27 0.58 -0.51 4.44 4.80 1s16A1 PRO 1196 HB2 -0.00 -0.07 0.15 -0.04 2.28 2.31 1s16A1 PRO 1196 HB3 -0.01 0.26 0.18 -0.04 2.02 2.42 1s16A1 PRO 1196 HG2 -0.02 -0.05 0.11 -0.04 2.03 2.03 1s16A1 PRO 1196 HG3 -0.03 -0.04 0.09 -0.04 2.03 2.01 1s16A1 PRO 1196 HD2 -0.03 0.08 0.08 -0.04 3.68 3.76 1s16A1 PRO 1196 HD3 -0.05 0.16 -0.13 -0.04 3.65 3.59 1s16A1 GLY 1197 H 0.02 0.27 0.16 -0.55 8.43 8.33 1s16A1 GLY 1197 HA2 -0.00 -0.12 0.31 -0.51 4.01 3.68 1s16A1 GLY 1197 HA3 -0.00 0.14 0.70 -0.51 4.01 4.34 1s16A1 VAL 1198 H 0.00 0.50 -0.29 -0.55 8.24 7.91 1s16A1 VAL 1198 HA 0.00 0.12 0.49 -0.75 4.13 3.99 1s16A1 VAL 1198 HB 0.00 0.04 -0.00 -0.04 2.12 2.12 1s16A1 VAL 1198 HG13 0.00 0.11 -0.08 -0.04 0.97 0.97 1s16A1 VAL 1198 HG23 0.02 -0.04 -0.33 -0.04 0.95 0.56 1s16A1 GLU 1199 H 0.01 0.64 0.45 -0.55 8.60 9.14 1s16A1 GLU 1199 HA 0.00 0.21 0.92 -0.75 4.29 4.68 1s16A1 GLU 1199 HB2 -0.02 0.06 0.11 -0.04 2.09 2.21 1s16A1 GLU 1199 HB3 -0.00 -0.07 0.23 -0.04 1.99 2.10 1s16A1 GLU 1199 HG2 -0.02 -0.10 -0.17 -0.04 2.34 2.00 1s16A1 GLU 1199 HG3 -0.03 0.06 -0.03 -0.04 2.34 2.30 1s16A1 ILE 1200 H 0.09 0.70 0.40 -0.55 8.25 8.90 1s16A1 ILE 1200 HA 0.10 0.24 1.12 -0.75 4.18 4.89 1s16A1 ILE 1200 HB 0.34 -0.05 0.12 -0.04 1.89 2.26 1s16A1 ILE 1200 HG12 0.07 0.13 -0.32 -0.04 1.49 1.32 1s16A1 ILE 1200 HG13 0.03 -0.02 -0.11 -0.04 1.21 1.07 1s16A1 ILE 1200 HG23 0.20 -0.00 -0.09 -0.04 0.93 1.01 1s16A1 ILE 1200 HD13 0.03 0.01 -0.15 -0.04 0.88 0.73 1s16A1 THR 1201 H 0.12 0.58 0.46 -0.55 8.28 8.88 1s16A1 THR 1201 HA -0.01 0.25 1.17 -0.75 4.39 5.05 1s16A1 THR 1201 HB -0.07 0.06 0.11 -0.04 4.32 4.38 1s16A1 THR 1201 HG23 -0.04 0.00 -0.21 -0.04 1.22 0.93 1s16A1 PHE 1202 H -0.00 0.59 0.28 -0.55 8.34 8.66 1s16A1 PHE 1202 HA 0.01 0.29 0.99 -0.75 4.62 5.15 1s16A1 PHE 1202 HB2 0.31 0.05 -0.15 -0.04 3.15 3.32 1s16A1 PHE 1202 HB3 0.23 -0.04 0.07 -0.04 3.06 3.27 1s16A1 PHE 1202 HD2 0.07 0.03 -0.11 -0.04 7.28 7.23 1s16A1 PHE 1202 HE2 -0.04 -0.02 -0.13 -0.04 7.38 7.15 1s16A1 PHE 1202 HZ -0.04 -0.04 -0.08 -0.04 7.32 7.12 1s16A1 LYS 1203 H -0.33 0.71 0.37 -0.55 8.42 8.61 1s16A1 LYS 1203 HA -0.39 0.22 1.10 -0.75 4.32 4.50 1s16A1 LYS 1203 HB2 -0.21 0.01 0.05 -0.04 1.87 1.68 1s16A1 LYS 1203 HB3 -0.29 -0.05 0.23 -0.04 1.79 1.63 1s16A1 LYS 1203 HG2 -0.24 -0.05 -0.19 -0.04 1.46 0.93 1s16A1 LYS 1203 HG3 -0.20 0.09 0.04 -0.04 1.46 1.35 1s16A1 LYS 1203 HD2 -0.14 0.01 -0.04 -0.04 1.69 1.48 1s16A1 LYS 1203 HD3 -0.17 -0.04 -0.05 -0.04 1.68 1.37 1s16A1 LYS 1203 HE2 -0.11 0.03 -0.07 -0.04 2.99 2.80 1s16A1 LYS 1203 HE3 -0.09 0.00 -0.06 -0.04 2.99 2.80 1s16A1 ASP 1204 H -0.47 0.62 0.24 -0.55 8.40 8.23 1s16A1 ASP 1204 HA -0.46 0.11 0.94 -0.75 4.63 4.46 1s16A1 ASP 1204 HB2 -0.43 0.06 0.01 -0.04 2.71 2.31 1s16A1 ASP 1204 HB3 -0.19 -0.00 0.19 -0.04 2.70 2.65 1s16A1 GLU 1205 H -0.23 0.86 0.33 -0.55 8.60 9.01 1s16A1 GLU 1205 HA -0.11 0.17 0.79 -0.75 4.29 4.38 1s16A1 GLU 1205 HB2 -0.11 -0.10 0.21 -0.04 2.09 2.04 1s16A1 GLU 1205 HB3 -0.07 0.02 0.20 -0.04 1.99 2.10 1s16A1 GLU 1205 HG2 -0.18 0.03 -0.17 -0.04 2.34 1.97 1s16A1 GLU 1205 HG3 -0.30 0.13 -0.08 -0.04 2.34 2.04 1s16A1 ILE 1206 H -0.08 -0.02 -0.19 -0.55 8.25 7.41 1s16A1 ILE 1206 HA -0.00 0.20 0.72 -0.75 4.18 4.35 1s16A1 ILE 1206 HB 0.01 -0.11 0.06 -0.04 1.89 1.81 1s16A1 ILE 1206 HG12 0.02 0.12 0.03 -0.04 1.49 1.62 1s16A1 ILE 1206 HG13 -0.01 -0.08 -0.32 -0.04 1.21 0.75 1s16A1 ILE 1206 HG23 0.03 0.03 -0.10 -0.04 0.93 0.85 1s16A1 ILE 1206 HD13 0.05 -0.00 0.00 -0.04 0.88 0.89 1s16A1 ASN 1207 H -0.04 -0.08 -0.10 -0.55 8.53 7.77 1s16A1 ASN 1207 HA -0.00 0.27 0.78 -0.75 4.76 5.05 1s16A1 ASN 1207 HB2 0.01 -0.07 -0.02 -0.04 2.88 2.76 1s16A1 ASN 1207 HB3 0.01 0.07 0.08 -0.04 2.79 2.91 1s16A1 ASN 1207 HD21 0.06 0.03 -0.04 -0.04 7.03 7.03 1s16A1 ASN 1207 HD22 0.06 -0.06 -0.02 -0.04 7.74 7.67 1s16A1 ASN 1208 H -0.06 -0.05 -0.30 -0.55 8.53 7.57 1s16A1 ASN 1208 HA -0.08 0.07 0.41 -0.75 4.76 4.41 1s16A1 ASN 1208 HB2 -0.03 0.15 -0.00 -0.04 2.88 2.96 1s16A1 ASN 1208 HB3 -0.04 -0.02 0.12 -0.04 2.79 2.80 1s16A1 ASN 1208 HD21 -0.01 0.03 -0.14 -0.04 7.03 6.87 1s16A1 ASN 1208 HD22 -0.02 0.04 -0.25 -0.04 7.74 7.48 1s16A1 THR 1209 H -0.13 0.38 0.26 -0.55 8.28 8.24 1s16A1 THR 1209 HA -0.07 0.24 0.83 -0.75 4.39 4.64 1s16A1 THR 1209 HB -0.04 -0.00 0.07 -0.04 4.32 4.31 1s16A1 THR 1209 HG23 -0.01 0.04 -0.27 -0.04 1.22 0.95 1s16A1 GLU 1210 H -0.10 0.32 0.16 -0.55 8.60 8.43 1s16A1 GLU 1210 HA -0.21 0.20 0.86 -0.75 4.29 4.39 1s16A1 GLU 1210 HB2 -0.15 0.02 -0.18 -0.04 2.09 1.74 1s16A1 GLU 1210 HB3 -0.13 0.01 0.05 -0.04 1.99 1.87 1s16A1 GLU 1210 HG2 -0.16 0.06 -0.16 -0.04 2.34 2.03 1s16A1 GLU 1210 HG3 -0.18 -0.04 0.02 -0.04 2.34 2.10 1s16A1 GLN 1211 H -0.21 0.53 0.35 -0.55 8.47 8.59 1s16A1 GLN 1211 HA -0.35 0.21 0.96 -0.75 4.36 4.43 1s16A1 GLN 1211 HB2 -0.65 -0.04 0.02 -0.04 2.15 1.44 1s16A1 GLN 1211 HB3 -0.90 0.05 0.07 -0.04 2.02 1.19 1s16A1 GLN 1211 HG2 -0.12 0.09 -0.07 -0.04 2.40 2.26 1s16A1 GLN 1211 HG3 -0.07 -0.15 -0.36 -0.04 2.39 1.76 1s16A1 GLN 1211 HE21 0.39 -0.03 -0.08 -0.04 6.97 7.22 1s16A1 GLN 1211 HE22 0.28 -0.04 -0.10 -0.04 7.69 7.79 1s16A1 ARG 1212 H -0.73 0.30 0.21 -0.55 8.46 7.69 1s16A1 ARG 1212 HA -0.39 0.26 1.00 -0.75 4.34 4.45 1s16A1 ARG 1212 HB2 -0.23 -0.01 -0.19 -0.04 1.90 1.43 1s16A1 ARG 1212 HB3 -0.27 -0.02 0.04 -0.04 1.80 1.50 1s16A1 ARG 1212 HG2 -0.12 0.12 -0.02 -0.04 1.67 1.60 1s16A1 ARG 1212 HG3 -0.12 -0.04 -0.09 -0.04 1.67 1.39 1s16A1 ARG 1212 HD2 -0.16 -0.03 -0.11 -0.04 3.22 2.88 1s16A1 ARG 1212 HD3 -0.19 -0.02 -0.47 -0.04 3.22 2.50 1s16A1 TRP 1213 H 0.05 0.82 0.39 -0.55 7.97 8.68 1s16A1 TRP 1213 HA -0.24 0.15 0.96 -0.75 4.62 4.74 1s16A1 TRP 1213 HB2 -0.04 0.01 0.08 -0.04 3.23 3.24 1s16A1 TRP 1213 HB3 -0.07 0.02 -0.01 -0.04 3.23 3.14 1s16A1 TRP 1213 HD1 0.15 0.03 -0.01 -0.04 7.22 7.35 1s16A1 TRP 1213 HE1 0.08 0.01 -0.06 -0.04 10.20 10.18 1s16A1 TRP 1213 HE3 0.00 0.10 -0.29 -0.04 7.59 7.36 1s16A1 TRP 1213 HZ2 0.06 0.00 -0.08 -0.04 7.44 7.38 1s16A1 TRP 1213 HZ3 0.08 -0.02 -0.30 -0.04 7.13 6.85 1s16A1 TRP 1213 HH2 0.09 -0.06 -0.08 -0.04 7.19 7.10 1s16A1 CYS 1214 H -0.54 0.23 0.04 -0.55 8.50 7.68 1s16A1 CYS 1214 HA -0.10 0.29 0.57 -0.75 4.58 4.59 1s16A1 CYS 1214 HB2 -0.08 0.02 -0.16 -0.04 2.97 2.70 1s16A1 CYS 1214 HB3 -0.14 -0.07 0.00 -0.04 2.97 2.72 1s16A1 TYR 1215 H 0.02 0.43 0.07 -0.55 8.29 8.26 1s16A1 TYR 1215 HA 0.01 0.09 0.92 -0.75 4.56 4.82 1s16A1 TYR 1215 HB2 -0.04 0.27 -0.10 -0.04 3.06 3.14 1s16A1 TYR 1215 HB3 -0.01 -0.14 -0.23 -0.04 2.98 2.56 1s16A1 TYR 1215 HD2 -0.00 0.03 -0.30 -0.04 7.15 6.84 1s16A1 TYR 1215 HE2 0.07 0.03 -0.08 -0.04 6.85 6.82 1s16A1 GLN 1216 H 0.09 0.07 0.11 -0.55 8.47 8.19 1s16A1 GLN 1216 HA 0.03 0.14 0.64 -0.75 4.36 4.42 1s16A1 GLN 1216 HB2 0.03 -0.09 0.11 -0.04 2.15 2.16 1s16A1 GLN 1216 HB3 0.01 0.05 0.04 -0.04 2.02 2.08 1s16A1 GLN 1216 HG2 0.02 -0.04 -0.00 -0.04 2.40 2.33 1s16A1 GLN 1216 HG3 0.01 0.01 0.01 -0.04 2.39 2.37 1s16A1 GLN 1216 HE21 -0.01 0.07 -0.04 -0.04 6.97 6.96 1s16A1 GLN 1216 HE22 -0.01 -0.01 -0.08 -0.04 7.69 7.54 1s16A1 ASP 1217 H 0.06 -0.07 -0.01 -0.55 8.40 7.84 1s16A1 ASP 1217 HA -0.01 0.15 0.51 -0.75 4.63 4.53 1s16A1 ASP 1217 HB2 0.01 -0.09 0.19 -0.04 2.71 2.78 1s16A1 ASP 1217 HB3 -0.02 -0.02 0.13 -0.04 2.70 2.76 1s16A1 GLY 1218 H -0.04 0.02 0.00 -0.55 8.43 7.87 1s16A1 GLY 1218 HA2 -0.16 0.04 0.23 -0.51 4.01 3.60 1s16A1 GLY 1218 HA3 -0.10 0.46 0.84 -0.51 4.01 4.70 1s16A1 LEU 1219 H -0.10 0.31 -0.03 -0.55 8.37 8.00 1s16A1 LEU 1219 HA -0.04 0.08 0.25 -0.75 4.35 3.89 1s16A1 LEU 1219 HB2 -0.09 0.01 0.05 -0.04 1.64 1.57 1s16A1 LEU 1219 HB3 -0.06 0.05 -0.17 -0.04 1.64 1.41 1s16A1 LEU 1219 HG -0.10 0.09 -0.07 -0.04 1.64 1.52 1s16A1 LEU 1219 HD13 -0.04 0.00 -0.22 -0.04 0.93 0.63 1s16A1 LEU 1219 HD23 0.00 -0.01 -0.12 -0.04 0.89 0.72 1s16A1 ASN 1220 H -0.07 0.13 -0.10 -0.55 8.53 7.94 1s16A1 ASN 1220 HA -0.05 0.09 0.35 -0.75 4.76 4.39 1s16A1 ASN 1220 HB2 -0.07 0.06 0.08 -0.04 2.88 2.91 1s16A1 ASN 1220 HB3 -0.04 -0.10 0.07 -0.04 2.79 2.68 1s16A1 ASN 1220 HD21 -0.00 0.05 -0.10 -0.04 7.03 6.94 1s16A1 ASN 1220 HD22 -0.01 -0.07 -0.14 -0.04 7.74 7.48 1s16A1 ASP 1221 H -0.04 0.06 -0.15 -0.55 8.40 7.73 1s16A1 ASP 1221 HA -0.02 0.05 0.41 -0.75 4.63 4.32 1s16A1 ASP 1221 HB2 -0.06 0.05 0.07 -0.04 2.71 2.74 1s16A1 ASP 1221 HB3 -0.02 0.04 0.01 -0.04 2.70 2.69 1s16A1 TYR 1222 H 0.02 0.43 -0.26 -0.55 8.29 7.93 1s16A1 TYR 1222 HA -0.16 0.00 0.32 -0.75 4.56 3.97 1s16A1 TYR 1222 HB2 -0.24 0.00 -0.05 -0.04 3.06 2.73 1s16A1 TYR 1222 HB3 -0.14 0.16 0.07 -0.04 2.98 3.02 1s16A1 TYR 1222 HD2 -0.16 -0.01 -0.10 -0.04 7.15 6.84 1s16A1 TYR 1222 HE2 -0.11 -0.02 -0.11 -0.04 6.85 6.56 1s16A1 LEU 1223 H -0.01 0.47 -0.13 -0.55 8.37 8.15 1s16A1 LEU 1223 HA -0.25 0.06 0.42 -0.75 4.35 3.82 1s16A1 LEU 1223 HB2 -0.06 -0.03 -0.04 -0.04 1.64 1.46 1s16A1 LEU 1223 HB3 -0.06 0.04 0.07 -0.04 1.64 1.65 1s16A1 LEU 1223 HG -0.10 0.03 -0.43 -0.04 1.64 1.11 1s16A1 LEU 1223 HD13 -0.17 -0.01 -0.17 -0.04 0.93 0.54 1s16A1 LEU 1223 HD23 -0.08 0.03 -0.34 -0.04 0.89 0.45 1s16A1 ALA 1224 H -0.05 0.60 0.03 -0.55 8.40 8.42 1s16A1 ALA 1224 HA -0.04 0.05 0.29 -0.75 4.34 3.89 1s16A1 ALA 1224 HB3 -0.02 -0.02 0.09 -0.04 1.41 1.42 1s16A1 GLU 1225 H -0.05 0.67 -0.11 -0.55 8.60 8.57 1s16A1 GLU 1225 HA -0.03 -0.02 0.40 -0.75 4.29 3.89 1s16A1 GLU 1225 HB2 -0.05 0.17 0.10 -0.04 2.09 2.27 1s16A1 GLU 1225 HB3 -0.02 -0.03 -0.03 -0.04 1.99 1.86 1s16A1 GLU 1225 HG2 0.01 -0.03 0.03 -0.04 2.34 2.31 1s16A1 GLU 1225 HG3 -0.01 -0.06 0.04 -0.04 2.34 2.27 1s16A1 ALA 1226 H -0.16 0.34 -0.41 -0.55 8.40 7.63 1s16A1 ALA 1226 HA -0.11 -0.02 0.40 -0.75 4.34 3.85 1s16A1 ALA 1226 HB3 -0.25 0.01 0.09 -0.04 1.41 1.22 1s16A1 VAL 1227 H -0.09 0.41 -0.23 -0.55 8.24 7.78 1s16A1 VAL 1227 HA -0.06 0.20 0.84 -0.75 4.13 4.35 1s16A1 VAL 1227 HB -0.05 -0.01 0.03 -0.04 2.12 2.05 1s16A1 VAL 1227 HG13 -0.11 0.01 -0.14 -0.04 0.97 0.69 1s16A1 VAL 1227 HG23 -0.05 0.03 -0.14 -0.04 0.95 0.75 1s16A1 ASN 1228 H -0.04 0.24 -0.26 -0.55 8.53 7.92 1s16A1 ASN 1228 HA -0.01 -0.06 0.39 -0.75 4.76 4.33 1s16A1 ASN 1228 HB2 -0.02 -0.00 0.10 -0.04 2.88 2.92 1s16A1 ASN 1228 HB3 -0.02 0.10 0.12 -0.04 2.79 2.95 1s16A1 ASN 1228 HD21 0.00 -0.06 -0.07 -0.04 7.03 6.86 1s16A1 ASN 1228 HD22 -0.00 0.03 -0.07 -0.04 7.74 7.66 1s16A1 GLY 1229 H -0.00 0.09 0.20 -0.55 8.43 8.17 1s16A1 GLY 1229 HA2 0.00 -0.08 0.33 -0.51 4.01 3.75 1s16A1 GLY 1229 HA3 -0.00 0.13 0.69 -0.51 4.01 4.31 1s16A1 LEU 1230 H -0.00 0.34 0.03 -0.55 8.37 8.19 1s16A1 LEU 1230 HA 0.00 0.14 0.89 -0.75 4.35 4.63 1s16A1 LEU 1230 HB2 -0.01 0.16 0.05 -0.04 1.64 1.79 1s16A1 LEU 1230 HB3 -0.01 0.07 0.02 -0.04 1.64 1.68 1s16A1 LEU 1230 HG -0.02 0.05 -0.35 -0.04 1.64 1.28 1s16A1 LEU 1230 HD13 -0.04 -0.04 0.02 -0.04 0.93 0.83 1s16A1 LEU 1230 HD23 -0.01 0.00 -0.03 -0.04 0.89 0.81 1s16A1 PRO 1231 HA 0.03 -0.01 0.51 -0.51 4.44 4.45 1s16A1 PRO 1231 HB2 0.03 -0.04 0.05 -0.04 2.28 2.28 1s16A1 PRO 1231 HB3 0.03 -0.01 0.08 -0.04 2.02 2.08 1s16A1 PRO 1231 HG2 0.02 0.02 0.05 -0.04 2.03 2.08 1s16A1 PRO 1231 HG3 0.02 0.01 0.03 -0.04 2.03 2.04 1s16A1 PRO 1231 HD2 0.01 0.15 0.14 -0.04 3.68 3.95 1s16A1 PRO 1231 HD3 0.01 0.16 0.19 -0.04 3.65 3.97 1s16A1 THR 1232 H 0.05 0.10 0.24 -0.55 8.28 8.12 1s16A1 THR 1232 HA 0.07 0.34 1.03 -0.75 4.39 5.09 1s16A1 THR 1232 HB 0.07 -0.07 0.02 -0.04 4.32 4.30 1s16A1 THR 1232 HG23 0.01 0.06 -0.27 -0.04 1.22 0.98 1s16A1 LEU 1233 H 0.19 0.45 0.24 -0.55 8.37 8.70 1s16A1 LEU 1233 HA 0.16 -0.07 0.62 -0.75 4.35 4.31 1s16A1 LEU 1233 HB2 0.11 0.03 -0.27 -0.04 1.64 1.47 1s16A1 LEU 1233 HB3 0.18 -0.03 0.11 -0.04 1.64 1.85 1s16A1 LEU 1233 HG 0.09 -0.01 -0.04 -0.04 1.64 1.65 1s16A1 LEU 1233 HD13 0.08 -0.02 0.05 -0.04 0.93 1.00 1s16A1 LEU 1233 HD23 0.01 -0.02 -0.16 -0.04 0.89 0.67 1s16A1 PRO 1234 HA 0.21 0.06 0.36 -0.51 4.44 4.56 1s16A1 PRO 1234 HB2 0.35 -0.07 0.14 -0.04 2.28 2.65 1s16A1 PRO 1234 HB3 0.51 -0.01 0.14 -0.04 2.02 2.61 1s16A1 PRO 1234 HG2 0.22 0.42 0.00 -0.04 2.03 2.63 1s16A1 PRO 1234 HG3 0.20 -0.00 0.08 -0.04 2.03 2.27 1s16A1 PRO 1234 HD2 0.35 0.08 0.54 -0.04 3.68 4.62 1s16A1 PRO 1234 HD3 0.37 0.06 0.15 -0.04 3.65 4.19 1s16A1 GLU 1235 H 0.16 0.06 0.12 -0.55 8.60 8.39 1s16A1 GLU 1235 HA 0.09 0.13 0.31 -0.75 4.29 4.07 1s16A1 GLU 1235 HB2 0.09 -0.03 0.15 -0.04 2.09 2.26 1s16A1 GLU 1235 HB3 0.10 -0.04 0.09 -0.04 1.99 2.10 1s16A1 GLU 1235 HG2 0.06 0.02 -0.11 -0.04 2.34 2.27 1s16A1 GLU 1235 HG3 0.06 0.03 0.07 -0.04 2.34 2.46 1s16A1 LYS 1236 H 0.15 0.07 -0.13 -0.55 8.42 7.96 1s16A1 LYS 1236 HA 0.06 0.22 0.80 -0.75 4.32 4.64 1s16A1 LYS 1236 HB2 0.06 0.01 0.05 -0.04 1.87 1.95 1s16A1 LYS 1236 HB3 0.07 -0.04 -0.07 -0.04 1.79 1.72 1s16A1 LYS 1236 HG2 0.16 -0.12 0.01 -0.04 1.46 1.47 1s16A1 LYS 1236 HG3 0.14 0.17 -0.21 -0.04 1.46 1.52 1s16A1 LYS 1236 HD2 0.07 -0.00 -0.03 -0.04 1.69 1.69 1s16A1 LYS 1236 HD3 0.08 -0.03 -0.02 -0.04 1.68 1.67 1s16A1 LYS 1236 HE2 0.16 -0.04 -0.00 -0.04 2.99 3.07 1s16A1 LYS 1236 HE3 0.16 0.05 -0.01 -0.04 2.99 3.15 1s16A1 PRO 1237 HA 0.03 0.20 0.41 -0.51 4.44 4.56 1s16A1 PRO 1237 HB2 -0.04 -0.06 -0.08 -0.04 2.28 2.06 1s16A1 PRO 1237 HB3 -0.04 0.04 -0.09 -0.04 2.02 1.89 1s16A1 PRO 1237 HG2 -0.01 -0.05 0.03 -0.04 2.03 1.95 1s16A1 PRO 1237 HG3 -0.03 0.05 0.06 -0.04 2.03 2.07 1s16A1 PRO 1237 HD2 0.02 0.03 0.16 -0.04 3.68 3.86 1s16A1 PRO 1237 HD3 0.01 0.19 0.08 -0.04 3.65 3.88 1s16A1 PHE 1238 H 0.07 0.85 0.47 -0.55 8.34 9.17 1s16A1 PHE 1238 HA -0.29 0.05 0.69 -0.75 4.62 4.32 1s16A1 PHE 1238 HB2 -0.65 0.00 0.15 -0.04 3.15 2.61 1s16A1 PHE 1238 HB3 -0.21 0.05 0.21 -0.04 3.06 3.07 1s16A1 PHE 1238 HD2 -0.57 -0.01 -0.01 -0.04 7.28 6.64 1s16A1 PHE 1238 HE2 0.04 -0.00 -0.10 -0.04 7.38 7.27 1s16A1 PHE 1238 HZ 0.50 -0.10 -0.41 -0.04 7.32 7.27 1s16A1 ILE 1239 H -0.31 0.20 0.23 -0.55 8.25 7.83 1s16A1 ILE 1239 HA -0.74 0.26 1.03 -0.75 4.18 3.98 1s16A1 ILE 1239 HB -0.44 0.02 0.18 -0.04 1.89 1.62 1s16A1 ILE 1239 HG12 -0.14 0.04 0.11 -0.04 1.49 1.46 1s16A1 ILE 1239 HG13 -0.28 0.00 -0.15 -0.04 1.21 0.75 1s16A1 ILE 1239 HG23 -0.17 -0.00 -0.12 -0.04 0.93 0.60 1s16A1 ILE 1239 HD13 -0.12 -0.02 -0.01 -0.04 0.88 0.69 1s16A1 GLY 1240 H -1.67 0.48 0.36 -0.55 8.43 7.05 1s16A1 GLY 1240 HA2 -0.74 0.11 0.54 -0.51 4.01 3.41 1s16A1 GLY 1240 HA3 -1.92 0.04 0.31 -0.51 4.01 1.93 1s16A1 ASN 1241 H -0.40 0.32 0.25 -0.55 8.53 8.15 1s16A1 ASN 1241 HA -0.19 0.18 0.55 -0.75 4.76 4.55 1s16A1 ASN 1241 HB2 -0.11 0.09 0.28 -0.04 2.88 3.09 1s16A1 ASN 1241 HB3 -0.30 0.05 -0.03 -0.04 2.79 2.47 1s16A1 ASN 1241 HD21 -0.07 -0.01 -0.12 -0.04 7.03 6.79 1s16A1 ASN 1241 HD22 -0.08 0.01 -0.18 -0.04 7.74 7.45 1s16A1 PHE 1242 H 0.13 0.64 0.42 -0.55 8.34 8.97 1s16A1 PHE 1242 HA 0.04 0.12 0.63 -0.75 4.62 4.66 1s16A1 PHE 1242 HB2 0.09 0.11 -0.01 -0.04 3.15 3.30 1s16A1 PHE 1242 HB3 0.12 -0.08 0.02 -0.04 3.06 3.07 1s16A1 PHE 1242 HD2 0.25 -0.02 -0.11 -0.04 7.28 7.37 1s16A1 PHE 1242 HE2 0.14 -0.03 -0.09 -0.04 7.38 7.36 1s16A1 PHE 1242 HZ 0.10 -0.03 -0.05 -0.04 7.32 7.29 1s16A1 ALA 1243 H -0.79 0.27 0.19 -0.55 8.40 7.53 1s16A1 ALA 1243 HA -0.14 0.12 1.12 -0.75 4.34 4.69 1s16A1 ALA 1243 HB3 -0.12 0.03 0.04 -0.04 1.41 1.32 1s16A1 GLY 1244 H -0.04 0.90 0.44 -0.55 8.43 9.18 1s16A1 GLY 1244 HA2 -0.11 0.19 0.88 -0.51 4.01 4.47 1s16A1 GLY 1244 HA3 0.05 -0.07 0.37 -0.51 4.01 3.85 1s16A1 ASP 1245 H 0.04 0.12 0.18 -0.55 8.40 8.19 1s16A1 ASP 1245 HA 0.04 0.17 0.45 -0.75 4.63 4.54 1s16A1 ASP 1245 HB2 0.01 0.03 0.13 -0.04 2.71 2.84 1s16A1 ASP 1245 HB3 0.02 -0.07 0.15 -0.04 2.70 2.77 1s16A1 THR 1246 H 0.07 0.00 -0.05 -0.55 8.28 7.75 1s16A1 THR 1246 HA 0.12 0.31 0.88 -0.75 4.39 4.94 1s16A1 THR 1246 HB 0.04 -0.04 0.17 -0.04 4.32 4.44 1s16A1 THR 1246 HG23 0.01 0.01 -0.05 -0.04 1.22 1.15 1s16A1 GLU 1247 H 0.13 0.22 -0.27 -0.55 8.60 8.13 1s16A1 GLU 1247 HA -0.07 0.30 0.65 -0.75 4.29 4.41 1s16A1 GLU 1247 HB2 -0.72 0.04 0.06 -0.04 2.09 1.43 1s16A1 GLU 1247 HB3 -0.29 0.04 -0.22 -0.04 1.99 1.48 1s16A1 GLU 1247 HG2 -0.05 -0.20 -0.09 -0.04 2.34 1.95 1s16A1 GLU 1247 HG3 -0.07 0.03 -0.24 -0.04 2.34 2.02 1s16A1 ALA 1248 H 0.02 0.57 0.41 -0.55 8.40 8.86 1s16A1 ALA 1248 HA 0.27 0.18 0.72 -0.75 4.34 4.76 1s16A1 ALA 1248 HB3 -0.08 0.03 0.09 -0.04 1.41 1.40 1s16A1 VAL 1249 H 0.23 0.73 0.47 -0.55 8.24 9.12 1s16A1 VAL 1249 HA 0.16 0.18 0.95 -0.75 4.13 4.68 1s16A1 VAL 1249 HB 0.03 -0.03 -0.08 -0.04 2.12 1.99 1s16A1 VAL 1249 HG13 0.14 -0.01 -0.05 -0.04 0.97 1.00 1s16A1 VAL 1249 HG23 0.17 0.00 -0.09 -0.04 0.95 0.99 1s16A1 ASP 1250 H 0.15 0.51 0.37 -0.55 8.40 8.88 1s16A1 ASP 1250 HA -0.12 0.25 1.03 -0.75 4.63 5.02 1s16A1 ASP 1250 HB2 -0.02 -0.01 -0.08 -0.04 2.71 2.55 1s16A1 ASP 1250 HB3 -0.02 -0.05 0.08 -0.04 2.70 2.67 1s16A1 TRP 1251 H -0.48 0.54 0.42 -0.55 7.97 7.90 1s16A1 TRP 1251 HA -0.04 0.26 0.83 -0.75 4.62 4.92 1s16A1 TRP 1251 HB2 -0.08 0.07 0.12 -0.04 3.23 3.29 1s16A1 TRP 1251 HB3 -0.08 -0.07 -0.26 -0.04 3.23 2.79 1s16A1 TRP 1251 HD1 -0.29 0.07 -0.40 -0.04 7.22 6.55 1s16A1 TRP 1251 HE1 -1.39 0.06 -0.43 -0.04 10.20 8.40 1s16A1 TRP 1251 HE3 -0.10 -0.07 -0.38 -0.04 7.59 6.99 1s16A1 TRP 1251 HZ2 -0.26 0.07 -0.21 -0.04 7.44 7.00 1s16A1 TRP 1251 HZ3 -0.08 -0.03 -0.34 -0.04 7.13 6.65 1s16A1 TRP 1251 HH2 -0.01 0.09 -0.20 -0.04 7.19 7.04 1s16A1 ALA 1252 H 0.20 0.53 0.35 -0.55 8.40 8.93 1s16A1 ALA 1252 HA -0.10 0.22 0.73 -0.75 4.34 4.44 1s16A1 ALA 1252 HB3 -0.04 -0.03 -0.08 -0.04 1.41 1.23 1s16A1 LEU 1253 H 0.00 0.58 0.32 -0.55 8.37 8.72 1s16A1 LEU 1253 HA -0.13 0.22 0.75 -0.75 4.35 4.44 1s16A1 LEU 1253 HB2 -0.40 0.15 0.18 -0.04 1.64 1.53 1s16A1 LEU 1253 HB3 -0.04 -0.07 -0.12 -0.04 1.64 1.37 1s16A1 LEU 1253 HG 0.09 0.07 -0.03 -0.04 1.64 1.73 1s16A1 LEU 1253 HD13 -0.70 0.01 -0.25 -0.04 0.93 -0.06 1s16A1 LEU 1253 HD23 -0.35 -0.03 -0.15 -0.04 0.89 0.32 1s16A1 LEU 1254 H -0.48 0.72 0.44 -0.55 8.37 8.51 1s16A1 LEU 1254 HA -0.19 0.06 0.52 -0.75 4.35 3.99 1s16A1 LEU 1254 HB2 0.08 0.05 -0.05 -0.04 1.64 1.68 1s16A1 LEU 1254 HB3 0.03 0.01 0.02 -0.04 1.64 1.67 1s16A1 LEU 1254 HG -0.09 -0.16 -0.42 -0.04 1.64 0.93 1s16A1 LEU 1254 HD13 -0.09 0.02 -0.25 -0.04 0.93 0.56 1s16A1 LEU 1254 HD23 0.01 0.00 -0.30 -0.04 0.89 0.57 1s16A1 TRP 1255 H 0.44 0.64 0.35 -0.55 7.97 8.84 1s16A1 TRP 1255 HA -0.05 0.30 1.21 -0.75 4.62 5.32 1s16A1 TRP 1255 HB2 0.01 0.05 0.16 -0.04 3.23 3.41 1s16A1 TRP 1255 HB3 -0.01 -0.03 -0.00 -0.04 3.23 3.15 1s16A1 TRP 1255 HD1 -0.03 -0.13 -0.41 -0.04 7.22 6.61 1s16A1 TRP 1255 HE1 0.01 0.71 0.09 -0.04 10.20 10.97 1s16A1 TRP 1255 HE3 -0.00 0.43 0.27 -0.04 7.59 8.24 1s16A1 TRP 1255 HZ2 -0.19 -0.03 -0.05 -0.04 7.44 7.13 1s16A1 TRP 1255 HZ3 -0.14 -0.02 0.02 -0.04 7.13 6.95 1s16A1 TRP 1255 HH2 -0.75 -0.05 -0.06 -0.04 7.19 6.30 1s16A1 LEU 1256 H 0.11 0.59 0.17 -0.55 8.37 8.70 1s16A1 LEU 1256 HA 0.07 0.28 0.88 -0.75 4.35 4.83 1s16A1 LEU 1256 HB2 -0.01 -0.04 0.06 -0.04 1.64 1.61 1s16A1 LEU 1256 HB3 0.01 0.21 0.06 -0.04 1.64 1.87 1s16A1 LEU 1256 HG -0.05 -0.03 -0.23 -0.04 1.64 1.29 1s16A1 LEU 1256 HD13 -0.01 0.10 -0.07 -0.04 0.93 0.91 1s16A1 LEU 1256 HD23 -0.05 0.02 -0.43 -0.04 0.89 0.38 1s16A1 PRO 1257 HA 0.06 0.08 0.46 -0.51 4.44 4.54 1s16A1 PRO 1257 HB2 0.04 0.03 -0.04 -0.04 2.28 2.27 1s16A1 PRO 1257 HB3 0.05 0.01 0.04 -0.04 2.02 2.09 1s16A1 PRO 1257 HG2 0.05 0.00 -0.04 -0.04 2.03 2.00 1s16A1 PRO 1257 HG3 0.06 0.02 -0.07 -0.04 2.03 2.00 1s16A1 PRO 1257 HD2 0.11 0.27 -0.11 -0.04 3.68 3.90 1s16A1 PRO 1257 HD3 0.19 0.04 -0.28 -0.04 3.65 3.55 1s16A1 GLU 1258 H 0.04 0.18 -0.23 -0.55 8.60 8.05 1s16A1 GLU 1258 HA 0.02 0.09 0.53 -0.75 4.29 4.18 1s16A1 GLU 1258 HB2 0.02 0.10 0.02 -0.04 2.09 2.19 1s16A1 GLU 1258 HB3 0.02 -0.03 0.14 -0.04 1.99 2.08 1s16A1 GLU 1258 HG2 0.02 -0.00 -0.03 -0.04 2.34 2.29 1s16A1 GLU 1258 HG3 0.03 -0.04 -0.06 -0.04 2.34 2.23 1s16A1 GLY 1259 H 0.02 0.30 -0.62 -0.55 8.43 7.59 1s16A1 GLY 1259 HA2 0.00 0.02 0.27 -0.51 4.01 3.80 1s16A1 GLY 1259 HA3 0.00 0.11 0.80 -0.51 4.01 4.41 1s16A1 GLY 1260 H -0.01 0.04 0.10 -0.55 8.43 8.01 1s16A1 GLY 1260 HA2 -0.02 -0.04 0.32 -0.51 4.01 3.76 1s16A1 GLY 1260 HA3 -0.02 0.30 0.84 -0.51 4.01 4.62 1s16A1 GLU 1261 H -0.04 0.15 0.10 -0.55 8.60 8.26 1s16A1 GLU 1261 HA -0.06 0.01 0.54 -0.75 4.29 4.03 1s16A1 GLU 1261 HB2 -0.04 -0.06 0.10 -0.04 2.09 2.05 1s16A1 GLU 1261 HB3 -0.06 0.07 0.13 -0.04 1.99 2.09 1s16A1 GLU 1261 HG2 -0.06 -0.04 -0.03 -0.04 2.34 2.17 1s16A1 GLU 1261 HG3 -0.08 0.13 -0.27 -0.04 2.34 2.08 1s16A1 LEU 1262 H -0.09 0.09 0.17 -0.55 8.37 7.99 1s16A1 LEU 1262 HA -0.14 0.14 0.52 -0.75 4.35 4.12 1s16A1 LEU 1262 HB2 -0.15 -0.07 0.03 -0.04 1.64 1.40 1s16A1 LEU 1262 HB3 -0.23 0.05 -0.18 -0.04 1.64 1.24 1s16A1 LEU 1262 HG -0.09 0.05 -0.04 -0.04 1.64 1.52 1s16A1 LEU 1262 HD13 -0.17 0.04 -0.07 -0.04 0.93 0.69 1s16A1 LEU 1262 HD23 -0.13 0.00 -0.33 -0.04 0.89 0.39 1s16A1 LEU 1263 H -0.22 0.20 0.12 -0.55 8.37 7.92 1s16A1 LEU 1263 HA -0.19 0.11 0.74 -0.75 4.35 4.25 1s16A1 LEU 1263 HB2 -0.19 0.11 -0.05 -0.04 1.64 1.47 1s16A1 LEU 1263 HB3 -0.24 -0.05 0.09 -0.04 1.64 1.41 1s16A1 LEU 1263 HG -0.31 0.04 -0.06 -0.04 1.64 1.27 1s16A1 LEU 1263 HD13 -0.22 -0.02 -0.25 -0.04 0.93 0.40 1s16A1 LEU 1263 HD23 -0.14 -0.01 -0.03 -0.04 0.89 0.67 1s16A1 THR 1264 H -0.27 0.21 0.01 -0.55 8.28 7.69 1s16A1 THR 1264 HA -1.13 0.20 0.99 -0.75 4.39 3.69 1s16A1 THR 1264 HB -0.52 -0.04 0.04 -0.04 4.32 3.75 1s16A1 THR 1264 HG23 -0.48 0.01 -0.16 -0.04 1.22 0.54 1s16A1 GLU 1265 H -0.45 0.71 0.27 -0.55 8.60 8.58 1s16A1 GLU 1265 HA -0.13 0.17 0.97 -0.75 4.29 4.55 1s16A1 GLU 1265 HB2 0.13 0.00 0.09 -0.04 2.09 2.27 1s16A1 GLU 1265 HB3 0.10 0.00 -0.06 -0.04 1.99 1.99 1s16A1 GLU 1265 HG2 0.03 0.03 -0.05 -0.04 2.34 2.32 1s16A1 GLU 1265 HG3 -0.05 -0.07 -0.36 -0.04 2.34 1.83 1s16A1 SER 1266 H -0.16 0.28 0.20 -0.55 8.46 8.23 1s16A1 SER 1266 HA 0.19 0.23 1.03 -0.75 4.49 5.18 1s16A1 SER 1266 HB2 -0.11 -0.06 0.05 -0.04 3.95 3.79 1s16A1 SER 1266 HB3 0.10 0.01 -0.07 -0.04 3.93 3.93 1s16A1 TYR 1267 H 0.35 0.59 0.40 -0.55 8.29 9.08 1s16A1 TYR 1267 HA 0.16 0.28 0.94 -0.75 4.56 5.18 1s16A1 TYR 1267 HB2 0.07 -0.04 0.04 -0.04 3.06 3.08 1s16A1 TYR 1267 HB3 0.05 -0.10 -0.19 -0.04 2.98 2.70 1s16A1 TYR 1267 HD2 0.04 0.07 -0.52 -0.04 7.15 6.70 1s16A1 TYR 1267 HE2 0.01 0.01 -0.19 -0.04 6.85 6.65 1s16A1 VAL 1268 H 0.24 0.64 0.19 -0.55 8.24 8.75 1s16A1 VAL 1268 HA 0.10 0.23 0.90 -0.75 4.13 4.61 1s16A1 VAL 1268 HB 0.36 0.06 0.09 -0.04 2.12 2.59 1s16A1 VAL 1268 HG13 -0.08 -0.00 -0.12 -0.04 0.97 0.73 1s16A1 VAL 1268 HG23 -0.25 -0.03 -0.19 -0.04 0.95 0.43 1s16A1 ASN 1269 H 0.04 0.72 0.29 -0.55 8.53 9.04 1s16A1 ASN 1269 HA 0.03 0.08 0.24 -0.75 4.76 4.36 1s16A1 ASN 1269 HB2 0.13 0.14 -0.25 -0.04 2.88 2.85 1s16A1 ASN 1269 HB3 0.09 -0.10 -0.38 -0.04 2.79 2.36 1s16A1 ASN 1269 HD21 0.13 0.40 0.14 -0.04 7.03 7.66 1s16A1 ASN 1269 HD22 0.12 0.40 -0.00 -0.04 7.74 8.21 1s16A1 LEU 1270 H 0.08 0.06 -0.40 -0.55 8.37 7.57 1s16A1 LEU 1270 HA 0.03 -0.01 0.09 -0.75 4.35 3.71 1s16A1 LEU 1270 HB2 -0.00 0.15 -0.34 -0.04 1.64 1.42 1s16A1 LEU 1270 HB3 -0.02 -0.03 0.09 -0.04 1.64 1.63 1s16A1 LEU 1270 HG -0.16 -0.02 -0.09 -0.04 1.64 1.32 1s16A1 LEU 1270 HD13 -0.05 0.03 -0.19 -0.04 0.93 0.67 1s16A1 LEU 1270 HD23 -0.06 0.02 -0.18 -0.04 0.89 0.62 1s16A1 ILE 1271 H 0.14 0.50 -0.53 -0.55 8.25 7.82 1s16A1 ILE 1271 HA 0.03 0.13 0.63 -0.75 4.18 4.21 1s16A1 ILE 1271 HB 0.05 -0.01 0.16 -0.04 1.89 2.05 1s16A1 ILE 1271 HG12 0.01 0.08 0.02 -0.04 1.49 1.56 1s16A1 ILE 1271 HG13 -0.17 0.08 0.09 -0.04 1.21 1.16 1s16A1 ILE 1271 HG23 -0.28 -0.01 -0.17 -0.04 0.93 0.43 1s16A1 ILE 1271 HD13 -0.10 -0.03 -0.06 -0.04 0.88 0.65 1s16A1 PRO 1272 HA -0.41 0.16 0.66 -0.51 4.44 4.35 1s16A1 PRO 1272 HB2 -0.10 -0.02 0.04 -0.04 2.28 2.15 1s16A1 PRO 1272 HB3 0.00 0.04 0.05 -0.04 2.02 2.08 1s16A1 PRO 1272 HG2 0.00 0.00 0.20 -0.04 2.03 2.19 1s16A1 PRO 1272 HG3 0.04 -0.00 0.10 -0.04 2.03 2.12 1s16A1 PRO 1272 HD2 -0.00 0.05 0.24 -0.04 3.68 3.93 1s16A1 PRO 1272 HD3 0.12 0.26 0.19 -0.04 3.65 4.18 1s16A1 THR 1273 H -0.09 0.49 0.26 -0.55 8.28 8.39 1s16A1 THR 1273 HA 0.05 0.26 0.82 -0.75 4.39 4.76 1s16A1 THR 1273 HB 0.22 0.13 0.03 -0.04 4.32 4.66 1s16A1 THR 1273 HG23 0.23 0.02 -0.20 -0.04 1.22 1.23 1s16A1 MET 1274 H 0.00 0.31 0.08 -0.55 8.47 8.31 1s16A1 MET 1274 HA -0.03 0.07 0.40 -0.75 4.52 4.21 1s16A1 MET 1274 HB2 0.00 -0.04 0.07 -0.04 2.15 2.14 1s16A1 MET 1274 HB3 -0.01 0.02 0.09 -0.04 2.03 2.08 1s16A1 MET 1274 HG2 -0.00 0.14 0.04 -0.04 2.63 2.76 1s16A1 MET 1274 HG3 0.00 -0.04 0.03 -0.04 2.56 2.52 1s16A1 MET 1274 HE3 -0.06 -0.01 0.02 -0.04 2.10 2.01 1s16A1 GLN 1275 H 0.05 0.59 -0.17 -0.55 8.47 8.40 1s16A1 GLN 1275 HA 0.04 0.21 0.88 -0.75 4.36 4.74 1s16A1 GLN 1275 HB2 0.05 -0.04 -0.24 -0.04 2.15 1.89 1s16A1 GLN 1275 HB3 0.05 -0.06 0.03 -0.04 2.02 2.00 1s16A1 GLN 1275 HG2 0.02 0.07 -0.02 -0.04 2.40 2.43 1s16A1 GLN 1275 HG3 0.02 -0.05 -0.17 -0.04 2.39 2.15 1s16A1 GLN 1275 HE21 0.01 -0.00 -0.04 -0.04 6.97 6.90 1s16A1 GLN 1275 HE22 0.02 0.04 -0.03 -0.04 7.69 7.68 1s16A1 GLY 1276 H 0.08 0.54 -0.23 -0.55 8.43 8.27 1s16A1 GLY 1276 HA2 0.09 0.03 0.33 -0.51 4.01 3.94 1s16A1 GLY 1276 HA3 0.07 0.00 0.39 -0.51 4.01 3.97 1s16A1 GLY 1277 H 0.06 0.21 0.26 -0.55 8.43 8.41 1s16A1 GLY 1277 HA2 0.08 0.16 0.34 -0.51 4.01 4.08 1s16A1 GLY 1277 HA3 0.19 0.09 1.02 -0.51 4.01 4.80 1s16A1 THR 1278 H 0.08 0.57 0.17 -0.55 8.28 8.55 1s16A1 THR 1278 HA 0.01 0.09 0.35 -0.75 4.39 4.08 1s16A1 THR 1278 HB 0.02 -0.09 -0.04 -0.04 4.32 4.17 1s16A1 THR 1278 HG23 0.00 0.05 -0.19 -0.04 1.22 1.04 1s16A1 HIS 1279 H 0.41 0.12 -0.27 -0.55 8.41 8.12 1s16A1 HIS 1279 HA -0.02 0.15 0.30 -0.75 4.63 4.31 1s16A1 HIS 1279 HB2 0.03 0.07 -0.06 -0.04 3.26 3.27 1s16A1 HIS 1279 HB3 0.04 0.01 -0.00 -0.04 3.20 3.20 1s16A1 HIS 1279 HD2 0.09 0.11 -0.10 -0.04 6.97 7.03 1s16A1 HIS 1279 HE1 0.08 0.24 -0.28 -0.04 7.75 7.74 1s16A1 VAL 1280 H -0.23 0.11 -0.30 -0.55 8.24 7.27 1s16A1 VAL 1280 HA -0.29 0.10 0.39 -0.75 4.13 3.57 1s16A1 VAL 1280 HB -0.11 -0.03 0.13 -0.04 2.12 2.06 1s16A1 VAL 1280 HG13 0.02 0.04 -0.14 -0.04 0.97 0.84 1s16A1 VAL 1280 HG23 -0.34 0.02 -0.03 -0.04 0.95 0.55 1s16A1 ASN 1281 H -0.11 0.50 -0.12 -0.55 8.53 8.26 1s16A1 ASN 1281 HA -0.32 0.05 0.38 -0.75 4.76 4.11 1s16A1 ASN 1281 HB2 -0.08 0.06 0.10 -0.04 2.88 2.91 1s16A1 ASN 1281 HB3 -0.14 -0.02 0.00 -0.04 2.79 2.60 1s16A1 ASN 1281 HD21 -0.03 0.01 -0.13 -0.04 7.03 6.84 1s16A1 ASN 1281 HD22 -0.04 -0.03 -0.09 -0.04 7.74 7.53 1s16A1 GLY 1282 H -0.12 0.41 -0.36 -0.55 8.43 7.82 1s16A1 GLY 1282 HA2 -0.14 0.00 0.42 -0.51 4.01 3.78 1s16A1 GLY 1282 HA3 -0.12 0.10 0.38 -0.51 4.01 3.86 1s16A1 LEU 1283 H -0.26 0.45 -0.16 -0.55 8.37 7.86 1s16A1 LEU 1283 HA -0.35 0.01 0.26 -0.75 4.35 3.52 1s16A1 LEU 1283 HB2 -0.30 -0.02 0.04 -0.04 1.64 1.32 1s16A1 LEU 1283 HB3 -0.34 0.11 0.12 -0.04 1.64 1.49 1s16A1 LEU 1283 HG -0.18 0.03 -0.32 -0.04 1.64 1.13 1s16A1 LEU 1283 HD13 -0.60 -0.01 -0.08 -0.04 0.93 0.20 1s16A1 LEU 1283 HD23 -0.42 0.00 -0.12 -0.04 0.89 0.30 1s16A1 ARG 1284 H -0.61 0.56 -0.20 -0.55 8.46 7.66 1s16A1 ARG 1284 HA -0.59 0.06 0.32 -0.75 4.34 3.38 1s16A1 ARG 1284 HB2 -1.75 0.07 0.06 -0.04 1.90 0.25 1s16A1 ARG 1284 HB3 -0.69 0.07 0.13 -0.04 1.80 1.27 1s16A1 ARG 1284 HG2 -0.51 -0.07 -0.19 -0.04 1.67 0.86 1s16A1 ARG 1284 HG3 -1.31 0.04 -0.05 -0.04 1.67 0.30 1s16A1 ARG 1284 HD2 -1.10 0.02 -0.06 -0.04 3.22 2.04 1s16A1 ARG 1284 HD3 -0.50 -0.03 -0.06 -0.04 3.22 2.58 1s16A1 GLN 1285 H -0.30 0.66 -0.08 -0.55 8.47 8.21 1s16A1 GLN 1285 HA -0.14 -0.03 0.37 -0.75 4.36 3.81 1s16A1 GLN 1285 HB2 -0.15 0.04 0.10 -0.04 2.15 2.09 1s16A1 GLN 1285 HB3 -0.14 0.07 0.11 -0.04 2.02 2.02 1s16A1 GLN 1285 HG2 -0.07 -0.02 -0.06 -0.04 2.40 2.21 1s16A1 GLN 1285 HG3 -0.07 -0.02 -0.17 -0.04 2.39 2.09 1s16A1 GLN 1285 HE21 -0.04 0.01 -0.03 -0.04 6.97 6.87 1s16A1 GLN 1285 HE22 -0.04 -0.01 -0.02 -0.04 7.69 7.58 1s16A1 GLY 1286 H -0.18 0.70 -0.17 -0.55 8.43 8.23 1s16A1 GLY 1286 HA2 -0.06 -0.01 0.42 -0.51 4.01 3.86 1s16A1 GLY 1286 HA3 -0.13 0.08 0.34 -0.51 4.01 3.78 1s16A1 LEU 1287 H -0.12 0.59 -0.19 -0.55 8.37 8.10 1s16A1 LEU 1287 HA 0.06 0.01 0.35 -0.75 4.35 4.01 1s16A1 LEU 1287 HB2 -0.02 0.19 0.13 -0.04 1.64 1.90 1s16A1 LEU 1287 HB3 0.14 -0.01 -0.11 -0.04 1.64 1.62 1s16A1 LEU 1287 HG -0.04 0.00 -0.05 -0.04 1.64 1.51 1s16A1 LEU 1287 HD13 -0.46 -0.02 -0.09 -0.04 0.93 0.32 1s16A1 LEU 1287 HD23 0.00 0.03 -0.13 -0.04 0.89 0.75 1s16A1 LEU 1288 H -0.01 0.50 -0.21 -0.55 8.37 8.11 1s16A1 LEU 1288 HA 0.08 0.02 0.37 -0.75 4.35 4.07 1s16A1 LEU 1288 HB2 0.01 -0.01 0.00 -0.04 1.64 1.60 1s16A1 LEU 1288 HB3 -0.03 0.11 0.12 -0.04 1.64 1.81 1s16A1 LEU 1288 HG 0.01 0.02 -0.36 -0.04 1.64 1.27 1s16A1 LEU 1288 HD13 0.04 0.02 -0.33 -0.04 0.93 0.62 1s16A1 LEU 1288 HD23 -0.02 -0.02 -0.12 -0.04 0.89 0.68 1s16A1 ASP 1289 H 0.01 0.72 -0.04 -0.55 8.40 8.55 1s16A1 ASP 1289 HA 0.02 0.00 0.38 -0.75 4.63 4.28 1s16A1 ASP 1289 HB2 0.01 0.10 0.15 -0.04 2.71 2.93 1s16A1 ASP 1289 HB3 0.02 -0.04 -0.02 -0.04 2.70 2.61 1s16A1 ALA 1290 H 0.12 0.54 -0.22 -0.55 8.40 8.29 1s16A1 ALA 1290 HA 0.06 0.02 0.45 -0.75 4.34 4.12 1s16A1 ALA 1290 HB3 0.21 0.03 0.07 -0.04 1.41 1.68 1s16A1 MET 1291 H 0.16 0.54 -0.15 -0.55 8.47 8.47 1s16A1 MET 1291 HA 0.00 0.03 0.44 -0.75 4.52 4.23 1s16A1 MET 1291 HB2 0.16 0.25 0.16 -0.04 2.15 2.68 1s16A1 MET 1291 HB3 0.07 -0.03 -0.09 -0.04 2.03 1.94 1s16A1 MET 1291 HG2 0.14 0.01 -0.02 -0.04 2.63 2.72 1s16A1 MET 1291 HG3 0.02 0.02 -0.06 -0.04 2.56 2.50 1s16A1 MET 1291 HE3 0.02 -0.00 -0.05 -0.04 2.10 2.03 1s16A1 ARG 1292 H 0.07 0.61 -0.20 -0.55 8.46 8.39 1s16A1 ARG 1292 HA 0.05 -0.01 0.38 -0.75 4.34 4.01 1s16A1 ARG 1292 HB2 0.04 0.16 0.14 -0.04 1.90 2.20 1s16A1 ARG 1292 HB3 0.03 -0.04 -0.04 -0.04 1.80 1.71 1s16A1 ARG 1292 HG2 0.03 -0.09 0.02 -0.04 1.67 1.59 1s16A1 ARG 1292 HG3 0.04 0.08 -0.01 -0.04 1.67 1.73 1s16A1 ARG 1292 HD2 0.02 -0.01 -0.13 -0.04 3.22 3.06 1s16A1 ARG 1292 HD3 0.02 -0.02 -0.03 -0.04 3.22 3.14 1s16A1 GLU 1293 H 0.06 0.43 -0.27 -0.55 8.60 8.27 1s16A1 GLU 1293 HA 0.05 0.01 0.39 -0.75 4.29 3.98 1s16A1 GLU 1293 HB2 0.03 0.05 0.12 -0.04 2.09 2.25 1s16A1 GLU 1293 HB3 0.04 0.12 0.15 -0.04 1.99 2.27 1s16A1 GLU 1293 HG2 -0.01 -0.01 -0.17 -0.04 2.34 2.11 1s16A1 GLU 1293 HG3 0.01 -0.03 0.03 -0.04 2.34 2.31 1s16A1 PHE 1294 H 0.16 0.54 -0.13 -0.55 8.34 8.36 1s16A1 PHE 1294 HA -0.01 0.01 0.39 -0.75 4.62 4.26 1s16A1 PHE 1294 HB2 -0.12 0.05 0.12 -0.04 3.15 3.16 1s16A1 PHE 1294 HB3 -0.07 0.09 0.17 -0.04 3.06 3.20 1s16A1 PHE 1294 HD2 -0.07 0.01 -0.12 -0.04 7.28 7.06 1s16A1 PHE 1294 HE2 -0.06 0.01 -0.18 -0.04 7.38 7.11 1s16A1 PHE 1294 HZ -0.06 0.00 -0.05 -0.04 7.32 7.17 1s16A1 CYS 1295 H 0.16 0.68 -0.09 -0.55 8.50 8.70 1s16A1 CYS 1295 HA -0.06 -0.01 0.36 -0.75 4.58 4.12 1s16A1 CYS 1295 HB2 0.05 0.09 0.11 -0.04 2.97 3.18 1s16A1 CYS 1295 HB3 0.02 -0.06 -0.10 -0.04 2.97 2.80 1s16A1 GLU 1296 H 0.03 0.66 -0.14 -0.55 8.60 8.61 1s16A1 GLU 1296 HA -0.01 0.01 0.47 -0.75 4.29 4.00 1s16A1 GLU 1296 HB2 0.04 0.12 0.18 -0.04 2.09 2.38 1s16A1 GLU 1296 HB3 0.02 -0.05 -0.01 -0.04 1.99 1.92 1s16A1 GLU 1296 HG2 0.01 -0.04 0.04 -0.04 2.34 2.31 1s16A1 GLU 1296 HG3 0.02 -0.01 0.06 -0.04 2.34 2.37 1s16A1 TYR 1297 H 0.07 0.59 -0.13 -0.55 8.29 8.27 1s16A1 TYR 1297 HA -0.07 0.05 0.54 -0.75 4.56 4.32 1s16A1 TYR 1297 HB2 -0.06 -0.01 0.12 -0.04 3.06 3.07 1s16A1 TYR 1297 HB3 -0.14 0.08 0.15 -0.04 2.98 3.03 1s16A1 TYR 1297 HD2 -0.10 0.01 -0.07 -0.04 7.15 6.95 1s16A1 TYR 1297 HE2 -0.05 -0.03 -0.01 -0.04 6.85 6.72 1s16A1 ARG 1298 H -0.17 0.53 -0.06 -0.55 8.46 8.21 1s16A1 ARG 1298 HA -0.25 0.06 0.52 -0.75 4.34 3.92 1s16A1 ARG 1298 HB2 -0.35 -0.03 0.03 -0.04 1.90 1.51 1s16A1 ARG 1298 HB3 -0.27 -0.05 0.10 -0.04 1.80 1.53 1s16A1 ARG 1298 HG2 -0.44 -0.01 0.08 -0.04 1.67 1.25 1s16A1 ARG 1298 HG3 -1.58 -0.04 -0.02 -0.04 1.67 -0.01 1s16A1 ARG 1298 HD2 -0.41 -0.05 -0.00 -0.04 3.22 2.72 1s16A1 ARG 1298 HD3 -0.21 0.00 0.02 -0.04 3.22 3.00 1s16A1 ASN 1299 H -0.13 0.14 -0.79 -0.55 8.53 7.21 1s16A1 ASN 1299 HA -0.08 0.05 0.31 -0.75 4.76 4.29 1s16A1 ASN 1299 HB2 -0.13 0.04 -0.15 -0.04 2.88 2.60 1s16A1 ASN 1299 HB3 -0.11 0.12 0.01 -0.04 2.79 2.78 1s16A1 ASN 1299 HD21 -0.05 -0.07 0.05 -0.04 7.03 6.92 1s16A1 ASN 1299 HD22 -0.07 0.01 0.08 -0.04 7.74 7.72 1s16A1 ILE 1300 H -0.09 0.34 -0.14 -0.55 8.25 7.82 1s16A1 ILE 1300 HA -0.04 0.20 0.74 -0.75 4.18 4.32 1s16A1 ILE 1300 HB -0.02 -0.05 0.12 -0.04 1.89 1.90 1s16A1 ILE 1300 HG12 -0.09 0.08 0.02 -0.04 1.49 1.45 1s16A1 ILE 1300 HG13 -0.00 -0.02 -0.21 -0.04 1.21 0.93 1s16A1 ILE 1300 HG23 -0.07 0.02 -0.14 -0.04 0.93 0.70 1s16A1 ILE 1300 HD13 0.04 -0.02 -0.06 -0.04 0.88 0.79 1s16A1 LEU 1301 H -0.03 0.14 -0.33 -0.55 8.37 7.59 1s16A1 LEU 1301 HA -0.00 0.12 0.65 -0.75 4.35 4.36 1s16A1 LEU 1301 HB2 -0.01 -0.07 -0.13 -0.04 1.64 1.39 1s16A1 LEU 1301 HB3 -0.01 -0.00 0.03 -0.04 1.64 1.61 1s16A1 LEU 1301 HG 0.00 0.26 -0.05 -0.04 1.64 1.81 1s16A1 LEU 1301 HD13 0.01 -0.04 -0.08 -0.04 0.93 0.79 1s16A1 LEU 1301 HD23 0.01 -0.05 -0.00 -0.04 0.89 0.80 1s16A1 PRO 1302 HA -0.01 0.02 0.36 -0.51 4.44 4.30 1s16A1 PRO 1302 HB2 -0.00 -0.00 -0.07 -0.04 2.28 2.17 1s16A1 PRO 1302 HB3 -0.01 0.02 0.05 -0.04 2.02 2.04 1s16A1 PRO 1302 HG2 -0.00 0.00 0.03 -0.04 2.03 2.02 1s16A1 PRO 1302 HG3 -0.01 0.07 0.01 -0.04 2.03 2.06 1s16A1 PRO 1302 HD2 -0.00 0.02 0.15 -0.04 3.68 3.80 1s16A1 PRO 1302 HD3 -0.00 0.39 0.33 -0.04 3.65 4.32 1s16A1 ARG 1303 H -0.01 0.09 0.14 -0.55 8.46 8.13 1s16A1 ARG 1303 HA -0.01 0.05 0.45 -0.75 4.34 4.08 1s16A1 GLY 1304 H -0.00 0.14 0.14 -0.55 8.43 8.16 1s16A1 GLY 1304 HA2 -0.00 -0.03 0.30 -0.51 4.01 3.76 1s16A1 GLY 1304 HA3 -0.00 0.13 0.56 -0.51 4.01 4.19 1s16A1 VAL 1305 H -0.00 0.51 -0.33 -0.55 8.24 7.87 1s16A1 VAL 1305 HA 0.00 0.13 0.80 -0.75 4.13 4.32 1s16A1 VAL 1305 HB 0.00 0.15 0.02 -0.04 2.12 2.25 1s16A1 VAL 1305 HG13 0.01 -0.03 -0.23 -0.04 0.97 0.68 1s16A1 VAL 1305 HG23 0.00 0.01 -0.23 -0.04 0.95 0.70 1s16A1 LYS 1306 H 0.01 0.26 0.08 -0.55 8.42 8.21 1s16A1 LYS 1306 HA 0.01 0.15 0.86 -0.75 4.32 4.58 1s16A1 LYS 1306 HB2 0.01 0.00 0.02 -0.04 1.87 1.86 1s16A1 LYS 1306 HB3 0.01 0.05 -0.11 -0.04 1.79 1.70 1s16A1 LYS 1306 HG2 0.00 -0.03 -0.07 -0.04 1.46 1.32 1s16A1 LYS 1306 HG3 0.00 0.01 -0.02 -0.04 1.46 1.42 1s16A1 LYS 1306 HD2 0.00 0.17 -0.65 -0.04 1.69 1.17 1s16A1 LYS 1306 HD3 0.00 0.03 -0.35 -0.04 1.68 1.32 1s16A1 LYS 1306 HE2 0.00 0.02 -0.08 -0.04 2.99 2.89 1s16A1 LYS 1306 HE3 -0.00 -0.05 -0.12 -0.04 2.99 2.78 1s16A1 LEU 1307 H 0.02 0.14 0.07 -0.55 8.37 8.04 1s16A1 LEU 1307 HA 0.02 0.08 0.51 -0.75 4.35 4.21 1s16A1 LEU 1307 HB2 0.03 -0.02 0.02 -0.04 1.64 1.63 1s16A1 LEU 1307 HB3 0.03 0.03 -0.04 -0.04 1.64 1.61 1s16A1 LEU 1307 HG 0.02 0.01 -0.05 -0.04 1.64 1.58 1s16A1 LEU 1307 HD13 0.04 0.00 -0.16 -0.04 0.93 0.77 1s16A1 LEU 1307 HD23 0.02 0.01 -0.22 -0.04 0.89 0.65 1s16A1 SER 1308 H 0.03 0.15 0.20 -0.55 8.46 8.29 1s16A1 SER 1308 HA 0.01 0.23 0.80 -0.75 4.49 4.78 1s16A1 SER 1308 HB2 0.01 -0.04 0.12 -0.04 3.95 4.00 1s16A1 SER 1308 HB3 0.02 0.17 -0.05 -0.04 3.93 4.03 1s16A1 ALA 1309 H -0.00 0.20 0.10 -0.55 8.40 8.16 1s16A1 ALA 1309 HA 0.01 0.11 0.31 -0.75 4.34 4.01 1s16A1 ALA 1309 HB3 -0.09 0.02 0.04 -0.04 1.41 1.35 1s16A1 GLU 1310 H 0.06 0.11 -0.20 -0.55 8.60 8.02 1s16A1 GLU 1310 HA 0.20 0.04 0.35 -0.75 4.29 4.13 1s16A1 GLU 1310 HB2 0.07 0.00 0.01 -0.04 2.09 2.13 1s16A1 GLU 1310 HB3 0.09 0.08 -0.02 -0.04 1.99 2.11 1s16A1 GLU 1310 HG2 0.06 0.09 0.00 -0.04 2.34 2.45 1s16A1 GLU 1310 HG3 0.10 0.03 0.02 -0.04 2.34 2.45 1s16A1 ASP 1311 H 0.08 0.21 -0.32 -0.55 8.40 7.83 1s16A1 ASP 1311 HA 0.07 0.09 0.37 -0.75 4.63 4.41 1s16A1 ASP 1311 HB2 0.05 0.06 0.09 -0.04 2.71 2.88 1s16A1 ASP 1311 HB3 0.03 0.15 0.16 -0.04 2.70 3.00 1s16A1 ILE 1312 H 0.17 0.34 -0.25 -0.55 8.25 7.96 1s16A1 ILE 1312 HA 0.13 0.26 0.94 -0.75 4.18 4.75 1s16A1 ILE 1312 HB 0.32 -0.01 0.01 -0.04 1.89 2.17 1s16A1 ILE 1312 HG12 0.14 -0.06 -0.22 -0.04 1.49 1.31 1s16A1 ILE 1312 HG13 0.15 0.04 0.00 -0.04 1.21 1.36 1s16A1 ILE 1312 HG23 0.03 -0.00 -0.16 -0.04 0.93 0.75 1s16A1 ILE 1312 HD13 0.27 0.01 -0.27 -0.04 0.88 0.85 1s16A1 TRP 1313 H 0.35 0.18 -0.07 -0.55 7.97 7.89 1s16A1 TRP 1313 HA 0.12 0.20 0.86 -0.75 4.62 5.05 1s16A1 TRP 1313 HB2 0.03 0.02 -0.05 -0.04 3.23 3.18 1s16A1 TRP 1313 HB3 0.04 -0.06 -0.06 -0.04 3.23 3.11 1s16A1 TRP 1313 HD1 0.02 -0.01 -0.16 -0.04 7.22 7.03 1s16A1 TRP 1313 HE1 0.01 -0.01 -0.08 -0.04 10.20 10.08 1s16A1 TRP 1313 HE3 -0.07 0.08 -0.09 -0.04 7.59 7.47 1s16A1 TRP 1313 HZ2 -0.11 -0.05 -0.08 -0.04 7.44 7.16 1s16A1 TRP 1313 HZ3 -0.44 0.00 -0.19 -0.04 7.13 6.47 1s16A1 TRP 1313 HH2 -1.07 -0.06 -0.09 -0.04 7.19 5.93 1s16A1 ASP 1314 H 0.22 0.55 0.16 -0.55 8.40 8.78 1s16A1 ASP 1314 HA 0.04 -0.00 0.34 -0.75 4.63 4.26 1s16A1 ASP 1314 HB2 0.10 0.05 0.07 -0.04 2.71 2.89 1s16A1 ASP 1314 HB3 0.05 0.02 -0.06 -0.04 2.70 2.67 1s16A1 ARG 1315 H 0.15 0.10 -0.43 -0.55 8.46 7.72 1s16A1 ARG 1315 HA -0.03 0.26 0.81 -0.75 4.34 4.63 1s16A1 ARG 1315 HB2 0.20 -0.02 -0.11 -0.04 1.90 1.94 1s16A1 ARG 1315 HB3 0.09 -0.03 -0.12 -0.04 1.80 1.70 1s16A1 ARG 1315 HG2 0.07 -0.10 -0.23 -0.04 1.67 1.36 1s16A1 ARG 1315 HG3 0.06 0.04 -0.07 -0.04 1.67 1.65 1s16A1 ARG 1315 HD2 0.00 0.17 -0.24 -0.04 3.22 3.11 1s16A1 ARG 1315 HD3 0.02 -0.04 -0.09 -0.04 3.22 3.06 1s16A1 CYS 1316 H -0.23 0.51 -0.34 -0.55 8.50 7.88 1s16A1 CYS 1316 HA -0.73 0.18 0.85 -0.75 4.58 4.13 1s16A1 CYS 1316 HB2 -0.20 0.16 0.09 -0.04 2.97 2.98 1s16A1 CYS 1316 HB3 -0.76 0.01 0.17 -0.04 2.97 2.35 1s16A1 ALA 1317 H -0.44 0.61 0.41 -0.55 8.40 8.43 1s16A1 ALA 1317 HA -0.37 0.16 0.82 -0.75 4.34 4.20 1s16A1 ALA 1317 HB3 -0.22 -0.02 0.08 -0.04 1.41 1.21 1s16A1 TYR 1318 H -0.62 0.63 0.49 -0.55 8.29 8.24 1s16A1 TYR 1318 HA -0.17 0.21 0.91 -0.75 4.56 4.75 1s16A1 TYR 1318 HB2 -0.13 -0.03 0.01 -0.04 3.06 2.87 1s16A1 TYR 1318 HB3 -0.35 0.05 -0.34 -0.04 2.98 2.30 1s16A1 TYR 1318 HD2 -0.37 0.07 -0.40 -0.04 7.15 6.41 1s16A1 TYR 1318 HE2 -0.41 0.01 -0.20 -0.04 6.85 6.21 1s16A1 VAL 1319 H 0.14 0.62 0.36 -0.55 8.24 8.80 1s16A1 VAL 1319 HA 0.14 0.25 0.93 -0.75 4.13 4.70 1s16A1 VAL 1319 HB 0.13 -0.08 0.13 -0.04 2.12 2.26 1s16A1 VAL 1319 HG13 0.25 -0.01 -0.17 -0.04 0.97 1.00 1s16A1 VAL 1319 HG23 0.09 0.00 -0.20 -0.04 0.95 0.80 1s16A1 LEU 1320 H 0.31 0.67 0.35 -0.55 8.37 9.16 1s16A1 LEU 1320 HA 0.24 0.26 1.14 -0.75 4.35 5.23 1s16A1 LEU 1320 HB2 0.10 0.03 -0.04 -0.04 1.64 1.70 1s16A1 LEU 1320 HB3 0.17 -0.07 0.20 -0.04 1.64 1.90 1s16A1 LEU 1320 HG 0.16 -0.03 -0.26 -0.04 1.64 1.46 1s16A1 LEU 1320 HD13 0.07 0.05 -0.04 -0.04 0.93 0.97 1s16A1 LEU 1320 HD23 -0.15 -0.03 -0.19 -0.04 0.89 0.48 1s16A1 SER 1321 H 0.17 0.83 0.35 -0.55 8.46 9.26 1s16A1 SER 1321 HA 0.23 0.12 1.08 -0.75 4.49 5.15 1s16A1 SER 1321 HB2 0.02 -0.00 -0.15 -0.04 3.95 3.77 1s16A1 SER 1321 HB3 0.02 0.00 0.11 -0.04 3.93 4.03 1s16A1 VAL 1322 H 0.19 0.65 0.31 -0.55 8.24 8.84 1s16A1 VAL 1322 HA 0.12 0.26 1.12 -0.75 4.13 4.88 1s16A1 VAL 1322 HB 0.16 0.03 0.21 -0.04 2.12 2.47 1s16A1 VAL 1322 HG13 0.13 -0.01 -0.10 -0.04 0.97 0.96 1s16A1 VAL 1322 HG23 0.22 -0.03 -0.02 -0.04 0.95 1.08 1s16A1 LYS 1323 H -0.02 0.74 0.39 -0.55 8.42 8.97 1s16A1 LYS 1323 HA -0.23 0.04 0.89 -0.75 4.32 4.26 1s16A1 LYS 1323 HB2 -0.62 -0.08 0.05 -0.04 1.87 1.19 1s16A1 LYS 1323 HB3 -1.75 0.08 -0.07 -0.04 1.79 0.01 1s16A1 LYS 1323 HG2 -0.19 -0.05 -0.32 -0.04 1.46 0.87 1s16A1 LYS 1323 HG3 -0.36 0.08 -0.10 -0.04 1.46 1.03 1s16A1 LYS 1323 HD2 -0.26 0.06 -0.05 -0.04 1.69 1.40 1s16A1 LYS 1323 HD3 -0.15 -0.11 -0.03 -0.04 1.68 1.35 1s16A1 LYS 1323 HE2 -0.03 0.03 -0.11 -0.04 2.99 2.84 1s16A1 LYS 1323 HE3 -0.07 -0.03 -0.16 -0.04 2.99 2.69 1s16A1 MET 1324 H -0.07 0.31 0.14 -0.55 8.47 8.30 1s16A1 MET 1324 HA 0.01 0.25 0.91 -0.75 4.52 4.94 1s16A1 MET 1324 HB2 -0.03 0.03 -0.02 -0.04 2.15 2.09 1s16A1 MET 1324 HB3 -0.02 -0.07 -0.10 -0.04 2.03 1.81 1s16A1 MET 1324 HG2 -0.04 0.08 -0.02 -0.04 2.63 2.60 1s16A1 MET 1324 HG3 -0.03 -0.06 -0.42 -0.04 2.56 2.01 1s16A1 MET 1324 HE3 -0.07 0.01 -0.08 -0.04 2.10 1.92 1s16A1 GLN 1325 H 0.18 0.39 0.25 -0.55 8.47 8.74 1s16A1 GLN 1325 HA 0.18 0.31 0.60 -0.75 4.36 4.70 1s16A1 GLN 1325 HB2 0.09 -0.02 0.23 -0.04 2.15 2.41 1s16A1 GLN 1325 HB3 0.05 -0.09 0.15 -0.04 2.02 2.09 1s16A1 GLN 1325 HG2 0.01 -0.01 0.02 -0.04 2.40 2.38 1s16A1 GLN 1325 HG3 -0.08 0.16 0.19 -0.04 2.39 2.62 1s16A1 GLN 1325 HE21 -0.01 -0.04 0.00 -0.04 6.97 6.88 1s16A1 GLN 1325 HE22 0.00 0.00 -0.02 -0.04 7.69 7.63 1s16A1 ASP 1326 H 0.04 -0.07 -0.21 -0.55 8.40 7.61 1s16A1 ASP 1326 HA 0.04 0.32 0.75 -0.75 4.63 4.98 1s16A1 ASP 1326 HB2 0.03 0.01 -0.23 -0.04 2.71 2.47 1s16A1 ASP 1326 HB3 0.01 -0.12 0.13 -0.04 2.70 2.68 1s16A1 PRO 1327 HA -0.17 -0.05 0.45 -0.51 4.44 4.16 1s16A1 PRO 1327 HB2 -0.72 -0.04 -0.07 -0.04 2.28 1.41 1s16A1 PRO 1327 HB3 -0.22 -0.05 0.01 -0.04 2.02 1.72 1s16A1 PRO 1327 HG2 -0.03 0.03 -0.09 -0.04 2.03 1.90 1s16A1 PRO 1327 HG3 0.04 0.15 -0.04 -0.04 2.03 2.13 1s16A1 PRO 1327 HD2 0.03 0.27 -0.01 -0.04 3.68 3.93 1s16A1 PRO 1327 HD3 0.03 0.22 -0.19 -0.04 3.65 3.67 1s16A1 GLN 1328 H -0.35 0.03 0.14 -0.55 8.47 7.74 1s16A1 GLN 1328 HA -0.06 0.26 0.81 -0.75 4.36 4.61 1s16A1 GLN 1328 HB2 -0.05 0.12 -0.09 -0.04 2.15 2.09 1s16A1 GLN 1328 HB3 -0.09 -0.23 0.05 -0.04 2.02 1.71 1s16A1 GLN 1328 HG2 0.01 0.03 -0.25 -0.04 2.40 2.15 1s16A1 GLN 1328 HG3 0.03 0.11 0.00 -0.04 2.39 2.49 1s16A1 GLN 1328 HE21 -0.00 -0.01 -0.02 -0.04 6.97 6.90 1s16A1 GLN 1328 HE22 0.01 0.07 -0.02 -0.04 7.69 7.71 1s16A1 PHE 1329 H 0.16 0.26 0.09 -0.55 8.34 8.30 1s16A1 PHE 1329 HA 0.02 0.18 1.05 -0.75 4.62 5.11 1s16A1 PHE 1329 HB2 0.08 0.06 0.07 -0.04 3.15 3.32 1s16A1 PHE 1329 HB3 0.05 -0.12 0.13 -0.04 3.06 3.08 1s16A1 PHE 1329 HD2 -0.06 0.01 -0.20 -0.04 7.28 6.99 1s16A1 PHE 1329 HE2 -0.06 0.09 -0.11 -0.04 7.38 7.26 1s16A1 PHE 1329 HZ -0.03 0.10 -0.04 -0.04 7.32 7.31 1s16A1 ALA 1330 H 0.20 0.48 0.26 -0.55 8.40 8.80 1s16A1 ALA 1330 HA 0.08 0.16 0.53 -0.75 4.34 4.35 1s16A1 ALA 1330 HB3 0.06 -0.01 0.05 -0.04 1.41 1.47 1s16A1 GLY 1331 H 0.18 0.14 -0.19 -0.55 8.43 8.02 1s16A1 GLY 1331 HA2 0.02 0.22 0.43 -0.51 4.01 4.17 1s16A1 GLY 1331 HA3 0.01 0.05 0.32 -0.51 4.01 3.88 1s16A1 GLN 1332 H -0.04 0.35 0.14 -0.55 8.47 8.37 1s16A1 GLN 1332 HA 0.27 0.04 0.40 -0.75 4.36 4.31 1s16A1 GLN 1332 HB2 0.00 0.02 0.15 -0.04 2.15 2.27 1s16A1 GLN 1332 HB3 -0.03 0.12 0.10 -0.04 2.02 2.16 1s16A1 GLN 1332 HG2 0.15 0.13 0.06 -0.04 2.40 2.70 1s16A1 GLN 1332 HG3 0.08 0.04 -0.21 -0.04 2.39 2.25 1s16A1 GLN 1332 HE21 0.09 -0.25 0.10 -0.04 6.97 6.88 1s16A1 GLN 1332 HE22 0.09 0.10 0.04 -0.04 7.69 7.88 1s16A1 THR 1333 H -0.06 0.07 -0.33 -0.55 8.28 7.42 1s16A1 THR 1333 HA -0.21 0.13 0.40 -0.75 4.39 3.95 1s16A1 THR 1333 HB -0.13 -0.04 -0.07 -0.04 4.32 4.03 1s16A1 THR 1333 HG23 -0.27 -0.01 -0.13 -0.04 1.22 0.77 1s16A1 LYS 1334 H -0.02 0.26 -0.54 -0.55 8.42 7.56 1s16A1 LYS 1334 HA -0.07 -0.10 0.27 -0.75 4.32 3.67 1s16A1 LYS 1334 HB2 -0.35 0.19 -0.13 -0.04 1.87 1.54 1s16A1 LYS 1334 HB3 -1.29 -0.05 0.07 -0.04 1.79 0.48 1s16A1 LYS 1334 HG2 -0.63 -0.07 -0.02 -0.04 1.46 0.70 1s16A1 LYS 1334 HG3 -0.20 0.17 -0.32 -0.04 1.46 1.07 1s16A1 LYS 1334 HD2 -0.33 0.00 -0.09 -0.04 1.69 1.24 1s16A1 LYS 1334 HD3 -0.90 0.06 -0.01 -0.04 1.68 0.79 1s16A1 LYS 1334 HE2 -0.40 -0.07 0.04 -0.04 2.99 2.51 1s16A1 LYS 1334 HE3 -0.15 0.07 0.06 -0.04 2.99 2.93 1s16A1 GLU 1335 H 0.01 0.02 -0.20 -0.55 8.60 7.88 1s16A1 GLU 1335 HA 0.02 0.17 0.60 -0.75 4.29 4.33 1s16A1 GLU 1335 HB2 0.02 -0.00 -0.04 -0.04 2.09 2.03 1s16A1 GLU 1335 HB3 0.02 -0.04 -0.00 -0.04 1.99 1.93 1s16A1 GLU 1335 HG2 -0.00 0.09 -0.06 -0.04 2.34 2.33 1s16A1 GLU 1335 HG3 -0.04 -0.07 -0.16 -0.04 2.34 2.03 1s16A1 ARG 1336 H 0.13 -0.01 -0.17 -0.55 8.46 7.85 1s16A1 ARG 1336 HA 0.16 0.50 0.78 -0.75 4.34 5.03 1s16A1 ARG 1336 HB2 0.08 0.05 -0.35 -0.04 1.90 1.63 1s16A1 ARG 1336 HB3 0.09 -0.13 -0.06 -0.04 1.80 1.66 1s16A1 ARG 1336 HG2 0.08 -0.01 -0.39 -0.04 1.67 1.30 1s16A1 ARG 1336 HG3 0.09 0.12 -0.32 -0.04 1.67 1.51 1s16A1 ARG 1336 HD2 0.04 -0.01 -0.10 -0.04 3.22 3.11 1s16A1 ARG 1336 HD3 0.05 0.05 -0.12 -0.04 3.22 3.15 1s16A1 LEU 1337 H 0.16 0.54 0.31 -0.55 8.37 8.83 1s16A1 LEU 1337 HA -0.10 0.19 0.82 -0.75 4.35 4.51 1s16A1 LEU 1337 HB2 -0.29 0.13 0.05 -0.04 1.64 1.49 1s16A1 LEU 1337 HB3 -0.14 -0.22 0.17 -0.04 1.64 1.41 1s16A1 LEU 1337 HG -0.20 -0.24 0.00 -0.04 1.64 1.16 1s16A1 LEU 1337 HD13 -0.62 0.06 0.00 -0.04 0.93 0.34 1s16A1 LEU 1337 HD23 -0.30 -0.03 -0.02 -0.04 0.89 0.49 1s16A1 SER 1338 H -0.08 0.77 0.34 -0.55 8.46 8.95 1s16A1 SER 1338 HA -0.00 0.15 0.87 -0.75 4.49 4.75 1s16A1 SER 1338 HB2 0.00 0.01 0.09 -0.04 3.95 4.02 1s16A1 SER 1338 HB3 0.02 0.01 -0.10 -0.04 3.93 3.82 1s16A1 SER 1339 H -0.12 0.07 0.02 -0.55 8.46 7.89 1s16A1 SER 1339 HA -0.05 0.12 0.50 -0.75 4.49 4.31 1s16A1 SER 1339 HB2 -0.14 -0.02 0.21 -0.04 3.95 3.96 1s16A1 SER 1339 HB3 -0.12 -0.06 0.17 -0.04 3.93 3.88 1s16A1 ARG 1340 H -0.02 0.25 0.28 -0.55 8.46 8.42 1s16A1 ARG 1340 HA -0.01 0.07 0.30 -0.75 4.34 3.94 1s16A1 ARG 1340 HB2 -0.01 0.02 0.04 -0.04 1.90 1.92 1s16A1 ARG 1340 HB3 -0.01 0.11 0.17 -0.04 1.80 2.03 1s16A1 ARG 1340 HG2 -0.01 -0.02 0.15 -0.04 1.67 1.75 1s16A1 ARG 1340 HG3 -0.01 -0.06 0.04 -0.04 1.67 1.60 1s16A1 ARG 1340 HD2 -0.01 0.05 0.05 -0.04 3.22 3.27 1s16A1 ARG 1340 HD3 -0.01 0.03 0.03 -0.04 3.22 3.23 1s16A1 GLN 1341 H -0.01 0.14 -0.10 -0.55 8.47 7.96 1s16A1 GLN 1341 HA 0.02 0.11 0.46 -0.75 4.36 4.19 1s16A1 GLN 1341 HB2 -0.01 0.03 0.03 -0.04 2.15 2.16 1s16A1 GLN 1341 HB3 0.01 0.02 0.05 -0.04 2.02 2.06 1s16A1 GLN 1341 HG2 0.01 0.04 0.02 -0.04 2.40 2.43 1s16A1 GLN 1341 HG3 -0.00 -0.05 -0.00 -0.04 2.39 2.29 1s16A1 GLN 1341 HE21 -0.01 0.06 -0.01 -0.04 6.97 6.97 1s16A1 GLN 1341 HE22 -0.01 -0.05 -0.02 -0.04 7.69 7.57 1s16A1 CYS 1342 H 0.02 0.37 -0.41 -0.55 8.50 7.92 1s16A1 CYS 1342 HA 0.17 0.08 0.37 -0.75 4.58 4.45 1s16A1 CYS 1342 HB2 0.01 0.00 0.02 -0.04 2.97 2.97 1s16A1 CYS 1342 HB3 0.04 0.01 -0.11 -0.04 2.97 2.87 1s16A1 ALA 1343 H 0.03 0.36 -0.32 -0.55 8.40 7.93 1s16A1 ALA 1343 HA -0.01 0.17 0.44 -0.75 4.34 4.18 1s16A1 ALA 1343 HB3 -0.02 0.01 0.07 -0.04 1.41 1.42 1s16A1 ALA 1344 H 0.02 0.19 -0.12 -0.55 8.40 7.95 1s16A1 ALA 1344 HA -0.01 0.06 0.36 -0.75 4.34 3.99 1s16A1 ALA 1344 HB3 0.02 0.04 0.05 -0.04 1.41 1.49 1s16A1 PHE 1345 H 0.18 0.36 -0.27 -0.55 8.34 8.05 1s16A1 PHE 1345 HA -0.03 0.04 0.35 -0.75 4.62 4.24 1s16A1 PHE 1345 HB2 0.01 0.02 0.04 -0.04 3.15 3.17 1s16A1 PHE 1345 HB3 0.01 0.02 0.14 -0.04 3.06 3.19 1s16A1 PHE 1345 HD2 0.01 -0.01 -0.03 -0.04 7.28 7.21 1s16A1 PHE 1345 HE2 0.10 0.07 -0.16 -0.04 7.38 7.35 1s16A1 PHE 1345 HZ 0.28 -0.01 -0.33 -0.04 7.32 7.21 1s16A1 VAL 1346 H -0.02 0.57 -0.05 -0.55 8.24 8.18 1s16A1 VAL 1346 HA -0.55 0.01 0.32 -0.75 4.13 3.16 1s16A1 VAL 1346 HB -0.11 0.05 0.15 -0.04 2.12 2.17 1s16A1 VAL 1346 HG13 -0.23 0.02 -0.21 -0.04 0.97 0.51 1s16A1 VAL 1346 HG23 -0.01 -0.00 0.06 -0.04 0.95 0.96 1s16A1 SER 1347 H -0.11 0.65 -0.17 -0.55 8.46 8.28 1s16A1 SER 1347 HA -0.16 0.12 0.36 -0.75 4.49 4.06 1s16A1 SER 1347 HB2 -0.10 0.03 0.14 -0.04 3.95 3.98 1s16A1 SER 1347 HB3 -0.06 0.03 0.12 -0.04 3.93 3.97 1s16A1 GLY 1348 H -0.08 0.65 -0.16 -0.55 8.43 8.30 1s16A1 GLY 1348 HA2 -0.04 -0.01 0.38 -0.51 4.01 3.83 1s16A1 GLY 1348 HA3 -0.05 0.08 0.31 -0.51 4.01 3.83 1s16A1 VAL 1349 H -0.20 0.48 -0.10 -0.55 8.24 7.86 1s16A1 VAL 1349 HA -0.04 0.03 0.36 -0.75 4.13 3.72 1s16A1 VAL 1349 HB -0.21 0.05 0.05 -0.04 2.12 1.98 1s16A1 VAL 1349 HG13 0.29 -0.01 -0.23 -0.04 0.97 0.98 1s16A1 VAL 1349 HG23 -0.33 0.03 -0.02 -0.04 0.95 0.59 1s16A1 VAL 1350 H -0.22 0.68 -0.15 -0.55 8.24 8.00 1s16A1 VAL 1350 HA -0.37 0.01 0.36 -0.75 4.13 3.37 1s16A1 VAL 1350 HB -0.32 0.10 0.09 -0.04 2.12 1.95 1s16A1 VAL 1350 HG13 -0.39 0.02 -0.26 -0.04 0.97 0.30 1s16A1 VAL 1350 HG23 -1.04 -0.01 -0.07 -0.04 0.95 -0.21 1s16A1 LYS 1351 H -0.06 0.72 -0.03 -0.55 8.42 8.50 1s16A1 LYS 1351 HA 0.11 0.10 0.37 -0.75 4.32 4.14 1s16A1 LYS 1351 HB2 -0.00 -0.02 0.20 -0.04 1.87 2.01 1s16A1 LYS 1351 HB3 0.00 0.07 0.16 -0.04 1.79 1.98 1s16A1 LYS 1351 HG2 0.05 -0.03 -0.33 -0.04 1.46 1.11 1s16A1 LYS 1351 HG3 0.05 -0.06 -0.07 -0.04 1.46 1.34 1s16A1 LYS 1351 HD2 0.01 -0.03 -0.07 -0.04 1.69 1.56 1s16A1 LYS 1351 HD3 0.01 0.01 -0.07 -0.04 1.68 1.59 1s16A1 LYS 1351 HE2 0.02 -0.01 -0.11 -0.04 2.99 2.85 1s16A1 LYS 1351 HE3 0.03 0.03 -0.20 -0.04 2.99 2.81 1s16A1 ASP 1352 H 0.05 0.57 -0.15 -0.55 8.40 8.32 1s16A1 ASP 1352 HA 0.08 -0.00 0.39 -0.75 4.63 4.35 1s16A1 ASP 1352 HB2 0.08 0.11 0.14 -0.04 2.71 3.00 1s16A1 ASP 1352 HB3 0.08 -0.05 0.00 -0.04 2.70 2.69 1s16A1 ALA 1353 H 0.25 0.54 -0.15 -0.55 8.40 8.49 1s16A1 ALA 1353 HA 0.33 0.02 0.47 -0.75 4.34 4.40 1s16A1 ALA 1353 HB3 0.60 0.01 0.10 -0.04 1.41 2.08 1s16A1 PHE 1354 H 0.44 0.72 -0.11 -0.55 8.34 8.83 1s16A1 PHE 1354 HA -0.08 0.02 0.44 -0.75 4.62 4.24 1s16A1 PHE 1354 HB2 0.11 0.06 0.04 -0.04 3.15 3.32 1s16A1 PHE 1354 HB3 0.03 0.05 0.07 -0.04 3.06 3.16 1s16A1 PHE 1354 HD2 -0.65 -0.00 0.02 -0.04 7.28 6.60 1s16A1 PHE 1354 HE2 -0.31 0.02 -0.02 -0.04 7.38 7.03 1s16A1 PHE 1354 HZ -0.32 0.02 -0.04 -0.04 7.32 6.94 1s16A1 ILE 1355 H 0.15 0.69 -0.03 -0.55 8.25 8.51 1s16A1 ILE 1355 HA -0.13 0.04 0.46 -0.75 4.18 3.79 1s16A1 ILE 1355 HB 0.03 -0.00 0.14 -0.04 1.89 2.02 1s16A1 ILE 1355 HG12 -0.00 -0.01 -0.02 -0.04 1.49 1.41 1s16A1 ILE 1355 HG13 -0.00 -0.02 -0.11 -0.04 1.21 1.03 1s16A1 ILE 1355 HG23 0.06 0.05 0.05 -0.04 0.93 1.04 1s16A1 ILE 1355 HD13 0.03 0.02 0.06 -0.04 0.88 0.95 1s16A1 LEU 1356 H 0.14 0.46 -0.21 -0.55 8.37 8.21 1s16A1 LEU 1356 HA 0.05 0.02 0.41 -0.75 4.35 4.07 1s16A1 LEU 1356 HB2 0.11 0.02 0.13 -0.04 1.64 1.86 1s16A1 LEU 1356 HB3 0.20 0.13 0.18 -0.04 1.64 2.11 1s16A1 LEU 1356 HG 0.13 -0.00 -0.20 -0.04 1.64 1.52 1s16A1 LEU 1356 HD13 0.04 -0.02 0.04 -0.04 0.93 0.95 1s16A1 LEU 1356 HD23 0.11 -0.01 0.01 -0.04 0.89 0.96 1s16A1 TRP 1357 H 0.35 0.56 -0.13 -0.55 7.97 8.21 1s16A1 TRP 1357 HA 0.07 0.01 0.39 -0.75 4.62 4.33 1s16A1 TRP 1357 HB2 0.34 0.08 0.14 -0.04 3.23 3.75 1s16A1 TRP 1357 HB3 -0.11 0.07 0.15 -0.04 3.23 3.30 1s16A1 TRP 1357 HD1 0.29 0.01 0.05 -0.04 7.22 7.53 1s16A1 TRP 1357 HE1 0.21 -0.01 0.03 -0.04 10.20 10.40 1s16A1 TRP 1357 HE3 -0.36 0.09 -0.23 -0.04 7.59 7.06 1s16A1 TRP 1357 HZ2 0.14 -0.02 0.02 -0.04 7.44 7.54 1s16A1 TRP 1357 HZ3 -0.13 -0.00 -0.11 -0.04 7.13 6.86 1s16A1 TRP 1357 HH2 0.07 -0.06 -0.02 -0.04 7.19 7.14 1s16A1 LEU 1358 H 0.00 0.64 -0.19 -0.55 8.37 8.28 1s16A1 LEU 1358 HA -0.37 -0.03 0.35 -0.75 4.35 3.54 1s16A1 LEU 1358 HB2 -0.37 0.23 0.25 -0.04 1.64 1.71 1s16A1 LEU 1358 HB3 -0.43 -0.01 -0.03 -0.04 1.64 1.12 1s16A1 LEU 1358 HG -1.23 -0.06 -0.01 -0.04 1.64 0.30 1s16A1 LEU 1358 HD13 -0.57 -0.01 -0.00 -0.04 0.93 0.31 1s16A1 LEU 1358 HD23 -0.83 0.01 -0.17 -0.04 0.89 -0.13 1s16A1 ASN 1359 H -0.06 0.61 -0.16 -0.55 8.53 8.38 1s16A1 ASN 1359 HA 0.09 -0.01 0.39 -0.75 4.76 4.48 1s16A1 ASN 1359 HB2 -0.01 0.13 0.15 -0.04 2.88 3.10 1s16A1 ASN 1359 HB3 -0.01 -0.07 0.05 -0.04 2.79 2.72 1s16A1 ASN 1359 HD21 -0.08 -0.05 -0.03 -0.04 7.03 6.83 1s16A1 ASN 1359 HD22 -0.04 -0.04 -0.02 -0.04 7.74 7.60 1s16A1 GLN 1360 H -0.17 0.41 -0.41 -0.55 8.47 7.76 1s16A1 GLN 1360 HA -0.10 0.13 0.89 -0.75 4.36 4.53 1s16A1 GLN 1360 HB2 -0.16 0.07 0.09 -0.04 2.15 2.11 1s16A1 GLN 1360 HB3 -0.10 -0.08 0.20 -0.04 2.02 1.99 1s16A1 GLN 1360 HG2 -0.04 -0.03 -0.07 -0.04 2.40 2.22 1s16A1 GLN 1360 HG3 -0.03 0.23 0.02 -0.04 2.39 2.58 1s16A1 GLN 1360 HE21 0.04 -0.05 -0.01 -0.04 6.97 6.91 1s16A1 GLN 1360 HE22 0.05 0.07 -0.07 -0.04 7.69 7.70 1s16A1 ASN 1361 H -0.38 0.48 -0.39 -0.55 8.53 7.69 1s16A1 ASN 1361 HA -0.32 0.09 0.76 -0.75 4.76 4.53 1s16A1 ASN 1361 HB2 -1.53 0.11 0.15 -0.04 2.88 1.57 1s16A1 ASN 1361 HB3 -0.74 -0.19 0.21 -0.04 2.79 2.03 1s16A1 ASN 1361 HD21 -0.66 -0.07 -0.08 -0.04 7.03 6.18 1s16A1 ASN 1361 HD22 -1.04 0.63 -0.05 -0.04 7.74 7.24 1s16A1 VAL 1362 H -0.13 0.24 -0.11 -0.55 8.24 7.68 1s16A1 VAL 1362 HA -0.01 0.16 0.38 -0.75 4.13 3.91 1s16A1 VAL 1362 HB -0.02 -0.06 0.11 -0.04 2.12 2.10 1s16A1 VAL 1362 HG13 0.06 0.00 -0.10 -0.04 0.97 0.90 1s16A1 VAL 1362 HG23 0.03 0.04 0.07 -0.04 0.95 1.04 1s16A1 GLN 1363 H -0.07 0.11 -0.14 -0.55 8.47 7.83 1s16A1 GLN 1363 HA -0.01 0.09 0.43 -0.75 4.36 4.12 1s16A1 GLN 1363 HB2 -0.03 0.03 0.12 -0.04 2.15 2.23 1s16A1 GLN 1363 HB3 -0.04 -0.06 0.12 -0.04 2.02 2.00 1s16A1 GLN 1363 HG2 0.00 0.01 -0.17 -0.04 2.40 2.20 1s16A1 GLN 1363 HG3 -0.00 0.02 0.04 -0.04 2.39 2.40 1s16A1 GLN 1363 HE21 0.01 0.01 0.01 -0.04 6.97 6.95 1s16A1 GLN 1363 HE22 0.01 0.01 -0.01 -0.04 7.69 7.66 1s16A1 ALA 1364 H -0.09 0.13 -0.04 -0.55 8.40 7.86 1s16A1 ALA 1364 HA 0.03 0.04 0.48 -0.75 4.34 4.14 1s16A1 ALA 1364 HB3 0.07 0.03 0.14 -0.04 1.41 1.60 1s16A1 ALA 1365 H -0.18 0.56 -0.22 -0.55 8.40 8.01 1s16A1 ALA 1365 HA -0.20 -0.00 0.43 -0.75 4.34 3.81 1s16A1 ALA 1365 HB3 -0.70 0.03 0.07 -0.04 1.41 0.77 1s16A1 GLU 1366 H 0.00 0.72 0.02 -0.55 8.60 8.80 1s16A1 GLU 1366 HA 0.18 0.00 0.44 -0.75 4.29 4.16 1s16A1 GLU 1366 HB2 0.04 0.12 0.20 -0.04 2.09 2.41 1s16A1 GLU 1366 HB3 0.06 -0.04 0.05 -0.04 1.99 2.01 1s16A1 GLU 1366 HG2 0.16 -0.03 0.04 -0.04 2.34 2.47 1s16A1 GLU 1366 HG3 0.24 0.10 0.10 -0.04 2.34 2.73 1s16A1 LEU 1367 H -0.00 0.38 -0.28 -0.55 8.37 7.92 1s16A1 LEU 1367 HA 0.00 0.03 0.44 -0.75 4.35 4.07 1s16A1 LEU 1367 HB2 0.01 0.14 0.18 -0.04 1.64 1.94 1s16A1 LEU 1367 HB3 0.01 -0.02 0.02 -0.04 1.64 1.61 1s16A1 LEU 1367 HG 0.01 0.17 0.08 -0.04 1.64 1.86 1s16A1 LEU 1367 HD13 0.03 -0.02 0.01 -0.04 0.93 0.91 1s16A1 LEU 1367 HD23 0.01 -0.01 0.00 -0.04 0.89 0.86 1s16A1 LEU 1368 H -0.06 0.50 -0.10 -0.55 8.37 8.17 1s16A1 LEU 1368 HA -0.20 0.02 0.42 -0.75 4.35 3.84 1s16A1 LEU 1368 HB2 -0.18 0.13 0.21 -0.04 1.64 1.76 1s16A1 LEU 1368 HB3 -0.38 -0.05 0.00 -0.04 1.64 1.17 1s16A1 LEU 1368 HG -0.03 0.05 0.04 -0.04 1.64 1.66 1s16A1 LEU 1368 HD13 0.12 -0.02 -0.08 -0.04 0.93 0.91 1s16A1 LEU 1368 HD23 -0.59 0.01 -0.07 -0.04 0.89 0.20 1s16A1 ALA 1369 H -0.07 0.72 -0.07 -0.55 8.40 8.43 1s16A1 ALA 1369 HA -0.01 -0.03 0.40 -0.75 4.34 3.94 1s16A1 ALA 1369 HB3 0.15 0.03 0.07 -0.04 1.41 1.62 1s16A1 GLU 1370 H -0.00 0.65 -0.16 -0.55 8.60 8.54 1s16A1 GLU 1370 HA 0.00 -0.01 0.42 -0.75 4.29 3.95 1s16A1 GLU 1370 HB2 0.01 0.03 0.14 -0.04 2.09 2.23 1s16A1 GLU 1370 HB3 -0.01 0.17 0.19 -0.04 1.99 2.30 1s16A1 GLU 1370 HG2 -0.00 -0.02 -0.19 -0.04 2.34 2.09 1s16A1 GLU 1370 HG3 0.00 -0.05 0.06 -0.04 2.34 2.32 1s16A1 MET 1371 H -0.05 0.49 -0.27 -0.55 8.47 8.09 1s16A1 MET 1371 HA -0.02 -0.02 0.41 -0.75 4.52 4.14 1s16A1 MET 1371 HB2 -0.06 -0.01 0.11 -0.04 2.15 2.15 1s16A1 MET 1371 HB3 -0.16 0.21 0.23 -0.04 2.03 2.27 1s16A1 MET 1371 HG2 -0.06 0.02 -0.19 -0.04 2.63 2.36 1s16A1 MET 1371 HG3 -0.02 -0.05 0.02 -0.04 2.56 2.47 1s16A1 MET 1371 HE3 -0.62 0.01 -0.03 -0.04 2.10 1.42 1s16A1 ALA 1372 H -0.07 0.52 -0.11 -0.55 8.40 8.19 1s16A1 ALA 1372 HA -0.02 0.20 0.52 -0.75 4.34 4.28 1s16A1 ALA 1372 HB3 -0.04 -0.01 0.02 -0.04 1.41 1.34 1s16A1 ILE 1373 H -0.01 0.73 0.01 -0.55 8.25 8.43 1s16A1 ILE 1373 HA 0.01 -0.02 0.41 -0.75 4.18 3.82 1s16A1 ILE 1373 HB 0.00 0.07 0.15 -0.04 1.89 2.08 1s16A1 ILE 1373 HG12 0.01 -0.09 -0.01 -0.04 1.49 1.36 1s16A1 ILE 1373 HG13 0.01 0.12 0.08 -0.04 1.21 1.39 1s16A1 ILE 1373 HG23 0.00 -0.01 -0.09 -0.04 0.93 0.80 1s16A1 ILE 1373 HD13 0.02 0.00 -0.08 -0.04 0.88 0.78 1s16A1 SER 1374 H -0.00 0.73 -0.05 -0.55 8.46 8.59 1s16A1 SER 1374 HA 0.00 -0.01 0.42 -0.75 4.49 4.16 1s16A1 SER 1374 HB2 0.01 -0.07 0.08 -0.04 3.95 3.92 1s16A1 SER 1374 HB3 0.00 0.04 0.14 -0.04 3.93 4.07 1s16A1 SER 1375 H 0.01 0.37 -0.48 -0.55 8.46 7.81 1s16A1 SER 1375 HA 0.02 0.02 0.47 -0.75 4.49 4.25 1s16A1 SER 1375 HB2 0.02 0.10 0.17 -0.04 3.95 4.20 1s16A1 SER 1375 HB3 0.02 0.22 0.27 -0.04 3.93 4.40 1s16A1 ALA 1376 H 0.01 0.46 -0.14 -0.55 8.40 8.19 1s16A1 ALA 1376 HA 0.02 -0.03 0.48 -0.75 4.34 4.06 1s16A1 ALA 1376 HB3 0.01 0.04 0.07 -0.04 1.41 1.49 1s16A1 GLN 1377 H 0.01 0.51 -0.15 -0.55 8.47 8.30 1s16A1 GLN 1377 HA 0.01 0.05 0.47 -0.75 4.36 4.13 1s16A1 GLN 1377 HB2 0.01 0.09 0.08 -0.04 2.15 2.28 1s16A1 GLN 1377 HB3 0.00 -0.03 0.04 -0.04 2.02 1.99 1s16A1 GLN 1377 HG2 0.00 -0.06 -0.03 -0.04 2.40 2.28 1s16A1 GLN 1377 HG3 0.01 0.45 0.08 -0.04 2.39 2.89 1s16A1 GLN 1377 HE21 0.00 -0.02 -0.03 -0.04 6.97 6.88 1s16A1 GLN 1377 HE22 0.00 -0.00 -0.04 -0.04 7.69 7.61 1s16A1 ARG 1378 H 0.01 0.52 -0.19 -0.55 8.46 8.25 1s16A1 ARG 1378 HA 0.01 0.01 0.43 -0.75 4.34 4.04 1s16A1 ARG 1378 HB2 0.01 0.12 0.17 -0.04 1.90 2.17 1s16A1 ARG 1378 HB3 0.02 0.11 0.21 -0.04 1.80 2.10 1s16A1 ARG 1378 HG2 0.01 -0.03 -0.13 -0.04 1.67 1.48 1s16A1 ARG 1378 HG3 0.01 -0.04 0.03 -0.04 1.67 1.63 1s16A1 ARG 1378 HD2 0.02 -0.00 0.00 -0.04 3.22 3.20 1s16A1 ARG 1378 HD3 0.01 -0.03 -0.02 -0.04 3.22 3.15 1s16A1 ARG 1379 H 0.02 0.56 -0.17 -0.55 8.46 8.31 1s16A1 ARG 1379 HA 0.02 -0.00 0.37 -0.75 4.34 3.97 1s16A1 ARG 1379 HB2 0.02 0.05 0.13 -0.04 1.90 2.06 1s16A1 ARG 1379 HB3 0.02 0.12 0.14 -0.04 1.80 2.04 1s16A1 ARG 1379 HG2 0.02 0.01 -0.11 -0.04 1.67 1.55 1s16A1 ARG 1379 HG3 0.02 -0.03 0.05 -0.04 1.67 1.66 1s16A1 ARG 1379 HD2 0.03 -0.06 -0.02 -0.04 3.22 3.13 1s16A1 ARG 1379 HD3 0.03 -0.03 -0.02 -0.04 3.22 3.16 1s16A1 MET 1380 H 0.01 0.38 -0.33 -0.55 8.47 7.99 1s16A1 MET 1380 HA 0.01 -0.02 0.50 -0.75 4.52 4.25 1s16A1 MET 1380 HB2 0.01 0.05 0.21 -0.04 2.15 2.38 1s16A1 MET 1380 HB3 0.01 -0.03 -0.00 -0.04 2.03 1.96 1s16A1 MET 1380 HG2 0.01 -0.08 0.06 -0.04 2.63 2.58 1s16A1 MET 1380 HG3 0.01 0.15 0.11 -0.04 2.56 2.79 1s16A1 MET 1380 HE3 0.00 -0.00 -0.02 -0.04 2.10 2.04 1s16A1 ARG 1381 H 0.01 0.64 -0.02 -0.55 8.46 8.53 1s16A1 ARG 1381 HA 0.00 -0.00 0.37 -0.75 4.34 3.96 1s16A1 ARG 1381 HB2 0.01 0.09 0.16 -0.04 1.90 2.11 1s16A1 ARG 1381 HB3 0.01 -0.07 0.02 -0.04 1.80 1.71 1s16A1 ARG 1381 HG2 0.00 -0.05 0.04 -0.04 1.67 1.62 1s16A1 ARG 1381 HG3 0.01 0.16 0.07 -0.04 1.67 1.87 1s16A1 ARG 1381 HD2 0.00 -0.03 0.00 -0.04 3.22 3.16 1s16A1 ARG 1381 HD3 0.00 -0.06 -0.01 -0.04 3.22 3.11 1s16A1 ALA 1382 H 0.01 0.33 -0.43 -0.55 8.40 7.76 1s16A1 ALA 1382 HA 0.01 -0.05 0.38 -0.75 4.34 3.93 1s16A1 ALA 1382 HB3 0.01 0.01 0.07 -0.04 1.41 1.45 1s16A1 ALA 1383 H 0.01 0.34 -0.22 -0.55 8.40 7.98 1s16A1 ALA 1383 HA 0.01 0.04 0.38 -0.75 4.34 4.02 1s16A1 ALA 1383 HB3 0.01 -0.01 0.10 -0.04 1.41 1.47