============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. PHE 5 1.000 76.671 89.361 26.057 -99.200 -91.000 PHE 10 1.000 68.878 77.086 28.398 -99.200 -91.000 HIS 12 0.900 65.939 68.659 24.898 -99.200 -91.000 PHE 21 1.000 63.865 48.988 20.562 -99.200 -91.000 TRP 31 1.040 57.060 57.235 26.018 -99.200 -91.000 TRP6 31 1.020 58.698 57.637 27.667 -99.200 -91.000 PHE 35 1.000 57.773 58.085 20.585 -99.200 -91.000 HIS 46 0.900 66.286 73.956 30.618 -99.200 -91.000 TYR 47 0.840 60.840 76.350 39.258 -99.200 -91.000 TYR 52 0.840 74.340 77.352 39.337 -99.200 -91.000 TYR 57 0.840 75.171 84.509 35.649 -99.200 -91.000 PHE 60 1.000 75.799 90.682 34.179 -99.200 -91.000 TYR 65 0.840 62.148 90.231 30.609 -99.200 -91.000 HIS 67 0.900 62.038 96.260 26.501 -99.200 -91.000 TYR 71 0.840 66.557 88.253 21.409 -99.200 -91.000 PHE 92 1.000 65.440 87.326 34.468 -99.200 -91.000 TRP 100 1.040 50.816 88.846 35.756 -99.200 -91.000 TRP6 100 1.020 48.859 87.642 35.174 -99.200 -91.000 TRP 106 1.040 54.713 82.466 34.045 -99.200 -91.000 TRP6 106 1.020 53.011 83.374 32.673 -99.200 -91.000 HIS 112 0.900 62.365 87.505 21.131 -99.200 -91.000 TYR 123 0.840 66.573 71.547 14.094 -99.200 -91.000 PHE 126 1.000 74.105 75.827 10.948 -99.200 -91.000 PHE 144 1.000 83.094 56.017 12.040 -99.200 -91.000 HIS 149 0.900 88.035 45.718 13.671 -99.200 -91.000 TYR 151 0.840 82.371 50.005 20.601 -99.200 -91.000 PHE 154 1.000 76.386 46.114 21.205 -99.200 -91.000 HIS 165 0.900 66.565 43.934 9.681 -99.200 -91.000 PHE 170 1.000 70.666 60.274 13.678 -99.200 -91.000 TRP 173 1.040 72.432 59.276 20.145 -99.200 -91.000 TRP6 173 1.020 73.280 61.249 19.140 -99.200 -91.000 TYR 177 0.840 72.441 55.645 25.103 -99.200 -91.000 TYR 181 0.840 69.719 58.260 29.542 -99.200 -91.000 HIS 186 0.900 60.312 59.806 32.459 -99.200 -91.000 PHE 188 1.000 57.321 53.530 29.990 -99.200 -91.000 TRP 193 1.040 66.816 43.015 23.559 -99.200 -91.000 TRP6 193 1.020 67.790 44.957 22.646 -99.200 -91.000 TYR 214 0.840 78.929 68.907 15.641 -99.200 -91.000 HIS 217 0.900 89.079 63.437 7.554 -99.200 -91.000 HIS 237 0.900 74.848 88.804 20.685 -99.200 -91.000 TYR 247 0.840 75.301 94.140 23.019 -99.200 -91.000 TYR 253 0.840 72.437 82.367 21.886 -99.200 -91.000 HIS 256 0.900 67.303 70.870 19.396 -99.200 -91.000 TYR 270 0.840 81.430 66.664 22.781 -99.200 -91.000 TYR 277 0.840 67.129 64.143 28.991 -99.200 -91.000 HIS 281 0.900 79.961 76.659 26.478 -99.200 -91.000 TYR 286 0.840 83.726 87.060 34.888 -99.200 -91.000 PHE 287 1.000 86.769 97.071 32.920 -99.200 -91.000 TYR 292 0.840 85.714 94.884 28.493 -99.200 -91.000 PHE 293 1.000 91.782 89.415 31.349 -99.200 -91.000 TYR 297 0.840 83.637 79.043 34.928 -99.200 -91.000 TYR 298 0.840 79.145 70.735 29.366 -99.200 -91.000 HIS 304 0.900 80.320 67.202 42.249 -99.200 -91.000 TYR 307 0.840 82.728 68.979 35.927 -99.200 -91.000 PHE 323 1.000 86.696 83.134 23.424 -99.200 -91.000 TRP 335 1.040 77.724 77.803 6.567 -99.200 -91.000 TRP6 335 1.020 75.805 77.223 5.335 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1nd5B1 LYS 1000 HA -0.06 0.14 0.38 -0.75 4.32 4.02 1nd5B1 LYS 1000 HB2 -0.14 -0.09 0.01 -0.04 1.87 1.61 1nd5B1 LYS 1000 HB3 -0.08 -0.04 0.08 -0.04 1.79 1.71 1nd5B1 LYS 1000 HG2 -0.03 -0.01 -0.29 -0.04 1.46 1.08 1nd5B1 LYS 1000 HG3 0.06 0.04 -0.18 -0.04 1.46 1.34 1nd5B1 LYS 1000 HD2 -0.74 -0.00 -0.13 -0.04 1.69 0.77 1nd5B1 LYS 1000 HD3 -0.29 -0.05 -0.09 -0.04 1.68 1.20 1nd5B1 LYS 1000 HE2 -0.22 -0.01 -0.05 -0.04 2.99 2.67 1nd5B1 LYS 1000 HE3 -0.47 0.02 -0.09 -0.04 2.99 2.41 1nd5B1 GLU 1001 H 0.12 0.72 0.38 -0.55 8.60 9.27 1nd5B1 GLU 1001 HA 0.16 0.14 0.92 -0.75 4.29 4.76 1nd5B1 GLU 1001 HB2 0.28 -0.04 0.10 -0.04 2.09 2.39 1nd5B1 GLU 1001 HB3 0.20 0.11 0.02 -0.04 1.99 2.28 1nd5B1 GLU 1001 HG2 0.13 -0.00 0.02 -0.04 2.34 2.46 1nd5B1 GLU 1001 HG3 0.12 0.02 -0.19 -0.04 2.34 2.25 1nd5B1 LEU 1002 H 0.11 0.16 0.18 -0.55 8.37 8.28 1nd5B1 LEU 1002 HA -0.40 0.12 0.74 -0.75 4.35 4.05 1nd5B1 LEU 1002 HB2 -0.18 -0.02 0.07 -0.04 1.64 1.47 1nd5B1 LEU 1002 HB3 -0.46 -0.00 0.12 -0.04 1.64 1.26 1nd5B1 LEU 1002 HG -1.39 0.08 -0.17 -0.04 1.64 0.12 1nd5B1 LEU 1002 HD13 -0.91 0.00 -0.05 -0.04 0.93 -0.07 1nd5B1 LEU 1002 HD23 -0.90 -0.02 -0.05 -0.04 0.89 -0.12 1nd5B1 LYS 1003 H -0.11 0.58 0.41 -0.55 8.42 8.75 1nd5B1 LYS 1003 HA 0.34 0.19 1.07 -0.75 4.32 5.17 1nd5B1 LYS 1003 HB2 0.23 -0.00 0.08 -0.04 1.87 2.14 1nd5B1 LYS 1003 HB3 0.20 0.07 -0.02 -0.04 1.79 2.00 1nd5B1 LYS 1003 HG2 0.29 -0.07 -0.26 -0.04 1.46 1.37 1nd5B1 LYS 1003 HG3 0.38 -0.02 -0.10 -0.04 1.46 1.68 1nd5B1 LYS 1003 HD2 0.14 0.04 0.01 -0.04 1.69 1.84 1nd5B1 LYS 1003 HD3 0.22 0.15 0.02 -0.04 1.68 2.02 1nd5B1 LYS 1003 HE2 0.22 -0.06 -0.11 -0.04 2.99 3.01 1nd5B1 LYS 1003 HE3 -0.04 -0.02 -0.05 -0.04 2.99 2.84 1nd5B1 PHE 1004 H 0.06 0.24 0.39 -0.55 8.34 8.48 1nd5B1 PHE 1004 HA 0.18 0.42 0.96 -0.75 4.62 5.43 1nd5B1 PHE 1004 HB2 0.02 0.06 -0.07 -0.04 3.15 3.12 1nd5B1 PHE 1004 HB3 -0.04 -0.14 0.05 -0.04 3.06 2.90 1nd5B1 PHE 1004 HD2 0.10 0.11 -0.13 -0.04 7.28 7.32 1nd5B1 PHE 1004 HE2 0.15 -0.06 -0.23 -0.04 7.38 7.20 1nd5B1 PHE 1004 HZ -0.08 -0.08 -0.10 -0.04 7.32 7.01 1nd5B1 VAL 1005 H -0.94 0.49 0.34 -0.55 8.24 7.58 1nd5B1 VAL 1005 HA -0.31 0.16 0.92 -0.75 4.13 4.15 1nd5B1 VAL 1005 HB -0.64 0.04 -0.05 -0.04 2.12 1.43 1nd5B1 VAL 1005 HG13 -0.28 0.01 -0.04 -0.04 0.97 0.63 1nd5B1 VAL 1005 HG23 -0.29 -0.03 -0.10 -0.04 0.95 0.49 1nd5B1 THR 1006 H -0.12 0.57 0.32 -0.55 8.28 8.50 1nd5B1 THR 1006 HA -0.11 0.12 0.88 -0.75 4.39 4.52 1nd5B1 THR 1006 HB 0.03 -0.00 0.01 -0.04 4.32 4.33 1nd5B1 THR 1006 HG23 0.21 -0.02 -0.15 -0.04 1.22 1.22 1nd5B1 LEU 1007 H 0.05 0.34 0.21 -0.55 8.37 8.41 1nd5B1 LEU 1007 HA 0.14 0.27 0.94 -0.75 4.35 4.94 1nd5B1 LEU 1007 HB2 0.12 -0.07 0.14 -0.04 1.64 1.78 1nd5B1 LEU 1007 HB3 0.27 0.02 -0.07 -0.04 1.64 1.81 1nd5B1 LEU 1007 HG 0.13 -0.05 -0.13 -0.04 1.64 1.55 1nd5B1 LEU 1007 HD13 0.25 0.01 -0.10 -0.04 0.93 1.05 1nd5B1 LEU 1007 HD23 0.23 0.02 -0.17 -0.04 0.89 0.93 1nd5B1 VAL 1008 H 0.20 0.85 0.33 -0.55 8.24 9.07 1nd5B1 VAL 1008 HA 0.06 0.12 0.98 -0.75 4.13 4.54 1nd5B1 VAL 1008 HB 0.22 0.02 0.25 -0.04 2.12 2.57 1nd5B1 VAL 1008 HG13 0.04 -0.03 -0.16 -0.04 0.97 0.77 1nd5B1 VAL 1008 HG23 0.07 0.01 -0.10 -0.04 0.95 0.88 1nd5B1 PHE 1009 H -0.49 0.61 0.25 -0.55 8.34 8.16 1nd5B1 PHE 1009 HA 0.19 0.21 1.21 -0.75 4.62 5.48 1nd5B1 PHE 1009 HB2 0.17 0.18 -0.04 -0.04 3.15 3.42 1nd5B1 PHE 1009 HB3 0.16 -0.08 -0.10 -0.04 3.06 3.00 1nd5B1 PHE 1009 HD2 0.20 -0.04 -0.35 -0.04 7.28 7.05 1nd5B1 PHE 1009 HE2 0.12 -0.06 -0.11 -0.04 7.38 7.29 1nd5B1 PHE 1009 HZ 0.14 -0.02 -0.14 -0.04 7.32 7.26 1nd5B1 ARG 1010 H 0.33 0.62 0.18 -0.55 8.46 9.04 1nd5B1 ARG 1010 HA 0.15 0.21 0.70 -0.75 4.34 4.64 1nd5B1 ARG 1010 HB2 0.12 -0.06 -0.18 -0.04 1.90 1.74 1nd5B1 ARG 1010 HB3 0.13 0.09 0.09 -0.04 1.80 2.06 1nd5B1 ARG 1010 HG2 -0.40 0.19 -0.09 -0.04 1.67 1.32 1nd5B1 ARG 1010 HG3 -0.17 -0.26 0.01 -0.04 1.67 1.22 1nd5B1 ARG 1010 HD2 0.06 -0.14 -0.08 -0.04 3.22 3.02 1nd5B1 ARG 1010 HD3 0.05 0.25 -0.24 -0.04 3.22 3.23 1nd5B1 HIS 1011 H -0.00 0.27 0.23 -0.55 8.41 8.37 1nd5B1 HIS 1011 HA -0.07 0.05 0.40 -0.75 4.63 4.26 1nd5B1 HIS 1011 HB2 -0.03 0.06 0.07 -0.04 3.26 3.32 1nd5B1 HIS 1011 HB3 -0.01 -0.02 0.05 -0.04 3.20 3.17 1nd5B1 HIS 1011 HD2 -0.01 0.01 -0.02 -0.04 6.97 6.89 1nd5B1 HIS 1011 HE1 0.29 -0.01 -0.14 -0.04 7.75 7.85 1nd5B1 GLY 1012 H 0.12 0.11 0.17 -0.55 8.43 8.28 1nd5B1 GLY 1012 HA2 0.22 0.08 0.60 -0.51 4.01 4.41 1nd5B1 GLY 1012 HA3 0.18 0.15 0.44 -0.51 4.01 4.27 1nd5B1 ASP 1013 H -0.14 0.14 0.12 -0.55 8.40 7.97 1nd5B1 ASP 1013 HA -2.05 0.04 0.35 -0.75 4.63 2.21 1nd5B1 ASP 1013 HB2 -0.08 0.07 0.03 -0.04 2.71 2.69 1nd5B1 ASP 1013 HB3 -0.05 -0.21 -0.07 -0.04 2.70 2.33 1nd5B1 ARG 1014 H -0.58 0.17 0.17 -0.55 8.46 7.67 1nd5B1 ARG 1014 HA -0.14 0.27 0.83 -0.75 4.34 4.55 1nd5B1 ARG 1014 HB2 -0.15 -0.06 -0.24 -0.04 1.90 1.41 1nd5B1 ARG 1014 HB3 -0.18 0.03 -0.25 -0.04 1.80 1.35 1nd5B1 ARG 1014 HG2 0.30 -0.06 -0.10 -0.04 1.67 1.78 1nd5B1 ARG 1014 HG3 0.06 0.05 -0.29 -0.04 1.67 1.46 1nd5B1 ARG 1014 HD2 -0.09 0.09 -0.12 -0.04 3.22 3.05 1nd5B1 ARG 1014 HD3 -0.11 -0.07 -0.12 -0.04 3.22 2.88 1nd5B1 SER 1015 H -0.22 0.25 0.08 -0.55 8.46 8.02 1nd5B1 SER 1015 HA -0.92 0.12 0.54 -0.75 4.49 3.47 1nd5B1 SER 1015 HB2 -1.44 0.08 0.13 -0.04 3.95 2.67 1nd5B1 SER 1015 HB3 -0.43 -0.01 0.07 -0.04 3.93 3.52 1nd5B1 PRO 1016 HA -0.35 0.05 0.41 -0.51 4.44 4.04 1nd5B1 PRO 1016 HB2 -0.64 0.25 0.10 -0.04 2.28 1.95 1nd5B1 PRO 1016 HB3 -0.37 0.00 0.11 -0.04 2.02 1.72 1nd5B1 PRO 1016 HG2 -1.61 -0.03 -0.08 -0.04 2.03 0.27 1nd5B1 PRO 1016 HG3 -0.49 0.11 -0.01 -0.04 2.03 1.60 1nd5B1 PRO 1016 HD2 -2.03 0.11 0.14 -0.04 3.68 1.86 1nd5B1 PRO 1016 HD3 -1.29 0.14 0.15 -0.04 3.65 2.61 1nd5B1 ILE 1017 H -0.34 0.17 0.22 -0.55 8.25 7.75 1nd5B1 ILE 1017 HA -0.22 0.01 0.66 -0.75 4.18 3.88 1nd5B1 ILE 1017 HB -0.21 0.04 0.11 -0.04 1.89 1.79 1nd5B1 ILE 1017 HG12 -0.09 -0.02 0.05 -0.04 1.49 1.39 1nd5B1 ILE 1017 HG13 -0.14 0.03 0.04 -0.04 1.21 1.09 1nd5B1 ILE 1017 HG23 -0.08 -0.00 -0.01 -0.04 0.93 0.80 1nd5B1 ILE 1017 HD13 -0.08 -0.00 0.02 -0.04 0.88 0.78 1nd5B1 ASP 1018 H -0.52 0.24 0.08 -0.55 8.40 7.65 1nd5B1 ASP 1018 HA -0.52 0.07 0.29 -0.75 4.63 3.72 1nd5B1 ASP 1018 HB2 -0.10 0.15 -0.21 -0.04 2.71 2.51 1nd5B1 ASP 1018 HB3 -0.15 -0.01 -0.14 -0.04 2.70 2.36 1nd5B1 THR 1019 H -0.08 0.25 0.16 -0.55 8.28 8.06 1nd5B1 THR 1019 HA -0.10 0.11 0.53 -0.75 4.39 4.17 1nd5B1 THR 1019 HB -0.26 0.06 0.04 -0.04 4.32 4.12 1nd5B1 THR 1019 HG23 -0.08 0.01 -0.21 -0.04 1.22 0.91 1nd5B1 PHE 1020 H -0.05 0.23 0.29 -0.55 8.34 8.26 1nd5B1 PHE 1020 HA 0.01 0.04 0.53 -0.75 4.62 4.44 1nd5B1 PHE 1020 HB2 0.05 0.07 0.10 -0.04 3.15 3.33 1nd5B1 PHE 1020 HB3 0.06 0.09 0.16 -0.04 3.06 3.33 1nd5B1 PHE 1020 HD2 0.11 0.21 0.21 -0.04 7.28 7.76 1nd5B1 PHE 1020 HE2 0.15 0.03 -0.04 -0.04 7.38 7.48 1nd5B1 PHE 1020 HZ 0.08 -0.00 0.02 -0.04 7.32 7.38 1nd5B1 PRO 1021 HA 0.04 0.04 0.38 -0.51 4.44 4.39 1nd5B1 PRO 1021 HB2 0.06 0.03 0.18 -0.04 2.28 2.51 1nd5B1 PRO 1021 HB3 0.04 0.01 0.08 -0.04 2.02 2.11 1nd5B1 PRO 1021 HG2 0.01 0.07 -0.15 -0.04 2.03 1.92 1nd5B1 PRO 1021 HG3 0.04 0.02 0.07 -0.04 2.03 2.13 1nd5B1 PRO 1021 HD2 0.13 0.08 -0.01 -0.04 3.68 3.83 1nd5B1 PRO 1021 HD3 0.10 0.08 0.18 -0.04 3.65 3.97 1nd5B1 THR 1022 H 0.30 0.62 0.01 -0.55 8.28 8.65 1nd5B1 THR 1022 HA 0.15 -0.00 0.33 -0.75 4.39 4.11 1nd5B1 THR 1022 HB 0.48 0.03 0.12 -0.04 4.32 4.91 1nd5B1 THR 1022 HG23 0.34 -0.01 -0.11 -0.04 1.22 1.40 1nd5B1 ASP 1023 H -0.13 0.34 -0.33 -0.55 8.40 7.73 1nd5B1 ASP 1023 HA 0.07 -0.00 0.35 -0.75 4.63 4.28 1nd5B1 ASP 1023 HB2 -2.27 -0.06 0.13 -0.04 2.71 0.47 1nd5B1 ASP 1023 HB3 -0.51 0.06 -0.02 -0.04 2.70 2.19 1nd5B1 PRO 1024 HA -0.00 0.11 0.50 -0.51 4.44 4.54 1nd5B1 PRO 1024 HB2 -0.01 0.00 0.02 -0.04 2.28 2.26 1nd5B1 PRO 1024 HB3 0.02 -0.01 0.12 -0.04 2.02 2.11 1nd5B1 PRO 1024 HG2 0.08 -0.03 0.08 -0.04 2.03 2.12 1nd5B1 PRO 1024 HG3 0.08 0.13 0.11 -0.04 2.03 2.32 1nd5B1 PRO 1024 HD2 0.06 0.03 0.20 -0.04 3.68 3.94 1nd5B1 PRO 1024 HD3 0.19 0.20 0.19 -0.04 3.65 4.19 1nd5B1 ILE 1025 H -0.10 0.09 -0.28 -0.55 8.25 7.41 1nd5B1 ILE 1025 HA -0.17 0.12 0.59 -0.75 4.18 3.97 1nd5B1 ILE 1025 HB -0.13 -0.04 0.10 -0.04 1.89 1.78 1nd5B1 ILE 1025 HG12 -0.36 0.03 -0.06 -0.04 1.49 1.07 1nd5B1 ILE 1025 HG13 -0.15 -0.06 -0.00 -0.04 1.21 0.95 1nd5B1 ILE 1025 HG23 -0.68 0.01 -0.09 -0.04 0.93 0.13 1nd5B1 ILE 1025 HD13 -0.44 0.03 -0.06 -0.04 0.88 0.37 1nd5B1 LYS 1026 H -0.04 0.35 -0.00 -0.55 8.42 8.17 1nd5B1 LYS 1026 HA 0.06 0.13 0.38 -0.75 4.32 4.14 1nd5B1 LYS 1026 HB2 -0.03 -0.04 0.04 -0.04 1.87 1.80 1nd5B1 LYS 1026 HB3 -0.03 -0.09 0.06 -0.04 1.79 1.68 1nd5B1 LYS 1026 HG2 -0.01 0.11 -0.06 -0.04 1.46 1.47 1nd5B1 LYS 1026 HG3 -0.02 0.16 -0.06 -0.04 1.46 1.49 1nd5B1 LYS 1026 HD2 -0.01 -0.04 0.02 -0.04 1.69 1.61 1nd5B1 LYS 1026 HD3 -0.01 -0.07 0.01 -0.04 1.68 1.56 1nd5B1 LYS 1026 HE2 0.00 0.11 -0.01 -0.04 2.99 3.06 1nd5B1 LYS 1026 HE3 -0.00 0.04 0.02 -0.04 2.99 3.01 1nd5B1 GLU 1027 H -0.11 0.16 0.09 -0.55 8.60 8.20 1nd5B1 GLU 1027 HA -1.30 0.07 0.29 -0.75 4.29 2.60 1nd5B1 GLU 1027 HB2 -0.77 0.04 0.11 -0.04 2.09 1.43 1nd5B1 GLU 1027 HB3 -0.28 -0.05 0.10 -0.04 1.99 1.73 1nd5B1 GLU 1027 HG2 -0.25 0.01 -0.04 -0.04 2.34 2.02 1nd5B1 GLU 1027 HG3 -0.33 0.07 -0.43 -0.04 2.34 1.60 1nd5B1 SER 1028 H -0.11 0.05 -0.22 -0.55 8.46 7.63 1nd5B1 SER 1028 HA -0.04 0.07 0.37 -0.75 4.49 4.15 1nd5B1 SER 1028 HB2 -0.03 0.03 0.08 -0.04 3.95 3.99 1nd5B1 SER 1028 HB3 -0.05 -0.05 0.08 -0.04 3.93 3.87 1nd5B1 SER 1029 H 0.04 0.87 -0.47 -0.55 8.46 8.36 1nd5B1 SER 1029 HA -0.06 0.03 0.44 -0.75 4.49 4.14 1nd5B1 SER 1029 HB2 -0.22 0.07 -0.18 -0.04 3.95 3.58 1nd5B1 SER 1029 HB3 -0.43 -0.07 0.07 -0.04 3.93 3.46 1nd5B1 TRP 1030 H 0.25 0.36 -0.38 -0.55 7.97 7.64 1nd5B1 TRP 1030 HA 0.13 0.19 0.91 -0.75 4.62 5.09 1nd5B1 TRP 1030 HB2 0.03 0.05 -0.03 -0.04 3.23 3.25 1nd5B1 TRP 1030 HB3 0.07 -0.05 -0.03 -0.04 3.23 3.18 1nd5B1 TRP 1030 HD1 0.07 0.10 -0.24 -0.04 7.22 7.11 1nd5B1 TRP 1030 HE1 -0.03 0.05 -0.17 -0.04 10.20 10.01 1nd5B1 TRP 1030 HE3 -0.00 -0.03 -0.01 -0.04 7.59 7.52 1nd5B1 TRP 1030 HZ2 -0.00 -0.01 -0.07 -0.04 7.44 7.31 1nd5B1 TRP 1030 HZ3 -0.58 -0.04 -0.06 -0.04 7.13 6.41 1nd5B1 TRP 1030 HH2 0.10 0.08 -0.41 -0.04 7.19 6.93 1nd5B1 PRO 1031 HA 0.07 0.08 0.35 -0.51 4.44 4.42 1nd5B1 PRO 1031 HB2 0.11 -0.09 0.15 -0.04 2.28 2.40 1nd5B1 PRO 1031 HB3 0.06 0.02 0.09 -0.04 2.02 2.16 1nd5B1 PRO 1031 HG2 0.14 -0.03 0.10 -0.04 2.03 2.20 1nd5B1 PRO 1031 HG3 0.07 0.08 0.12 -0.04 2.03 2.25 1nd5B1 PRO 1031 HD2 0.38 0.08 0.11 -0.04 3.68 4.21 1nd5B1 PRO 1031 HD3 0.17 0.21 0.25 -0.04 3.65 4.25 1nd5B1 GLN 1032 H 0.13 0.11 -0.11 -0.55 8.47 8.05 1nd5B1 GLN 1032 HA 0.04 0.22 0.88 -0.75 4.36 4.75 1nd5B1 GLN 1032 HB2 0.04 -0.04 0.00 -0.04 2.15 2.10 1nd5B1 GLN 1032 HB3 0.04 0.01 0.09 -0.04 2.02 2.12 1nd5B1 GLN 1032 HG2 0.01 -0.05 0.03 -0.04 2.40 2.35 1nd5B1 GLN 1032 HG3 0.01 0.00 0.10 -0.04 2.39 2.46 1nd5B1 GLN 1032 HE21 0.00 -0.01 0.00 -0.04 6.97 6.92 1nd5B1 GLN 1032 HE22 0.00 0.02 -0.01 -0.04 7.69 7.67 1nd5B1 GLY 1033 H 0.08 0.45 -0.41 -0.55 8.43 8.01 1nd5B1 GLY 1033 HA2 -0.07 0.07 0.22 -0.51 4.01 3.72 1nd5B1 GLY 1033 HA3 -0.03 0.02 0.42 -0.51 4.01 3.91 1nd5B1 PHE 1034 H -0.01 0.06 0.15 -0.55 8.34 7.98 1nd5B1 PHE 1034 HA -0.31 0.16 0.65 -0.75 4.62 4.37 1nd5B1 PHE 1034 HB2 -0.10 -0.08 0.08 -0.04 3.15 3.01 1nd5B1 PHE 1034 HB3 -0.16 0.08 0.07 -0.04 3.06 3.02 1nd5B1 PHE 1034 HD2 -0.29 0.07 -0.12 -0.04 7.28 6.90 1nd5B1 PHE 1034 HE2 -0.15 0.02 -0.11 -0.04 7.38 7.10 1nd5B1 PHE 1034 HZ -0.06 0.06 -0.12 -0.04 7.32 7.16 1nd5B1 GLY 1035 H -0.15 0.59 -0.09 -0.55 8.43 8.23 1nd5B1 GLY 1035 HA2 -0.11 0.04 0.21 -0.51 4.01 3.64 1nd5B1 GLY 1035 HA3 -0.04 -0.02 0.35 -0.51 4.01 3.79 1nd5B1 GLN 1036 H -0.07 0.11 -0.68 -0.55 8.47 7.28 1nd5B1 GLN 1036 HA -0.06 0.00 0.85 -0.75 4.36 4.41 1nd5B1 GLN 1036 HB2 -0.00 0.17 -0.26 -0.04 2.15 2.02 1nd5B1 GLN 1036 HB3 0.00 0.02 -0.14 -0.04 2.02 1.86 1nd5B1 GLN 1036 HG2 0.00 0.22 0.06 -0.04 2.40 2.64 1nd5B1 GLN 1036 HG3 -0.01 -0.08 0.03 -0.04 2.39 2.29 1nd5B1 GLN 1036 HE21 -0.00 -0.15 -0.03 -0.04 6.97 6.74 1nd5B1 GLN 1036 HE22 0.00 0.25 -0.01 -0.04 7.69 7.89 1nd5B1 LEU 1037 H -0.06 0.03 0.15 -0.55 8.37 7.94 1nd5B1 LEU 1037 HA -0.08 0.27 0.49 -0.75 4.35 4.27 1nd5B1 LEU 1037 HB2 -0.07 -0.04 0.15 -0.04 1.64 1.64 1nd5B1 LEU 1037 HB3 -0.03 -0.02 -0.00 -0.04 1.64 1.55 1nd5B1 LEU 1037 HG -0.01 0.05 -0.07 -0.04 1.64 1.57 1nd5B1 LEU 1037 HD13 -0.03 0.09 -0.08 -0.04 0.93 0.88 1nd5B1 LEU 1037 HD23 -0.03 0.01 -0.20 -0.04 0.89 0.63 1nd5B1 THR 1038 H -0.01 0.29 0.24 -0.55 8.28 8.25 1nd5B1 THR 1038 HA 0.05 0.30 0.87 -0.75 4.39 4.86 1nd5B1 THR 1038 HB 0.20 0.01 0.12 -0.04 4.32 4.61 1nd5B1 THR 1038 HG23 0.04 0.11 -0.24 -0.04 1.22 1.09 1nd5B1 GLN 1039 H 0.07 0.25 0.14 -0.55 8.47 8.39 1nd5B1 GLN 1039 HA 0.00 0.14 0.39 -0.75 4.36 4.14 1nd5B1 GLN 1039 HB2 0.01 -0.00 0.06 -0.04 2.15 2.18 1nd5B1 GLN 1039 HB3 -0.01 0.09 0.06 -0.04 2.02 2.12 1nd5B1 GLN 1039 HG2 0.04 -0.08 0.17 -0.04 2.40 2.49 1nd5B1 GLN 1039 HG3 0.02 0.07 0.08 -0.04 2.39 2.51 1nd5B1 GLN 1039 HE21 -0.01 0.03 0.01 -0.04 6.97 6.95 1nd5B1 GLN 1039 HE22 -0.01 0.02 0.02 -0.04 7.69 7.68 1nd5B1 LEU 1040 H 0.06 0.14 -0.08 -0.55 8.37 7.95 1nd5B1 LEU 1040 HA 0.02 0.12 0.33 -0.75 4.35 4.06 1nd5B1 LEU 1040 HB2 -0.02 0.08 0.08 -0.04 1.64 1.73 1nd5B1 LEU 1040 HB3 0.10 -0.04 0.01 -0.04 1.64 1.67 1nd5B1 LEU 1040 HG 0.05 -0.06 -0.17 -0.04 1.64 1.41 1nd5B1 LEU 1040 HD13 -0.00 0.02 0.01 -0.04 0.93 0.92 1nd5B1 LEU 1040 HD23 0.01 0.03 -0.05 -0.04 0.89 0.84 1nd5B1 GLY 1041 H 0.05 -0.04 -0.51 -0.55 8.43 7.37 1nd5B1 GLY 1041 HA2 -0.00 -0.20 0.40 -0.51 4.01 3.70 1nd5B1 GLY 1041 HA3 -0.01 0.12 0.30 -0.51 4.01 3.91 1nd5B1 MET 1042 H 0.03 0.60 -0.17 -0.55 8.47 8.38 1nd5B1 MET 1042 HA 0.07 -0.01 0.47 -0.75 4.52 4.29 1nd5B1 MET 1042 HB2 -0.00 0.12 0.17 -0.04 2.15 2.40 1nd5B1 MET 1042 HB3 0.01 -0.00 0.02 -0.04 2.03 2.02 1nd5B1 MET 1042 HG2 0.00 -0.04 -0.07 -0.04 2.63 2.48 1nd5B1 MET 1042 HG3 0.01 0.23 -0.03 -0.04 2.56 2.72 1nd5B1 MET 1042 HE3 -0.00 -0.02 -0.39 -0.04 2.10 1.65 1nd5B1 GLU 1043 H 0.04 0.59 -0.01 -0.55 8.60 8.66 1nd5B1 GLU 1043 HA 0.08 0.06 0.37 -0.75 4.29 4.05 1nd5B1 GLU 1043 HB2 0.03 0.05 0.10 -0.04 2.09 2.24 1nd5B1 GLU 1043 HB3 0.04 -0.00 0.01 -0.04 1.99 1.99 1nd5B1 GLU 1043 HG2 -0.01 0.02 -0.01 -0.04 2.34 2.29 1nd5B1 GLU 1043 HG3 -0.00 0.11 -0.08 -0.04 2.34 2.32 1nd5B1 GLN 1044 H 0.07 0.45 -0.32 -0.55 8.47 8.12 1nd5B1 GLN 1044 HA 0.03 0.06 0.46 -0.75 4.36 4.17 1nd5B1 GLN 1044 HB2 0.08 0.13 0.25 -0.04 2.15 2.57 1nd5B1 GLN 1044 HB3 0.06 0.00 -0.01 -0.04 2.02 2.04 1nd5B1 GLN 1044 HG2 0.07 0.04 -0.02 -0.04 2.40 2.44 1nd5B1 GLN 1044 HG3 0.06 0.02 0.00 -0.04 2.39 2.44 1nd5B1 GLN 1044 HE21 0.14 -0.05 -0.04 -0.04 6.97 6.97 1nd5B1 GLN 1044 HE22 0.09 0.06 -0.05 -0.04 7.69 7.75 1nd5B1 HIS 1045 H 0.17 0.42 0.07 -0.55 8.41 8.53 1nd5B1 HIS 1045 HA -0.08 0.04 0.43 -0.75 4.63 4.26 1nd5B1 HIS 1045 HB2 -0.02 0.04 0.18 -0.04 3.26 3.43 1nd5B1 HIS 1045 HB3 -0.05 0.09 -0.06 -0.04 3.20 3.14 1nd5B1 HIS 1045 HD2 -0.02 -0.08 0.02 -0.04 6.97 6.85 1nd5B1 HIS 1045 HE1 -1.77 0.00 -0.22 -0.04 7.75 5.72 1nd5B1 TYR 1046 H 0.20 0.49 -0.42 -0.55 8.29 8.01 1nd5B1 TYR 1046 HA 0.04 0.18 0.37 -0.75 4.56 4.39 1nd5B1 TYR 1046 HB2 0.03 0.03 0.05 -0.04 3.06 3.13 1nd5B1 TYR 1046 HB3 0.02 0.00 0.06 -0.04 2.98 3.03 1nd5B1 TYR 1046 HD2 0.04 0.05 -0.09 -0.04 7.15 7.11 1nd5B1 TYR 1046 HE2 0.05 0.05 -0.13 -0.04 6.85 6.78 1nd5B1 GLU 1047 H 0.07 0.37 -0.38 -0.55 8.60 8.11 1nd5B1 GLU 1047 HA -0.07 0.09 0.60 -0.75 4.29 4.16 1nd5B1 GLU 1047 HB2 0.06 0.05 0.12 -0.04 2.09 2.28 1nd5B1 GLU 1047 HB3 -0.00 0.11 0.19 -0.04 1.99 2.25 1nd5B1 GLU 1047 HG2 -0.01 -0.02 0.04 -0.04 2.34 2.31 1nd5B1 GLU 1047 HG3 0.00 -0.04 -0.00 -0.04 2.34 2.25 1nd5B1 LEU 1048 H -0.09 0.46 0.02 -0.55 8.37 8.20 1nd5B1 LEU 1048 HA -0.04 0.04 0.38 -0.75 4.35 3.98 1nd5B1 LEU 1048 HB2 -0.28 0.06 0.11 -0.04 1.64 1.50 1nd5B1 LEU 1048 HB3 -0.29 0.02 0.11 -0.04 1.64 1.44 1nd5B1 LEU 1048 HG -0.13 0.09 0.02 -0.04 1.64 1.58 1nd5B1 LEU 1048 HD13 -0.40 -0.02 -0.09 -0.04 0.93 0.38 1nd5B1 LEU 1048 HD23 0.07 -0.02 -0.10 -0.04 0.89 0.80 1nd5B1 GLY 1049 H -0.10 0.57 -0.15 -0.55 8.43 8.20 1nd5B1 GLY 1049 HA2 -0.06 -0.05 0.36 -0.51 4.01 3.75 1nd5B1 GLY 1049 HA3 -0.10 0.20 0.31 -0.51 4.01 3.91 1nd5B1 GLU 1050 H -0.17 0.28 -0.52 -0.55 8.60 7.64 1nd5B1 GLU 1050 HA -0.17 0.16 0.33 -0.75 4.29 3.86 1nd5B1 GLU 1050 HB2 -0.32 0.24 0.21 -0.04 2.09 2.19 1nd5B1 GLU 1050 HB3 -0.09 0.02 0.07 -0.04 1.99 1.94 1nd5B1 GLU 1050 HG2 -0.07 -0.07 0.07 -0.04 2.34 2.23 1nd5B1 GLU 1050 HG3 -0.15 0.08 0.09 -0.04 2.34 2.33 1nd5B1 TYR 1051 H 0.02 0.39 -0.61 -0.55 8.29 7.54 1nd5B1 TYR 1051 HA -0.10 0.08 0.73 -0.75 4.56 4.52 1nd5B1 TYR 1051 HB2 -0.09 -0.01 0.07 -0.04 3.06 2.99 1nd5B1 TYR 1051 HB3 -0.10 0.21 0.24 -0.04 2.98 3.28 1nd5B1 TYR 1051 HD2 -0.09 0.02 -0.02 -0.04 7.15 7.02 1nd5B1 TYR 1051 HE2 -0.09 -0.02 -0.03 -0.04 6.85 6.67 1nd5B1 ILE 1052 H -0.08 0.59 0.14 -0.55 8.25 8.36 1nd5B1 ILE 1052 HA -0.57 -0.00 0.39 -0.75 4.18 3.24 1nd5B1 ILE 1052 HB -0.07 0.07 0.10 -0.04 1.89 1.95 1nd5B1 ILE 1052 HG12 -0.02 -0.03 -0.04 -0.04 1.49 1.35 1nd5B1 ILE 1052 HG13 0.05 0.12 -0.02 -0.04 1.21 1.33 1nd5B1 ILE 1052 HG23 0.07 -0.01 -0.17 -0.04 0.93 0.77 1nd5B1 ILE 1052 HD13 0.15 -0.02 -0.13 -0.04 0.88 0.83 1nd5B1 ARG 1053 H -0.19 0.45 -0.43 -0.55 8.46 7.74 1nd5B1 ARG 1053 HA -0.13 0.04 0.32 -0.75 4.34 3.81 1nd5B1 ARG 1053 HB2 -0.19 0.14 0.11 -0.04 1.90 1.92 1nd5B1 ARG 1053 HB3 -0.13 0.03 -0.01 -0.04 1.80 1.64 1nd5B1 ARG 1053 HG2 -0.08 -0.14 -0.05 -0.04 1.67 1.36 1nd5B1 ARG 1053 HG3 -0.19 0.12 0.09 -0.04 1.67 1.65 1nd5B1 ARG 1053 HD2 -0.04 -0.08 0.03 -0.04 3.22 3.08 1nd5B1 ARG 1053 HD3 -0.10 0.28 0.11 -0.04 3.22 3.46 1nd5B1 LYS 1054 H -0.21 0.24 -0.33 -0.55 8.42 7.56 1nd5B1 LYS 1054 HA -0.10 0.05 0.47 -0.75 4.32 3.99 1nd5B1 LYS 1054 HB2 -0.19 0.09 0.17 -0.04 1.87 1.91 1nd5B1 LYS 1054 HB3 -0.09 -0.07 0.04 -0.04 1.79 1.62 1nd5B1 LYS 1054 HG2 -0.05 -0.06 0.06 -0.04 1.46 1.37 1nd5B1 LYS 1054 HG3 -0.07 0.34 0.20 -0.04 1.46 1.89 1nd5B1 LYS 1054 HD2 0.05 -0.02 0.08 -0.04 1.69 1.75 1nd5B1 LYS 1054 HD3 0.00 -0.08 0.03 -0.04 1.68 1.59 1nd5B1 LYS 1054 HE2 -0.00 -0.06 0.03 -0.04 2.99 2.91 1nd5B1 LYS 1054 HE3 -0.00 0.20 0.03 -0.04 2.99 3.17 1nd5B1 ARG 1055 H -0.61 0.69 -0.07 -0.55 8.46 7.91 1nd5B1 ARG 1055 HA -0.33 0.01 0.38 -0.75 4.34 3.65 1nd5B1 ARG 1055 HB2 -1.03 -0.01 0.06 -0.04 1.90 0.88 1nd5B1 ARG 1055 HB3 -1.12 0.07 0.05 -0.04 1.80 0.76 1nd5B1 ARG 1055 HG2 -0.83 0.00 -0.15 -0.04 1.67 0.65 1nd5B1 ARG 1055 HG3 -0.33 -0.03 0.06 -0.04 1.67 1.33 1nd5B1 ARG 1055 HD2 -0.51 -0.00 -0.06 -0.04 3.22 2.61 1nd5B1 ARG 1055 HD3 -0.32 -0.03 -0.08 -0.04 3.22 2.75 1nd5B1 TYR 1056 H -0.22 0.32 -0.75 -0.55 8.29 7.09 1nd5B1 TYR 1056 HA 0.01 0.13 0.90 -0.75 4.56 4.84 1nd5B1 TYR 1056 HB2 -0.00 0.18 0.00 -0.04 3.06 3.20 1nd5B1 TYR 1056 HB3 0.17 -0.19 0.12 -0.04 2.98 3.04 1nd5B1 TYR 1056 HD2 -0.04 0.07 -0.11 -0.04 7.15 7.03 1nd5B1 TYR 1056 HE2 -0.08 -0.04 -0.11 -0.04 6.85 6.58 1nd5B1 ARG 1057 H -0.01 0.39 -0.21 -0.55 8.46 8.09 1nd5B1 ARG 1057 HA 0.03 0.12 0.26 -0.75 4.34 4.00 1nd5B1 ARG 1057 HB2 0.01 -0.05 0.07 -0.04 1.90 1.89 1nd5B1 ARG 1057 HB3 -0.02 0.10 0.21 -0.04 1.80 2.06 1nd5B1 ARG 1057 HG2 0.02 0.03 -0.01 -0.04 1.67 1.67 1nd5B1 ARG 1057 HG3 0.04 -0.00 -0.33 -0.04 1.67 1.34 1nd5B1 ARG 1057 HD2 -0.00 0.02 0.02 -0.04 3.22 3.21 1nd5B1 ARG 1057 HD3 0.01 -0.05 -0.04 -0.04 3.22 3.10 1nd5B1 LYS 1058 H 0.11 0.00 -0.58 -0.55 8.42 7.40 1nd5B1 LYS 1058 HA 0.07 0.19 0.85 -0.75 4.32 4.68 1nd5B1 LYS 1058 HB2 0.10 -0.01 0.02 -0.04 1.87 1.95 1nd5B1 LYS 1058 HB3 0.10 0.01 -0.02 -0.04 1.79 1.84 1nd5B1 LYS 1058 HG2 0.05 0.03 -0.04 -0.04 1.46 1.46 1nd5B1 LYS 1058 HG3 0.05 -0.03 -0.12 -0.04 1.46 1.32 1nd5B1 LYS 1058 HD2 0.05 0.01 -0.02 -0.04 1.69 1.69 1nd5B1 LYS 1058 HD3 0.06 0.00 -0.01 -0.04 1.68 1.69 1nd5B1 LYS 1058 HE2 0.03 -0.00 -0.02 -0.04 2.99 2.96 1nd5B1 LYS 1058 HE3 0.03 -0.00 -0.03 -0.04 2.99 2.94 1nd5B1 PHE 1059 H 0.28 0.08 -0.02 -0.55 8.34 8.13 1nd5B1 PHE 1059 HA 0.02 0.08 0.48 -0.75 4.62 4.44 1nd5B1 PHE 1059 HB2 0.00 -0.05 0.12 -0.04 3.15 3.17 1nd5B1 PHE 1059 HB3 -0.02 0.01 0.13 -0.04 3.06 3.13 1nd5B1 PHE 1059 HD2 -0.16 -0.04 -0.06 -0.04 7.28 6.98 1nd5B1 PHE 1059 HE2 -0.11 0.15 -0.23 -0.04 7.38 7.14 1nd5B1 PHE 1059 HZ -0.02 0.43 -0.31 -0.04 7.32 7.39 1nd5B1 LEU 1060 H 0.18 0.51 -0.14 -0.55 8.37 8.37 1nd5B1 LEU 1060 HA -0.10 0.16 0.69 -0.75 4.35 4.35 1nd5B1 LEU 1060 HB2 0.15 0.10 0.00 -0.04 1.64 1.84 1nd5B1 LEU 1060 HB3 0.27 -0.02 0.11 -0.04 1.64 1.96 1nd5B1 LEU 1060 HG 0.24 -0.04 -0.09 -0.04 1.64 1.71 1nd5B1 LEU 1060 HD13 -0.07 0.01 -0.17 -0.04 0.93 0.66 1nd5B1 LEU 1060 HD23 0.29 -0.03 -0.13 -0.04 0.89 0.97 1nd5B1 ASN 1061 H 0.00 0.38 -0.67 -0.55 8.53 7.70 1nd5B1 ASN 1061 HA 0.05 0.15 0.31 -0.75 4.76 4.52 1nd5B1 ASN 1061 HB2 0.03 -0.08 0.19 -0.04 2.88 2.97 1nd5B1 ASN 1061 HB3 0.04 0.14 0.14 -0.04 2.79 3.07 1nd5B1 ASN 1061 HD21 -0.00 -0.06 -0.01 -0.04 7.03 6.92 1nd5B1 ASN 1061 HD22 0.01 -0.05 0.08 -0.04 7.74 7.74 1nd5B1 GLU 1062 H 0.05 0.27 -1.49 -0.55 8.60 6.89 1nd5B1 GLU 1062 HA 0.01 0.10 0.80 -0.75 4.29 4.44 1nd5B1 GLU 1062 HB2 -0.06 -0.05 -0.04 -0.04 2.09 1.90 1nd5B1 GLU 1062 HB3 -0.07 0.04 -0.13 -0.04 1.99 1.78 1nd5B1 GLU 1062 HG2 -0.05 -0.03 -0.37 -0.04 2.34 1.85 1nd5B1 GLU 1062 HG3 -0.07 -0.03 -0.11 -0.04 2.34 2.08 1nd5B1 SER 1063 H 0.07 0.11 -0.00 -0.55 8.46 8.09 1nd5B1 SER 1063 HA 0.35 0.04 0.37 -0.75 4.49 4.50 1nd5B1 SER 1063 HB2 0.10 -0.04 0.13 -0.04 3.95 4.10 1nd5B1 SER 1063 HB3 0.08 -0.05 0.17 -0.04 3.93 4.09 1nd5B1 TYR 1064 H -0.25 0.10 0.27 -0.55 8.29 7.86 1nd5B1 TYR 1064 HA -0.89 -0.05 0.41 -0.75 4.56 3.28 1nd5B1 TYR 1064 HB2 -0.72 0.04 -0.02 -0.04 3.06 2.32 1nd5B1 TYR 1064 HB3 -0.26 0.09 -0.16 -0.04 2.98 2.61 1nd5B1 TYR 1064 HD2 -0.50 0.05 -0.03 -0.04 7.15 6.63 1nd5B1 TYR 1064 HE2 -0.10 0.03 -0.04 -0.04 6.85 6.70 1nd5B1 LYS 1065 H -1.50 0.13 0.04 -0.55 8.42 6.53 1nd5B1 LYS 1065 HA -0.64 0.08 0.52 -0.75 4.32 3.53 1nd5B1 LYS 1065 HB2 -0.36 -0.03 -0.04 -0.04 1.87 1.40 1nd5B1 LYS 1065 HB3 -0.40 -0.13 0.06 -0.04 1.79 1.29 1nd5B1 LYS 1065 HG2 -0.25 -0.07 0.14 -0.04 1.46 1.24 1nd5B1 LYS 1065 HG3 -0.25 0.79 -0.07 -0.04 1.46 1.89 1nd5B1 LYS 1065 HD2 -0.16 0.01 -0.15 -0.04 1.69 1.35 1nd5B1 LYS 1065 HD3 -0.19 -0.07 -0.04 -0.04 1.68 1.34 1nd5B1 LYS 1065 HE2 -0.09 0.09 -0.06 -0.04 2.99 2.88 1nd5B1 LYS 1065 HE3 -0.09 -0.02 -0.04 -0.04 2.99 2.79 1nd5B1 HIS 1066 H -0.45 0.21 0.16 -0.55 8.41 7.79 1nd5B1 HIS 1066 HA -0.16 0.17 0.43 -0.75 4.63 4.32 1nd5B1 HIS 1066 HB2 0.02 0.04 0.15 -0.04 3.26 3.43 1nd5B1 HIS 1066 HB3 -0.02 0.00 0.18 -0.04 3.20 3.32 1nd5B1 HIS 1066 HD2 -0.10 0.02 0.07 -0.04 6.97 6.92 1nd5B1 HIS 1066 HE1 -0.05 0.01 -0.05 -0.04 7.75 7.62 1nd5B1 GLU 1067 H -0.59 -0.07 -0.66 -0.55 8.60 6.73 1nd5B1 GLU 1067 HA -0.12 0.16 0.64 -0.75 4.29 4.21 1nd5B1 GLU 1067 HB2 -0.17 0.10 0.02 -0.04 2.09 2.00 1nd5B1 GLU 1067 HB3 -0.35 -0.07 -0.00 -0.04 1.99 1.53 1nd5B1 GLU 1067 HG2 -0.25 0.07 -0.15 -0.04 2.34 1.98 1nd5B1 GLU 1067 HG3 -0.21 0.03 -0.06 -0.04 2.34 2.06 1nd5B1 GLN 1068 H -0.27 0.31 0.06 -0.55 8.47 8.03 1nd5B1 GLN 1068 HA -0.09 0.23 0.78 -0.75 4.36 4.52 1nd5B1 GLN 1068 HB2 -0.19 -0.01 0.17 -0.04 2.15 2.07 1nd5B1 GLN 1068 HB3 -0.13 -0.04 0.07 -0.04 2.02 1.88 1nd5B1 GLN 1068 HG2 -0.15 0.07 -0.06 -0.04 2.40 2.23 1nd5B1 GLN 1068 HG3 -0.21 -0.08 -0.00 -0.04 2.39 2.06 1nd5B1 GLN 1068 HE21 -0.12 -0.00 -0.03 -0.04 6.97 6.77 1nd5B1 GLN 1068 HE22 -0.13 -0.03 -0.03 -0.04 7.69 7.47 1nd5B1 VAL 1069 H -0.15 0.36 0.16 -0.55 8.24 8.06 1nd5B1 VAL 1069 HA 0.07 0.37 1.19 -0.75 4.13 5.01 1nd5B1 VAL 1069 HB 0.12 -0.09 0.05 -0.04 2.12 2.16 1nd5B1 VAL 1069 HG13 0.20 0.00 -0.17 -0.04 0.97 0.96 1nd5B1 VAL 1069 HG23 0.16 -0.01 -0.05 -0.04 0.95 1.02 1nd5B1 TYR 1070 H 0.14 0.46 0.36 -0.55 8.29 8.69 1nd5B1 TYR 1070 HA 0.11 0.13 0.82 -0.75 4.56 4.87 1nd5B1 TYR 1070 HB2 -0.02 0.11 -0.14 -0.04 3.06 2.98 1nd5B1 TYR 1070 HB3 -0.05 -0.03 0.10 -0.04 2.98 2.96 1nd5B1 TYR 1070 HD2 -0.05 0.04 -0.07 -0.04 7.15 7.02 1nd5B1 TYR 1070 HE2 -0.39 -0.03 -0.07 -0.04 6.85 6.31 1nd5B1 ILE 1071 H -0.37 0.22 0.16 -0.55 8.25 7.72 1nd5B1 ILE 1071 HA -0.17 0.27 1.30 -0.75 4.18 4.83 1nd5B1 ILE 1071 HB -0.12 0.16 0.27 -0.04 1.89 2.15 1nd5B1 ILE 1071 HG12 0.07 0.00 -0.06 -0.04 1.49 1.46 1nd5B1 ILE 1071 HG13 0.02 -0.02 -0.19 -0.04 1.21 0.98 1nd5B1 ILE 1071 HG23 -0.02 -0.01 -0.17 -0.04 0.93 0.68 1nd5B1 ILE 1071 HD13 0.03 0.00 -0.14 -0.04 0.88 0.74 1nd5B1 ARG 1072 H -0.23 0.65 0.38 -0.55 8.46 8.71 1nd5B1 ARG 1072 HA -0.03 0.37 1.13 -0.75 4.34 5.06 1nd5B1 ARG 1072 HB2 0.16 -0.01 -0.06 -0.04 1.90 1.95 1nd5B1 ARG 1072 HB3 0.02 -0.02 0.07 -0.04 1.80 1.83 1nd5B1 ARG 1072 HG2 0.14 0.05 -0.05 -0.04 1.67 1.77 1nd5B1 ARG 1072 HG3 0.18 0.01 -0.06 -0.04 1.67 1.75 1nd5B1 ARG 1072 HD2 0.35 0.05 -0.10 -0.04 3.22 3.48 1nd5B1 ARG 1072 HD3 0.29 -0.11 -0.16 -0.04 3.22 3.20 1nd5B1 SER 1073 H 0.05 0.63 0.40 -0.55 8.46 9.00 1nd5B1 SER 1073 HA 0.07 0.12 0.96 -0.75 4.49 4.89 1nd5B1 SER 1073 HB2 0.04 0.01 -0.16 -0.04 3.95 3.79 1nd5B1 SER 1073 HB3 0.03 0.01 -0.05 -0.04 3.93 3.88 1nd5B1 THR 1074 H 0.10 0.39 0.32 -0.55 8.28 8.54 1nd5B1 THR 1074 HA 0.16 0.07 0.68 -0.75 4.39 4.54 1nd5B1 THR 1074 HB 0.42 -0.01 0.08 -0.04 4.32 4.78 1nd5B1 THR 1074 HG23 0.42 0.01 -0.03 -0.04 1.22 1.57 1nd5B1 ASP 1075 H 0.05 0.19 0.17 -0.55 8.40 8.27 1nd5B1 ASP 1075 HA 0.04 0.17 0.64 -0.75 4.63 4.72 1nd5B1 ASP 1075 HB2 0.01 0.21 0.02 -0.04 2.71 2.91 1nd5B1 ASP 1075 HB3 -0.03 -0.17 0.35 -0.04 2.70 2.80 1nd5B1 VAL 1076 H 0.07 0.55 -0.04 -0.55 8.24 8.27 1nd5B1 VAL 1076 HA 0.06 0.19 0.79 -0.75 4.13 4.41 1nd5B1 VAL 1076 HB 0.16 -0.10 0.01 -0.04 2.12 2.15 1nd5B1 VAL 1076 HG13 0.13 -0.00 0.01 -0.04 0.97 1.07 1nd5B1 VAL 1076 HG23 0.35 0.01 -0.29 -0.04 0.95 0.97 1nd5B1 ASP 1077 H 0.02 0.25 0.14 -0.55 8.40 8.26 1nd5B1 ASP 1077 HA 0.00 0.09 0.38 -0.75 4.63 4.34 1nd5B1 ASP 1077 HB2 -0.01 0.02 0.18 -0.04 2.71 2.86 1nd5B1 ASP 1077 HB3 -0.01 0.06 0.04 -0.04 2.70 2.75 1nd5B1 ARG 1078 H -0.04 0.22 0.01 -0.55 8.46 8.10 1nd5B1 ARG 1078 HA -0.08 0.00 0.41 -0.75 4.34 3.91 1nd5B1 ARG 1078 HB2 -0.19 0.01 0.08 -0.04 1.90 1.76 1nd5B1 ARG 1078 HB3 -0.14 0.10 0.18 -0.04 1.80 1.90 1nd5B1 ARG 1078 HG2 -0.37 -0.05 -0.33 -0.04 1.67 0.88 1nd5B1 ARG 1078 HG3 -0.61 0.00 -0.16 -0.04 1.67 0.86 1nd5B1 ARG 1078 HD2 -1.84 -0.05 -0.10 -0.04 3.22 1.19 1nd5B1 ARG 1078 HD3 -0.61 0.05 -0.16 -0.04 3.22 2.46 1nd5B1 THR 1079 H -0.00 0.08 -0.43 -0.55 8.28 7.39 1nd5B1 THR 1079 HA 0.05 0.06 0.54 -0.75 4.39 4.28 1nd5B1 THR 1079 HB 0.02 0.14 0.02 -0.04 4.32 4.46 1nd5B1 THR 1079 HG23 -0.10 -0.03 -0.04 -0.04 1.22 1.01 1nd5B1 LEU 1080 H 0.02 0.60 0.17 -0.55 8.37 8.61 1nd5B1 LEU 1080 HA 0.03 0.02 0.36 -0.75 4.35 4.01 1nd5B1 LEU 1080 HB2 0.01 0.02 0.17 -0.04 1.64 1.80 1nd5B1 LEU 1080 HB3 0.01 0.00 -0.00 -0.04 1.64 1.61 1nd5B1 LEU 1080 HG 0.03 0.05 0.16 -0.04 1.64 1.84 1nd5B1 LEU 1080 HD13 0.01 -0.04 -0.13 -0.04 0.93 0.74 1nd5B1 LEU 1080 HD23 0.01 -0.01 -0.06 -0.04 0.89 0.80 1nd5B1 MET 1081 H -0.01 0.85 -0.15 -0.55 8.47 8.62 1nd5B1 MET 1081 HA -0.00 0.03 0.38 -0.75 4.52 4.18 1nd5B1 MET 1081 HB2 -0.03 0.01 0.03 -0.04 2.15 2.12 1nd5B1 MET 1081 HB3 -0.02 -0.03 -0.02 -0.04 2.03 1.92 1nd5B1 MET 1081 HG2 -0.01 -0.03 -0.01 -0.04 2.63 2.53 1nd5B1 MET 1081 HG3 -0.02 0.30 -0.00 -0.04 2.56 2.79 1nd5B1 MET 1081 HE3 -0.03 -0.00 -0.09 -0.04 2.10 1.94 1nd5B1 SER 1082 H -0.06 0.43 -0.20 -0.55 8.46 8.08 1nd5B1 SER 1082 HA -0.18 -0.02 0.42 -0.75 4.49 3.95 1nd5B1 SER 1082 HB2 -0.25 0.13 0.23 -0.04 3.95 4.03 1nd5B1 SER 1082 HB3 -1.49 -0.03 0.06 -0.04 3.93 2.44 1nd5B1 ALA 1083 H 0.01 0.53 -0.08 -0.55 8.40 8.32 1nd5B1 ALA 1083 HA 0.23 -0.01 0.32 -0.75 4.34 4.12 1nd5B1 ALA 1083 HB3 0.12 0.05 0.02 -0.04 1.41 1.56 1nd5B1 MET 1084 H 0.05 0.44 -0.24 -0.55 8.47 8.17 1nd5B1 MET 1084 HA 0.12 0.06 0.40 -0.75 4.52 4.34 1nd5B1 MET 1084 HB2 0.06 0.05 0.13 -0.04 2.15 2.35 1nd5B1 MET 1084 HB3 0.13 -0.02 0.01 -0.04 2.03 2.10 1nd5B1 MET 1084 HG2 0.05 -0.03 0.00 -0.04 2.63 2.62 1nd5B1 MET 1084 HG3 0.03 0.39 0.07 -0.04 2.56 3.01 1nd5B1 MET 1084 HE3 0.01 -0.03 -0.06 -0.04 2.10 1.97 1nd5B1 THR 1085 H 0.06 0.61 -0.02 -0.55 8.28 8.38 1nd5B1 THR 1085 HA 0.16 0.01 0.32 -0.75 4.39 4.12 1nd5B1 THR 1085 HB 0.11 0.03 0.01 -0.04 4.32 4.43 1nd5B1 THR 1085 HG23 0.15 -0.04 0.02 -0.04 1.22 1.32 1nd5B1 ASN 1086 H 0.10 0.60 -0.35 -0.55 8.53 8.33 1nd5B1 ASN 1086 HA 0.07 0.16 0.38 -0.75 4.76 4.62 1nd5B1 ASN 1086 HB2 0.14 0.06 0.05 -0.04 2.88 3.09 1nd5B1 ASN 1086 HB3 0.15 0.14 0.16 -0.04 2.79 3.20 1nd5B1 ASN 1086 HD21 -0.26 -0.04 -0.09 -0.04 7.03 6.61 1nd5B1 ASN 1086 HD22 -0.04 -0.03 -0.04 -0.04 7.74 7.60 1nd5B1 LEU 1087 H 0.13 0.67 0.04 -0.55 8.37 8.67 1nd5B1 LEU 1087 HA 0.12 -0.07 0.41 -0.75 4.35 4.05 1nd5B1 LEU 1087 HB2 0.12 0.12 0.08 -0.04 1.64 1.92 1nd5B1 LEU 1087 HB3 0.14 -0.02 0.05 -0.04 1.64 1.77 1nd5B1 LEU 1087 HG 0.14 0.21 0.08 -0.04 1.64 2.03 1nd5B1 LEU 1087 HD13 -0.01 -0.02 -0.12 -0.04 0.93 0.74 1nd5B1 LEU 1087 HD23 0.22 -0.03 -0.04 -0.04 0.89 0.99 1nd5B1 ALA 1088 H 0.20 0.41 -0.53 -0.55 8.40 7.93 1nd5B1 ALA 1088 HA 0.29 0.03 0.33 -0.75 4.34 4.24 1nd5B1 ALA 1088 HB3 0.39 0.03 0.05 -0.04 1.41 1.84 1nd5B1 ALA 1089 H 0.04 0.39 -0.50 -0.55 8.40 7.79 1nd5B1 ALA 1089 HA -0.25 0.10 0.68 -0.75 4.34 4.11 1nd5B1 ALA 1089 HB3 -0.49 -0.05 0.13 -0.04 1.41 0.96 1nd5B1 LEU 1090 H -0.08 0.53 0.13 -0.55 8.37 8.41 1nd5B1 LEU 1090 HA -0.26 0.09 0.30 -0.75 4.35 3.73 1nd5B1 LEU 1090 HB2 -0.12 -0.02 0.02 -0.04 1.64 1.48 1nd5B1 LEU 1090 HB3 -0.45 -0.02 0.06 -0.04 1.64 1.19 1nd5B1 LEU 1090 HG -0.20 -0.04 -0.04 -0.04 1.64 1.32 1nd5B1 LEU 1090 HD13 -0.07 -0.03 -0.11 -0.04 0.93 0.69 1nd5B1 LEU 1090 HD23 -0.90 0.01 -0.14 -0.04 0.89 -0.17 1nd5B1 PHE 1091 H 0.05 0.48 -0.07 -0.55 8.34 8.25 1nd5B1 PHE 1091 HA 0.03 0.24 0.94 -0.75 4.62 5.08 1nd5B1 PHE 1091 HB2 -0.03 0.02 0.13 -0.04 3.15 3.23 1nd5B1 PHE 1091 HB3 0.05 -0.03 -0.00 -0.04 3.06 3.03 1nd5B1 PHE 1091 HD2 0.04 0.04 0.02 -0.04 7.28 7.34 1nd5B1 PHE 1091 HE2 0.09 0.07 -0.03 -0.04 7.38 7.46 1nd5B1 PHE 1091 HZ 0.09 -0.02 -0.05 -0.04 7.32 7.31 1nd5B1 PRO 1092 HA 0.12 0.13 0.51 -0.51 4.44 4.69 1nd5B1 PRO 1092 HB2 0.08 -0.02 -0.02 -0.04 2.28 2.27 1nd5B1 PRO 1092 HB3 0.09 0.11 0.09 -0.04 2.02 2.26 1nd5B1 PRO 1092 HG2 0.05 -0.10 0.05 -0.04 2.03 1.99 1nd5B1 PRO 1092 HG3 0.02 -0.01 0.03 -0.04 2.03 2.03 1nd5B1 PRO 1092 HD2 0.02 0.15 0.09 -0.04 3.68 3.90 1nd5B1 PRO 1092 HD3 -0.02 0.48 -0.47 -0.04 3.65 3.60 1nd5B1 PRO 1093 HA 0.07 0.01 0.43 -0.51 4.44 4.44 1nd5B1 PRO 1093 HB2 0.07 0.06 0.00 -0.04 2.28 2.37 1nd5B1 PRO 1093 HB3 0.06 -0.03 -0.02 -0.04 2.02 1.99 1nd5B1 PRO 1093 HG2 0.07 -0.04 -0.16 -0.04 2.03 1.86 1nd5B1 PRO 1093 HG3 0.11 -0.09 -0.49 -0.04 2.03 1.52 1nd5B1 PRO 1093 HD2 0.13 0.32 0.10 -0.04 3.68 4.19 1nd5B1 PRO 1093 HD3 0.05 0.05 0.16 -0.04 3.65 3.87 1nd5B1 GLU 1094 H 0.06 0.24 0.17 -0.55 8.60 8.52 1nd5B1 GLU 1094 HA 0.03 0.11 0.43 -0.75 4.29 4.10 1nd5B1 GLU 1094 HB2 0.03 -0.13 0.09 -0.04 2.09 2.04 1nd5B1 GLU 1094 HB3 0.04 0.19 -0.25 -0.04 1.99 1.93 1nd5B1 GLU 1094 HG2 0.06 0.14 -0.06 -0.04 2.34 2.44 1nd5B1 GLU 1094 HG3 0.04 -0.10 -0.26 -0.04 2.34 1.98 1nd5B1 GLY 1095 H 0.02 0.15 0.07 -0.55 8.43 8.13 1nd5B1 GLY 1095 HA2 0.01 0.04 0.31 -0.51 4.01 3.87 1nd5B1 GLY 1095 HA3 0.02 0.05 0.48 -0.51 4.01 4.04 1nd5B1 VAL 1096 H 0.02 0.17 0.20 -0.55 8.24 8.08 1nd5B1 VAL 1096 HA 0.02 0.09 0.44 -0.75 4.13 3.92 1nd5B1 VAL 1096 HB 0.02 0.05 0.07 -0.04 2.12 2.22 1nd5B1 VAL 1096 HG13 0.02 -0.00 0.05 -0.04 0.97 1.00 1nd5B1 VAL 1096 HG23 0.01 -0.00 0.06 -0.04 0.95 0.98 1nd5B1 SER 1097 H 0.04 0.32 -0.36 -0.55 8.46 7.92 1nd5B1 SER 1097 HA 0.07 0.14 0.78 -0.75 4.49 4.73 1nd5B1 SER 1097 HB2 0.06 0.00 0.16 -0.04 3.95 4.13 1nd5B1 SER 1097 HB3 0.04 -0.02 0.03 -0.04 3.93 3.95 1nd5B1 ILE 1098 H 0.05 0.30 -0.59 -0.55 8.25 7.47 1nd5B1 ILE 1098 HA 0.02 0.22 0.66 -0.75 4.18 4.32 1nd5B1 ILE 1098 HB -0.02 0.03 -0.09 -0.04 1.89 1.78 1nd5B1 ILE 1098 HG12 0.01 0.16 -0.65 -0.04 1.49 0.97 1nd5B1 ILE 1098 HG13 0.02 -0.09 -0.90 -0.04 1.21 0.20 1nd5B1 ILE 1098 HG23 -0.11 -0.01 -0.21 -0.04 0.93 0.56 1nd5B1 ILE 1098 HD13 -0.00 -0.03 -0.07 -0.04 0.88 0.73 1nd5B1 TRP 1099 H 0.38 0.19 -0.17 -0.55 7.97 7.81 1nd5B1 TRP 1099 HA 0.00 0.02 0.31 -0.75 4.62 4.19 1nd5B1 TRP 1099 HB2 0.01 -0.03 0.06 -0.04 3.23 3.23 1nd5B1 TRP 1099 HB3 -0.02 0.00 0.10 -0.04 3.23 3.28 1nd5B1 TRP 1099 HD1 -0.08 0.03 0.05 -0.04 7.22 7.18 1nd5B1 TRP 1099 HE1 -0.11 0.50 0.33 -0.04 10.20 10.89 1nd5B1 TRP 1099 HE3 0.04 -0.02 -0.14 -0.04 7.59 7.42 1nd5B1 TRP 1099 HZ2 0.48 0.02 -0.02 -0.04 7.44 7.87 1nd5B1 TRP 1099 HZ3 0.07 -0.04 -0.04 -0.04 7.13 7.08 1nd5B1 TRP 1099 HH2 0.18 -0.04 -0.02 -0.04 7.19 7.26 1nd5B1 ASN 1100 H -1.25 0.17 -0.45 -0.55 8.53 6.45 1nd5B1 ASN 1100 HA -0.49 0.18 0.93 -0.75 4.76 4.63 1nd5B1 ASN 1100 HB2 -2.12 0.02 -0.04 -0.04 2.88 0.70 1nd5B1 ASN 1100 HB3 -2.32 0.13 0.15 -0.04 2.79 0.71 1nd5B1 ASN 1100 HD21 -0.18 -0.01 -0.03 -0.04 7.03 6.77 1nd5B1 ASN 1100 HD22 -0.45 0.11 0.04 -0.04 7.74 7.39 1nd5B1 PRO 1101 HA -0.13 0.17 0.45 -0.51 4.44 4.42 1nd5B1 PRO 1101 HB2 -0.08 -0.02 -0.03 -0.04 2.28 2.12 1nd5B1 PRO 1101 HB3 -0.07 0.03 0.08 -0.04 2.02 2.02 1nd5B1 PRO 1101 HG2 -0.07 -0.01 0.04 -0.04 2.03 1.95 1nd5B1 PRO 1101 HG3 -0.09 0.14 -0.02 -0.04 2.03 2.02 1nd5B1 PRO 1101 HD2 -0.15 0.02 0.18 -0.04 3.68 3.69 1nd5B1 PRO 1101 HD3 -0.19 0.30 0.21 -0.04 3.65 3.92 1nd5B1 ILE 1102 H -0.21 0.02 -0.29 -0.55 8.25 7.22 1nd5B1 ILE 1102 HA -0.06 0.18 0.74 -0.75 4.18 4.28 1nd5B1 ILE 1102 HB -0.11 -0.02 0.03 -0.04 1.89 1.75 1nd5B1 ILE 1102 HG12 -0.08 -0.03 -0.07 -0.04 1.49 1.27 1nd5B1 ILE 1102 HG13 -0.05 -0.01 -0.01 -0.04 1.21 1.10 1nd5B1 ILE 1102 HG23 -0.04 -0.00 -0.08 -0.04 0.93 0.77 1nd5B1 ILE 1102 HD13 -0.04 0.03 -0.07 -0.04 0.88 0.76 1nd5B1 LEU 1103 H -0.21 0.13 -0.19 -0.55 8.37 7.56 1nd5B1 LEU 1103 HA 0.01 0.14 0.81 -0.75 4.35 4.56 1nd5B1 LEU 1103 HB2 0.01 -0.03 -0.09 -0.04 1.64 1.48 1nd5B1 LEU 1103 HB3 -0.03 0.00 0.13 -0.04 1.64 1.70 1nd5B1 LEU 1103 HG 0.31 0.02 -0.20 -0.04 1.64 1.73 1nd5B1 LEU 1103 HD13 0.01 0.00 -0.04 -0.04 0.93 0.86 1nd5B1 LEU 1103 HD23 0.32 -0.00 -0.06 -0.04 0.89 1.11 1nd5B1 LEU 1104 H 0.06 0.15 -0.01 -0.55 8.37 8.02 1nd5B1 LEU 1104 HA 0.03 0.23 0.69 -0.75 4.35 4.54 1nd5B1 LEU 1104 HB2 0.07 -0.06 0.17 -0.04 1.64 1.78 1nd5B1 LEU 1104 HB3 0.07 0.11 0.18 -0.04 1.64 1.97 1nd5B1 LEU 1104 HG -0.00 -0.05 -0.16 -0.04 1.64 1.38 1nd5B1 LEU 1104 HD13 0.02 -0.01 -0.00 -0.04 0.93 0.90 1nd5B1 LEU 1104 HD23 -0.02 0.07 -0.09 -0.04 0.89 0.80 1nd5B1 TRP 1105 H 0.29 0.54 -0.18 -0.55 7.97 8.07 1nd5B1 TRP 1105 HA 0.13 0.22 0.76 -0.75 4.62 4.99 1nd5B1 TRP 1105 HB2 0.10 0.04 -0.15 -0.04 3.23 3.18 1nd5B1 TRP 1105 HB3 0.15 -0.10 -0.13 -0.04 3.23 3.11 1nd5B1 TRP 1105 HD1 0.10 0.06 -0.00 -0.04 7.22 7.34 1nd5B1 TRP 1105 HE1 0.04 -0.01 -0.10 -0.04 10.20 10.09 1nd5B1 TRP 1105 HE3 0.46 0.00 -0.20 -0.04 7.59 7.80 1nd5B1 TRP 1105 HZ2 -0.01 -0.03 -0.10 -0.04 7.44 7.26 1nd5B1 TRP 1105 HZ3 0.12 -0.03 -0.09 -0.04 7.13 7.09 1nd5B1 TRP 1105 HH2 -0.05 -0.04 -0.07 -0.04 7.19 6.99 1nd5B1 GLN 1106 H -0.75 0.34 0.16 -0.55 8.47 7.68 1nd5B1 GLN 1106 HA -0.40 0.11 0.81 -0.75 4.36 4.13 1nd5B1 GLN 1106 HB2 -0.15 -0.03 0.06 -0.04 2.15 1.99 1nd5B1 GLN 1106 HB3 -0.02 0.03 -0.10 -0.04 2.02 1.88 1nd5B1 GLN 1106 HG2 -0.20 0.10 0.04 -0.04 2.40 2.29 1nd5B1 GLN 1106 HG3 -0.33 0.02 -0.38 -0.04 2.39 1.66 1nd5B1 GLN 1106 HE21 0.07 -0.03 -0.21 -0.04 6.97 6.76 1nd5B1 GLN 1106 HE22 0.05 0.38 -0.16 -0.04 7.69 7.92 1nd5B1 PRO 1107 HA -0.47 0.04 0.50 -0.51 4.44 3.99 1nd5B1 PRO 1107 HB2 -0.18 0.01 -0.06 -0.04 2.28 2.01 1nd5B1 PRO 1107 HB3 -0.19 -0.01 0.05 -0.04 2.02 1.83 1nd5B1 PRO 1107 HG2 -0.36 0.04 0.09 -0.04 2.03 1.75 1nd5B1 PRO 1107 HG3 -0.44 0.00 0.05 -0.04 2.03 1.60 1nd5B1 PRO 1107 HD2 -0.63 0.10 0.19 -0.04 3.68 3.30 1nd5B1 PRO 1107 HD3 -1.01 0.11 0.14 -0.04 3.65 2.84 1nd5B1 ILE 1108 H -0.13 0.25 0.20 -0.55 8.25 8.01 1nd5B1 ILE 1108 HA -0.40 0.15 0.75 -0.75 4.18 3.92 1nd5B1 ILE 1108 HB -0.22 -0.04 0.04 -0.04 1.89 1.63 1nd5B1 ILE 1108 HG12 -0.93 0.00 -0.10 -0.04 1.49 0.42 1nd5B1 ILE 1108 HG13 -0.41 0.12 -0.55 -0.04 1.21 0.32 1nd5B1 ILE 1108 HG23 -0.63 0.01 -0.07 -0.04 0.93 0.20 1nd5B1 ILE 1108 HD13 -0.28 0.00 -0.06 -0.04 0.88 0.51 1nd5B1 PRO 1109 HA -0.17 0.04 0.57 -0.51 4.44 4.37 1nd5B1 PRO 1109 HB2 -0.50 0.01 -0.06 -0.04 2.28 1.70 1nd5B1 PRO 1109 HB3 -0.14 0.01 0.05 -0.04 2.02 1.90 1nd5B1 PRO 1109 HG2 -0.02 0.02 0.11 -0.04 2.03 2.10 1nd5B1 PRO 1109 HG3 0.08 0.04 0.08 -0.04 2.03 2.18 1nd5B1 PRO 1109 HD2 -0.20 0.11 0.21 -0.04 3.68 3.76 1nd5B1 PRO 1109 HD3 -0.08 0.15 0.10 -0.04 3.65 3.78 1nd5B1 VAL 1110 H -0.25 0.22 0.12 -0.55 8.24 7.78 1nd5B1 VAL 1110 HA -0.22 0.25 0.83 -0.75 4.13 4.24 1nd5B1 VAL 1110 HB -0.07 -0.07 0.12 -0.04 2.12 2.05 1nd5B1 VAL 1110 HG13 -0.03 -0.01 -0.21 -0.04 0.97 0.68 1nd5B1 VAL 1110 HG23 -0.03 0.03 -0.23 -0.04 0.95 0.68 1nd5B1 HIS 1111 H -0.25 0.70 0.33 -0.55 8.41 8.65 1nd5B1 HIS 1111 HA -0.03 0.06 0.77 -0.75 4.63 4.67 1nd5B1 HIS 1111 HB2 -0.10 -0.01 0.12 -0.04 3.26 3.23 1nd5B1 HIS 1111 HB3 0.05 0.02 0.10 -0.04 3.20 3.33 1nd5B1 HIS 1111 HD2 0.03 -0.00 0.01 -0.04 6.97 6.96 1nd5B1 HIS 1111 HE1 -0.05 0.06 0.01 -0.04 7.75 7.73 1nd5B1 THR 1112 H 0.07 0.17 0.22 -0.55 8.28 8.20 1nd5B1 THR 1112 HA 0.08 0.29 1.02 -0.75 4.39 5.02 1nd5B1 THR 1112 HB 0.03 0.05 -0.23 -0.04 4.32 4.14 1nd5B1 THR 1112 HG23 0.02 -0.01 -0.14 -0.04 1.22 1.06 1nd5B1 VAL 1113 H 0.05 0.23 0.15 -0.55 8.24 8.13 1nd5B1 VAL 1113 HA 0.04 0.21 0.73 -0.75 4.13 4.35 1nd5B1 VAL 1113 HB 0.07 -0.10 -0.02 -0.04 2.12 2.03 1nd5B1 VAL 1113 HG13 0.02 0.01 -0.26 -0.04 0.97 0.70 1nd5B1 VAL 1113 HG23 0.06 0.04 -0.17 -0.04 0.95 0.84 1nd5B1 PRO 1114 HA -0.03 0.03 0.57 -0.51 4.44 4.51 1nd5B1 PRO 1114 HB2 -0.02 -0.01 0.04 -0.04 2.28 2.25 1nd5B1 PRO 1114 HB3 -0.01 0.08 0.14 -0.04 2.02 2.19 1nd5B1 PRO 1114 HG2 -0.01 -0.04 0.10 -0.04 2.03 2.05 1nd5B1 PRO 1114 HG3 -0.00 0.11 0.08 -0.04 2.03 2.18 1nd5B1 PRO 1114 HD2 0.01 0.15 0.22 -0.04 3.68 4.02 1nd5B1 PRO 1114 HD3 0.01 0.17 0.15 -0.04 3.65 3.94 1nd5B1 LEU 1115 H -0.11 0.18 0.30 -0.55 8.37 8.19 1nd5B1 LEU 1115 HA -0.25 0.01 0.45 -0.75 4.35 3.81 1nd5B1 LEU 1115 HB2 -0.21 -0.04 0.21 -0.04 1.64 1.55 1nd5B1 LEU 1115 HB3 -0.62 0.08 0.06 -0.04 1.64 1.12 1nd5B1 LEU 1115 HG -0.18 0.05 0.24 -0.04 1.64 1.71 1nd5B1 LEU 1115 HD13 -0.30 0.02 0.06 -0.04 0.93 0.67 1nd5B1 LEU 1115 HD23 -0.61 -0.01 0.08 -0.04 0.89 0.31 1nd5B1 SER 1116 H -0.08 0.08 -0.05 -0.55 8.46 7.87 1nd5B1 SER 1116 HA -0.01 0.08 0.36 -0.75 4.49 4.17 1nd5B1 SER 1116 HB2 0.00 0.06 0.10 -0.04 3.95 4.07 1nd5B1 SER 1116 HB3 -0.02 -0.02 0.11 -0.04 3.93 3.96 1nd5B1 GLU 1117 H -0.03 0.38 -0.59 -0.55 8.60 7.81 1nd5B1 GLU 1117 HA -0.02 0.21 0.91 -0.75 4.29 4.64 1nd5B1 GLU 1117 HB2 -0.01 0.06 0.04 -0.04 2.09 2.14 1nd5B1 GLU 1117 HB3 -0.01 -0.03 0.03 -0.04 1.99 1.93 1nd5B1 GLU 1117 HG2 -0.01 0.03 -0.02 -0.04 2.34 2.31 1nd5B1 GLU 1117 HG3 -0.01 -0.07 -0.28 -0.04 2.34 1.95 1nd5B1 ASP 1118 H -0.01 0.32 0.04 -0.55 8.40 8.20 1nd5B1 ASP 1118 HA 0.05 -0.05 0.38 -0.75 4.63 4.26 1nd5B1 ASP 1118 HB2 0.03 0.04 0.06 -0.04 2.71 2.80 1nd5B1 ASP 1118 HB3 0.11 0.14 0.21 -0.04 2.70 3.12 1nd5B1 GLN 1119 H 0.01 0.12 0.16 -0.55 8.47 8.21 1nd5B1 GLN 1119 HA -0.32 0.23 0.80 -0.75 4.36 4.32 1nd5B1 GLN 1119 HB2 -0.16 -0.03 0.10 -0.04 2.15 2.02 1nd5B1 GLN 1119 HB3 -0.47 0.00 0.18 -0.04 2.02 1.69 1nd5B1 GLN 1119 HG2 -0.25 0.06 -0.18 -0.04 2.40 1.99 1nd5B1 GLN 1119 HG3 -0.11 0.18 0.05 -0.04 2.39 2.46 1nd5B1 GLN 1119 HE21 -0.15 -0.05 0.02 -0.04 6.97 6.75 1nd5B1 GLN 1119 HE22 -0.26 0.03 -0.01 -0.04 7.69 7.42 1nd5B1 LEU 1120 H 0.21 -0.15 -0.19 -0.55 8.37 7.69 1nd5B1 LEU 1120 HA 0.19 0.28 0.75 -0.75 4.35 4.81 1nd5B1 LEU 1120 HB2 0.08 0.10 -0.27 -0.04 1.64 1.50 1nd5B1 LEU 1120 HB3 0.14 -0.12 -0.03 -0.04 1.64 1.58 1nd5B1 LEU 1120 HG 0.03 -0.02 -0.30 -0.04 1.64 1.30 1nd5B1 LEU 1120 HD13 0.03 0.02 -0.03 -0.04 0.93 0.91 1nd5B1 LEU 1120 HD23 0.25 0.00 -0.12 -0.04 0.89 0.98 1nd5B1 LEU 1121 H 0.19 -0.04 0.04 -0.55 8.37 8.01 1nd5B1 LEU 1121 HA 0.05 0.34 1.02 -0.75 4.35 5.01 1nd5B1 LEU 1121 HB2 0.20 -0.03 -0.05 -0.04 1.64 1.72 1nd5B1 LEU 1121 HB3 0.16 -0.06 -0.03 -0.04 1.64 1.66 1nd5B1 LEU 1121 HG 0.20 -0.04 -0.24 -0.04 1.64 1.52 1nd5B1 LEU 1121 HD13 0.28 0.01 -0.26 -0.04 0.93 0.92 1nd5B1 LEU 1121 HD23 0.01 0.07 -0.23 -0.04 0.89 0.70 1nd5B1 TYR 1122 H 0.29 0.03 -0.06 -0.55 8.29 8.00 1nd5B1 TYR 1122 HA 0.07 0.05 0.51 -0.75 4.56 4.44 1nd5B1 TYR 1122 HB2 0.10 -0.12 0.14 -0.04 3.06 3.14 1nd5B1 TYR 1122 HB3 0.09 0.16 0.16 -0.04 2.98 3.35 1nd5B1 TYR 1122 HD2 0.11 -0.01 -0.03 -0.04 7.15 7.18 1nd5B1 TYR 1122 HE2 -0.03 -0.01 -0.05 -0.04 6.85 6.72 1nd5B1 LEU 1123 H -0.12 0.37 -0.03 -0.55 8.37 8.04 1nd5B1 LEU 1123 HA -0.43 0.05 0.37 -0.75 4.35 3.59 1nd5B1 LEU 1123 HB2 -0.12 -0.05 -0.26 -0.04 1.64 1.17 1nd5B1 LEU 1123 HB3 -0.17 0.03 -0.06 -0.04 1.64 1.39 1nd5B1 LEU 1123 HG -0.26 -0.02 -0.32 -0.04 1.64 0.99 1nd5B1 LEU 1123 HD13 -0.23 -0.03 -0.00 -0.04 0.93 0.62 1nd5B1 LEU 1123 HD23 -0.99 0.02 -0.26 -0.04 0.89 -0.38 1nd5B1 PRO 1124 HA -0.15 -0.03 0.34 -0.51 4.44 4.09 1nd5B1 PRO 1124 HB2 0.02 0.22 -0.08 -0.04 2.28 2.40 1nd5B1 PRO 1124 HB3 0.03 -0.00 0.03 -0.04 2.02 2.03 1nd5B1 PRO 1124 HG2 -0.09 0.02 0.04 -0.04 2.03 1.97 1nd5B1 PRO 1124 HG3 -0.15 0.02 0.04 -0.04 2.03 1.91 1nd5B1 PRO 1124 HD2 -0.17 0.06 0.28 -0.04 3.68 3.80 1nd5B1 PRO 1124 HD3 -0.09 0.03 0.15 -0.04 3.65 3.69 1nd5B1 PHE 1125 H -0.31 0.11 0.09 -0.55 8.34 7.68 1nd5B1 PHE 1125 HA 0.10 0.09 0.44 -0.75 4.62 4.49 1nd5B1 PHE 1125 HB2 0.31 0.11 0.07 -0.04 3.15 3.60 1nd5B1 PHE 1125 HB3 0.18 -0.06 0.02 -0.04 3.06 3.17 1nd5B1 PHE 1125 HD2 0.08 0.24 0.05 -0.04 7.28 7.62 1nd5B1 PHE 1125 HE2 -0.09 -0.07 -0.25 -0.04 7.38 6.93 1nd5B1 PHE 1125 HZ -0.13 0.04 -0.42 -0.04 7.32 6.76 1nd5B1 ARG 1126 H 0.24 0.09 0.18 -0.55 8.46 8.42 1nd5B1 ARG 1126 HA 0.15 0.33 1.01 -0.75 4.34 5.07 1nd5B1 ARG 1126 HB2 0.09 -0.03 0.06 -0.04 1.90 1.97 1nd5B1 ARG 1126 HB3 0.05 -0.04 0.16 -0.04 1.80 1.94 1nd5B1 ARG 1126 HG2 0.03 0.07 -0.10 -0.04 1.67 1.62 1nd5B1 ARG 1126 HG3 0.04 0.30 -0.43 -0.04 1.67 1.54 1nd5B1 ARG 1126 HD2 -0.04 -0.02 -0.03 -0.04 3.22 3.08 1nd5B1 ARG 1126 HD3 -0.03 -0.06 -0.00 -0.04 3.22 3.08 1nd5B1 ASN 1127 H 0.29 0.10 -0.06 -0.55 8.53 8.31 1nd5B1 ASN 1127 HA 0.11 0.16 0.70 -0.75 4.76 4.97 1nd5B1 ASN 1127 HB2 0.16 0.02 0.21 -0.04 2.88 3.23 1nd5B1 ASN 1127 HB3 0.13 -0.01 0.09 -0.04 2.79 2.97 1nd5B1 ASN 1127 HD21 0.06 0.03 0.02 -0.04 7.03 7.10 1nd5B1 ASN 1127 HD22 0.17 -0.01 0.07 -0.04 7.74 7.93 1nd5B1 CYS 1128 H 0.11 0.27 -0.80 -0.55 8.50 7.52 1nd5B1 CYS 1128 HA -0.17 0.18 0.81 -0.75 4.58 4.64 1nd5B1 CYS 1128 HB2 0.13 -0.03 -0.27 -0.04 2.97 2.76 1nd5B1 CYS 1128 HB3 0.12 0.08 0.02 -0.04 2.97 3.14 1nd5B1 PRO 1129 HA -0.03 -0.03 0.36 -0.51 4.44 4.24 1nd5B1 PRO 1129 HB2 -0.08 0.36 0.17 -0.04 2.28 2.69 1nd5B1 PRO 1129 HB3 -0.04 -0.07 0.05 -0.04 2.02 1.91 1nd5B1 PRO 1129 HG2 -0.05 -0.01 0.01 -0.04 2.03 1.94 1nd5B1 PRO 1129 HG3 -0.03 -0.03 0.04 -0.04 2.03 1.97 1nd5B1 PRO 1129 HD2 -0.14 0.15 0.08 -0.04 3.68 3.72 1nd5B1 PRO 1129 HD3 -0.04 0.09 -0.18 -0.04 3.65 3.48 1nd5B1 ARG 1130 H -0.12 0.60 -0.05 -0.55 8.46 8.33 1nd5B1 ARG 1130 HA -0.05 -0.10 0.38 -0.75 4.34 3.82 1nd5B1 ARG 1130 HB2 -0.09 0.22 -0.05 -0.04 1.90 1.93 1nd5B1 ARG 1130 HB3 -0.14 0.05 0.24 -0.04 1.80 1.91 1nd5B1 ARG 1130 HG2 -0.08 0.17 0.13 -0.04 1.67 1.86 1nd5B1 ARG 1130 HG3 -0.06 -0.07 0.13 -0.04 1.67 1.63 1nd5B1 ARG 1130 HD2 -0.03 -0.12 0.10 -0.04 3.22 3.13 1nd5B1 ARG 1130 HD3 -0.04 0.04 0.05 -0.04 3.22 3.22 1nd5B1 GLN 1131 HA -0.00 -0.10 0.37 -0.75 4.36 3.87 1nd5B1 GLN 1131 HB2 -0.01 0.46 0.07 -0.04 2.15 2.62 1nd5B1 GLN 1131 HB3 -0.00 -0.14 -0.05 -0.04 2.02 1.78 1nd5B1 GLN 1131 HG2 0.02 0.31 0.02 -0.04 2.40 2.71 1nd5B1 GLN 1131 HG3 0.01 -0.11 -0.18 -0.04 2.39 2.06 1nd5B1 GLN 1131 HE21 0.02 -0.07 0.10 -0.04 6.97 6.97 1nd5B1 GLN 1131 HE22 0.06 -0.06 0.04 -0.04 7.69 7.69 1nd5B1 GLU 1132 H -0.01 0.68 -0.33 -0.55 8.60 8.39 1nd5B1 GLU 1132 HA -0.00 -0.06 0.47 -0.75 4.29 3.94 1nd5B1 GLU 1132 HB2 -0.01 0.13 0.25 -0.04 2.09 2.41 1nd5B1 GLU 1132 HB3 0.00 -0.10 0.04 -0.04 1.99 1.88 1nd5B1 GLU 1132 HG2 -0.01 -0.09 0.05 -0.04 2.34 2.25 1nd5B1 GLU 1132 HG3 -0.02 0.26 0.03 -0.04 2.34 2.58 1nd5B1 LEU 1133 H 0.00 0.63 0.22 -0.55 8.37 8.67 1nd5B1 LEU 1133 HA 0.07 -0.09 0.33 -0.75 4.35 3.91 1nd5B1 LEU 1133 HB2 0.01 0.12 -0.02 -0.04 1.64 1.71 1nd5B1 LEU 1133 HB3 0.01 0.02 -0.02 -0.04 1.64 1.61 1nd5B1 LEU 1133 HG -0.01 0.12 0.16 -0.04 1.64 1.88 1nd5B1 LEU 1133 HD13 -0.01 0.00 -0.09 -0.04 0.93 0.79 1nd5B1 LEU 1133 HD23 -0.01 -0.04 0.01 -0.04 0.89 0.81 1nd5B1 GLU 1134 H -0.00 0.22 -0.50 -0.55 8.60 7.77 1nd5B1 GLU 1134 HA -0.04 0.11 0.43 -0.75 4.29 4.03 1nd5B1 GLU 1134 HB2 -0.03 0.04 0.18 -0.04 2.09 2.25 1nd5B1 GLU 1134 HB3 -0.03 0.09 0.24 -0.04 1.99 2.25 1nd5B1 GLU 1134 HG2 -0.08 -0.09 -0.05 -0.04 2.34 2.07 1nd5B1 GLU 1134 HG3 -0.09 0.07 0.07 -0.04 2.34 2.36 1nd5B1 SER 1135 H -0.01 0.62 0.12 -0.55 8.46 8.64 1nd5B1 SER 1135 HA -0.02 -0.08 0.35 -0.75 4.49 4.00 1nd5B1 SER 1135 HB2 0.00 0.17 0.26 -0.04 3.95 4.34 1nd5B1 SER 1135 HB3 -0.00 -0.11 0.03 -0.04 3.93 3.81 1nd5B1 GLU 1136 H 0.02 0.71 -0.15 -0.55 8.60 8.64 1nd5B1 GLU 1136 HA -0.04 -0.09 0.40 -0.75 4.29 3.81 1nd5B1 GLU 1136 HB2 0.18 0.24 0.12 -0.04 2.09 2.59 1nd5B1 GLU 1136 HB3 -0.07 -0.14 0.04 -0.04 1.99 1.78 1nd5B1 GLU 1136 HG2 0.02 -0.09 0.01 -0.04 2.34 2.24 1nd5B1 GLU 1136 HG3 0.05 0.27 -0.13 -0.04 2.34 2.48 1nd5B1 THR 1137 H 0.04 0.67 -0.09 -0.55 8.28 8.35 1nd5B1 THR 1137 HA -0.02 -0.17 0.35 -0.75 4.39 3.79 1nd5B1 THR 1137 HB -0.16 0.07 0.16 -0.04 4.32 4.35 1nd5B1 THR 1137 HG23 -0.10 -0.04 0.09 -0.04 1.22 1.13 1nd5B1 LEU 1138 H -0.08 0.42 -0.23 -0.55 8.37 7.94 1nd5B1 LEU 1138 HA 0.08 -0.04 0.38 -0.75 4.35 4.02 1nd5B1 LEU 1138 HB2 0.01 0.22 0.15 -0.04 1.64 1.99 1nd5B1 LEU 1138 HB3 0.10 -0.10 0.01 -0.04 1.64 1.61 1nd5B1 LEU 1138 HG -0.01 -0.08 0.01 -0.04 1.64 1.52 1nd5B1 LEU 1138 HD13 -0.08 -0.03 0.00 -0.04 0.93 0.78 1nd5B1 LEU 1138 HD23 -0.16 -0.01 -0.07 -0.04 0.89 0.61 1nd5B1 LYS 1139 H -0.01 0.39 -0.18 -0.55 8.42 8.07 1nd5B1 LYS 1139 HA 0.03 -0.02 0.46 -0.75 4.32 4.03 1nd5B1 LYS 1139 HB2 -0.06 0.22 0.31 -0.04 1.87 2.31 1nd5B1 LYS 1139 HB3 -0.04 -0.12 0.07 -0.04 1.79 1.65 1nd5B1 LYS 1139 HG2 -0.02 -0.06 0.03 -0.04 1.46 1.37 1nd5B1 LYS 1139 HG3 0.00 -0.05 0.02 -0.04 1.46 1.40 1nd5B1 LYS 1139 HD2 0.02 -0.04 -0.05 -0.04 1.69 1.57 1nd5B1 LYS 1139 HD3 -0.01 0.15 -0.05 -0.04 1.68 1.73 1nd5B1 LYS 1139 HE2 0.00 -0.04 -0.03 -0.04 2.99 2.88 1nd5B1 LYS 1139 HE3 0.01 -0.04 -0.03 -0.04 2.99 2.89 1nd5B1 SER 1140 H -0.13 0.36 0.12 -0.55 8.46 8.26 1nd5B1 SER 1140 HA -0.08 -0.09 0.39 -0.75 4.49 3.95 1nd5B1 SER 1140 HB2 -0.05 -0.12 0.09 -0.04 3.95 3.82 1nd5B1 SER 1140 HB3 -0.37 0.09 0.09 -0.04 3.93 3.70 1nd5B1 GLU 1141 H -0.01 0.09 0.15 -0.55 8.60 8.28 1nd5B1 GLU 1141 HA -0.00 0.17 0.47 -0.75 4.29 4.17 1nd5B1 GLU 1141 HB2 -0.01 -0.02 0.17 -0.04 2.09 2.19 1nd5B1 GLU 1141 HB3 -0.01 0.01 0.00 -0.04 1.99 1.95 1nd5B1 GLU 1141 HG2 -0.04 -0.02 0.10 -0.04 2.34 2.34 1nd5B1 GLU 1141 HG3 -0.03 0.05 0.08 -0.04 2.34 2.40 1nd5B1 GLU 1142 H 0.03 -0.01 -0.50 -0.55 8.60 7.58 1nd5B1 GLU 1142 HA 0.04 0.03 0.36 -0.75 4.29 3.97 1nd5B1 GLU 1142 HB2 0.06 -0.03 0.06 -0.04 2.09 2.14 1nd5B1 GLU 1142 HB3 0.09 0.00 0.02 -0.04 1.99 2.06 1nd5B1 GLU 1142 HG2 0.08 0.08 -0.03 -0.04 2.34 2.43 1nd5B1 GLU 1142 HG3 0.11 0.02 -0.22 -0.04 2.34 2.21 1nd5B1 PHE 1143 H 0.19 0.34 -0.09 -0.55 8.34 8.23 1nd5B1 PHE 1143 HA 0.02 -0.02 0.39 -0.75 4.62 4.26 1nd5B1 PHE 1143 HB2 0.01 -0.03 0.11 -0.04 3.15 3.20 1nd5B1 PHE 1143 HB3 -0.00 0.35 0.10 -0.04 3.06 3.46 1nd5B1 PHE 1143 HD2 0.01 0.14 0.08 -0.04 7.28 7.47 1nd5B1 PHE 1143 HE2 0.01 -0.02 -0.02 -0.04 7.38 7.31 1nd5B1 PHE 1143 HZ 0.03 -0.10 -0.01 -0.04 7.32 7.20 1nd5B1 GLN 1144 H 0.02 0.34 -0.34 -0.55 8.47 7.95 1nd5B1 GLN 1144 HA -0.29 -0.04 0.51 -0.75 4.36 3.79 1nd5B1 GLN 1144 HB2 -0.05 0.08 0.24 -0.04 2.15 2.39 1nd5B1 GLN 1144 HB3 -0.09 -0.12 0.07 -0.04 2.02 1.84 1nd5B1 GLN 1144 HG2 0.03 0.39 0.09 -0.04 2.40 2.87 1nd5B1 GLN 1144 HG3 -0.02 -0.09 0.08 -0.04 2.39 2.32 1nd5B1 GLN 1144 HE21 0.05 -0.15 0.04 -0.04 6.97 6.86 1nd5B1 GLN 1144 HE22 0.10 0.43 0.15 -0.04 7.69 8.33 1nd5B1 LYS 1145 H -0.03 0.73 0.04 -0.55 8.42 8.60 1nd5B1 LYS 1145 HA -0.01 0.00 0.39 -0.75 4.32 3.94 1nd5B1 LYS 1145 HB2 -0.00 0.02 0.14 -0.04 1.87 1.98 1nd5B1 LYS 1145 HB3 0.01 0.09 0.06 -0.04 1.79 1.91 1nd5B1 LYS 1145 HG2 0.01 -0.04 0.01 -0.04 1.46 1.40 1nd5B1 LYS 1145 HG3 0.01 0.00 0.04 -0.04 1.46 1.48 1nd5B1 LYS 1145 HD2 -0.02 -0.02 0.02 -0.04 1.69 1.63 1nd5B1 LYS 1145 HD3 -0.00 -0.03 0.02 -0.04 1.68 1.63 1nd5B1 LYS 1145 HE2 0.03 -0.01 0.07 -0.04 2.99 3.03 1nd5B1 LYS 1145 HE3 -0.02 0.00 0.09 -0.04 2.99 3.02 1nd5B1 ARG 1146 H -0.05 0.28 -0.55 -0.55 8.46 7.59 1nd5B1 ARG 1146 HA 0.05 0.06 0.56 -0.75 4.34 4.25 1nd5B1 ARG 1146 HB2 -0.04 0.09 0.10 -0.04 1.90 2.01 1nd5B1 ARG 1146 HB3 0.04 -0.07 0.03 -0.04 1.80 1.76 1nd5B1 ARG 1146 HG2 0.03 -0.09 -0.05 -0.04 1.67 1.52 1nd5B1 ARG 1146 HG3 0.06 0.19 0.11 -0.04 1.67 1.99 1nd5B1 ARG 1146 HD2 0.09 -0.01 -0.02 -0.04 3.22 3.25 1nd5B1 ARG 1146 HD3 0.05 -0.04 -0.02 -0.04 3.22 3.17 1nd5B1 LEU 1147 H -0.28 0.50 0.12 -0.55 8.37 8.16 1nd5B1 LEU 1147 HA -0.02 -0.00 0.42 -0.75 4.35 4.00 1nd5B1 LEU 1147 HB2 -0.69 0.05 0.13 -0.04 1.64 1.08 1nd5B1 LEU 1147 HB3 -0.35 0.00 0.23 -0.04 1.64 1.49 1nd5B1 LEU 1147 HG -0.02 -0.04 -0.31 -0.04 1.64 1.23 1nd5B1 LEU 1147 HD13 0.02 -0.02 -0.05 -0.04 0.93 0.84 1nd5B1 LEU 1147 HD23 -0.10 -0.00 -0.01 -0.04 0.89 0.74 1nd5B1 HIS 1148 H 0.02 0.48 0.07 -0.55 8.41 8.43 1nd5B1 HIS 1148 HA -0.03 -0.09 0.34 -0.75 4.63 4.09 1nd5B1 HIS 1148 HB2 -0.05 0.12 0.11 -0.04 3.26 3.40 1nd5B1 HIS 1148 HB3 -0.04 0.15 0.01 -0.04 3.20 3.28 1nd5B1 HIS 1148 HD2 -0.03 0.04 -0.03 -0.04 6.97 6.90 1nd5B1 HIS 1148 HE1 -0.02 -0.04 -0.01 -0.04 7.75 7.64 1nd5B1 PRO 1149 HA -0.31 -0.05 0.46 -0.51 4.44 4.04 1nd5B1 PRO 1149 HB2 -0.52 0.10 0.05 -0.04 2.28 1.86 1nd5B1 PRO 1149 HB3 -0.32 -0.07 0.13 -0.04 2.02 1.71 1nd5B1 PRO 1149 HG2 -0.05 0.09 0.09 -0.04 2.03 2.11 1nd5B1 PRO 1149 HG3 -0.08 -0.08 0.07 -0.04 2.03 1.90 1nd5B1 PRO 1149 HD2 0.07 0.54 -0.69 -0.04 3.68 3.56 1nd5B1 PRO 1149 HD3 0.11 0.11 -0.17 -0.04 3.65 3.65 1nd5B1 TYR 1150 H 0.11 1.24 -0.10 -0.55 8.29 8.98 1nd5B1 TYR 1150 HA 0.01 0.05 0.88 -0.75 4.56 4.74 1nd5B1 TYR 1150 HB2 -0.01 0.10 0.12 -0.04 3.06 3.23 1nd5B1 TYR 1150 HB3 0.05 -0.14 0.19 -0.04 2.98 3.03 1nd5B1 TYR 1150 HD2 -0.17 0.13 0.11 -0.04 7.15 7.17 1nd5B1 TYR 1150 HE2 -0.14 0.02 0.03 -0.04 6.85 6.72 1nd5B1 LYS 1151 H -0.03 0.61 -0.22 -0.55 8.42 8.23 1nd5B1 LYS 1151 HA 0.08 0.07 0.43 -0.75 4.32 4.15 1nd5B1 LYS 1151 HB2 0.03 0.16 0.14 -0.04 1.87 2.17 1nd5B1 LYS 1151 HB3 -0.03 -0.06 0.13 -0.04 1.79 1.79 1nd5B1 LYS 1151 HG2 0.07 0.00 -0.01 -0.04 1.46 1.49 1nd5B1 LYS 1151 HG3 0.04 -0.05 -0.13 -0.04 1.46 1.28 1nd5B1 LYS 1151 HD2 0.05 -0.02 -0.01 -0.04 1.69 1.67 1nd5B1 LYS 1151 HD3 0.05 -0.03 0.04 -0.04 1.68 1.70 1nd5B1 LYS 1151 HE2 0.04 0.00 -0.05 -0.04 2.99 2.94 1nd5B1 LYS 1151 HE3 0.06 0.02 -0.16 -0.04 2.99 2.87 1nd5B1 ASP 1152 H -0.00 0.20 -0.00 -0.55 8.40 8.05 1nd5B1 ASP 1152 HA 0.01 0.09 0.45 -0.75 4.63 4.42 1nd5B1 ASP 1152 HB2 -0.01 0.04 0.09 -0.04 2.71 2.79 1nd5B1 ASP 1152 HB3 0.00 0.03 0.13 -0.04 2.70 2.82 1nd5B1 PHE 1153 H 0.18 0.15 -0.20 -0.55 8.34 7.91 1nd5B1 PHE 1153 HA 0.01 0.02 0.33 -0.75 4.62 4.23 1nd5B1 PHE 1153 HB2 0.03 0.04 0.11 -0.04 3.15 3.29 1nd5B1 PHE 1153 HB3 0.10 0.10 0.07 -0.04 3.06 3.29 1nd5B1 PHE 1153 HD2 0.08 0.03 -0.07 -0.04 7.28 7.28 1nd5B1 PHE 1153 HE2 0.10 -0.02 -0.05 -0.04 7.38 7.36 1nd5B1 PHE 1153 HZ 0.15 0.04 0.03 -0.04 7.32 7.49 1nd5B1 ILE 1154 H 0.23 0.47 -0.24 -0.55 8.25 8.16 1nd5B1 ILE 1154 HA -0.11 -0.03 0.36 -0.75 4.18 3.64 1nd5B1 ILE 1154 HB 0.07 -0.07 0.01 -0.04 1.89 1.86 1nd5B1 ILE 1154 HG12 0.10 0.22 0.15 -0.04 1.49 1.92 1nd5B1 ILE 1154 HG13 0.04 -0.00 -0.24 -0.04 1.21 0.97 1nd5B1 ILE 1154 HG23 0.26 0.07 0.05 -0.04 0.93 1.28 1nd5B1 ILE 1154 HD13 0.08 -0.03 -0.01 -0.04 0.88 0.87 1nd5B1 ALA 1155 H -0.01 0.37 -0.40 -0.55 8.40 7.81 1nd5B1 ALA 1155 HA -0.02 -0.01 0.35 -0.75 4.34 3.91 1nd5B1 ALA 1155 HB3 -0.02 0.05 0.13 -0.04 1.41 1.53 1nd5B1 THR 1156 H -0.14 0.40 -0.07 -0.55 8.28 7.93 1nd5B1 THR 1156 HA -0.13 0.05 0.42 -0.75 4.39 3.98 1nd5B1 THR 1156 HB -0.17 -0.03 0.02 -0.04 4.32 4.10 1nd5B1 THR 1156 HG23 -0.09 0.04 0.03 -0.04 1.22 1.16 1nd5B1 LEU 1157 H -0.37 0.50 -0.05 -0.55 8.37 7.91 1nd5B1 LEU 1157 HA -0.46 -0.03 0.34 -0.75 4.35 3.45 1nd5B1 LEU 1157 HB2 -0.63 0.08 0.08 -0.04 1.64 1.13 1nd5B1 LEU 1157 HB3 -0.22 0.13 0.12 -0.04 1.64 1.63 1nd5B1 LEU 1157 HG -0.12 -0.03 -0.16 -0.04 1.64 1.29 1nd5B1 LEU 1157 HD13 -0.07 -0.01 0.01 -0.04 0.93 0.81 1nd5B1 LEU 1157 HD23 0.12 -0.00 -0.05 -0.04 0.89 0.91 1nd5B1 GLY 1158 H -0.13 0.59 -0.37 -0.55 8.43 7.97 1nd5B1 GLY 1158 HA2 -0.11 0.00 0.45 -0.51 4.01 3.84 1nd5B1 GLY 1158 HA3 -0.04 0.06 0.30 -0.51 4.01 3.82 1nd5B1 LYS 1159 H -0.16 0.72 -0.27 -0.55 8.42 8.16 1nd5B1 LYS 1159 HA -0.02 0.09 0.66 -0.75 4.32 4.30 1nd5B1 LYS 1159 HB2 -0.04 0.01 0.09 -0.04 1.87 1.88 1nd5B1 LYS 1159 HB3 -0.13 0.06 0.06 -0.04 1.79 1.73 1nd5B1 LYS 1159 HG2 -0.05 -0.01 0.10 -0.04 1.46 1.46 1nd5B1 LYS 1159 HG3 0.03 -0.02 0.05 -0.04 1.46 1.48 1nd5B1 LYS 1159 HD2 -0.07 -0.02 -0.01 -0.04 1.69 1.55 1nd5B1 LYS 1159 HD3 -0.03 -0.03 0.00 -0.04 1.68 1.58 1nd5B1 LYS 1159 HE2 -0.03 -0.01 -0.01 -0.04 2.99 2.90 1nd5B1 LYS 1159 HE3 -0.05 0.07 0.01 -0.04 2.99 2.97 1nd5B1 LEU 1160 H -0.38 0.37 -0.12 -0.55 8.37 7.69 1nd5B1 LEU 1160 HA -0.43 0.14 0.74 -0.75 4.35 4.05 1nd5B1 LEU 1160 HB2 -1.11 0.07 0.08 -0.04 1.64 0.64 1nd5B1 LEU 1160 HB3 -1.98 -0.05 0.01 -0.04 1.64 -0.42 1nd5B1 LEU 1160 HG -0.51 0.05 -0.15 -0.04 1.64 0.98 1nd5B1 LEU 1160 HD13 -0.88 -0.02 -0.05 -0.04 0.93 -0.06 1nd5B1 LEU 1160 HD23 -0.54 -0.00 -0.04 -0.04 0.89 0.27 1nd5B1 SER 1161 H -0.33 0.30 -0.04 -0.55 8.46 7.84 1nd5B1 SER 1161 HA -0.26 0.14 0.77 -0.75 4.49 4.39 1nd5B1 SER 1161 HB2 -0.06 -0.07 0.06 -0.04 3.95 3.84 1nd5B1 SER 1161 HB3 -0.28 0.02 0.07 -0.04 3.93 3.69 1nd5B1 GLY 1162 H -0.20 0.41 -0.05 -0.55 8.43 8.05 1nd5B1 GLY 1162 HA2 -0.18 0.07 0.27 -0.51 4.01 3.66 1nd5B1 GLY 1162 HA3 -0.03 0.10 0.89 -0.51 4.01 4.46 1nd5B1 LEU 1163 H -0.10 0.04 -0.11 -0.55 8.37 7.65 1nd5B1 LEU 1163 HA -0.09 0.08 0.62 -0.75 4.35 4.20 1nd5B1 LEU 1163 HB2 -0.03 0.00 0.11 -0.04 1.64 1.68 1nd5B1 LEU 1163 HB3 -0.00 -0.04 0.01 -0.04 1.64 1.57 1nd5B1 LEU 1163 HG 0.06 -0.01 -0.02 -0.04 1.64 1.63 1nd5B1 LEU 1163 HD13 0.05 -0.01 -0.10 -0.04 0.93 0.82 1nd5B1 LEU 1163 HD23 0.02 0.02 -0.02 -0.04 0.89 0.87 1nd5B1 HIS 1164 H -0.01 0.15 0.12 -0.55 8.41 8.12 1nd5B1 HIS 1164 HA -0.01 0.26 0.86 -0.75 4.63 4.98 1nd5B1 HIS 1164 HB2 0.01 -0.03 0.19 -0.04 3.26 3.39 1nd5B1 HIS 1164 HB3 0.00 -0.02 0.17 -0.04 3.20 3.31 1nd5B1 HIS 1164 HD2 0.01 -0.04 0.04 -0.04 6.97 6.94 1nd5B1 HIS 1164 HE1 -0.03 -0.01 -0.06 -0.04 7.75 7.60 1nd5B1 GLY 1165 H 0.04 0.34 -0.28 -0.55 8.43 7.99 1nd5B1 GLY 1165 HA2 0.07 0.19 0.82 -0.51 4.01 4.58 1nd5B1 GLY 1165 HA3 0.07 -0.01 0.25 -0.51 4.01 3.81 1nd5B1 GLN 1166 H 0.06 0.22 0.06 -0.55 8.47 8.26 1nd5B1 GLN 1166 HA 0.06 0.18 0.45 -0.75 4.36 4.30 1nd5B1 GLN 1166 HB2 0.06 -0.00 0.09 -0.04 2.15 2.25 1nd5B1 GLN 1166 HB3 0.08 0.02 0.15 -0.04 2.02 2.22 1nd5B1 GLN 1166 HG2 0.05 0.03 -0.01 -0.04 2.40 2.43 1nd5B1 GLN 1166 HG3 0.05 0.05 -0.10 -0.04 2.39 2.34 1nd5B1 GLN 1166 HE21 0.02 0.01 -0.04 -0.04 6.97 6.92 1nd5B1 GLN 1166 HE22 0.03 0.02 -0.06 -0.04 7.69 7.64 1nd5B1 ASP 1167 H 0.08 0.02 -1.11 -0.55 8.40 6.84 1nd5B1 ASP 1167 HA 0.12 0.08 0.37 -0.75 4.63 4.45 1nd5B1 ASP 1167 HB2 0.10 0.07 0.01 -0.04 2.71 2.84 1nd5B1 ASP 1167 HB3 0.09 0.03 0.05 -0.04 2.70 2.84 1nd5B1 LEU 1168 H 0.16 0.26 0.23 -0.55 8.37 8.48 1nd5B1 LEU 1168 HA 0.14 0.09 0.29 -0.75 4.35 4.12 1nd5B1 LEU 1168 HB2 0.19 -0.03 0.16 -0.04 1.64 1.91 1nd5B1 LEU 1168 HB3 0.18 0.03 -0.05 -0.04 1.64 1.76 1nd5B1 LEU 1168 HG 0.32 0.05 0.08 -0.04 1.64 2.04 1nd5B1 LEU 1168 HD13 0.25 0.04 -0.06 -0.04 0.93 1.12 1nd5B1 LEU 1168 HD23 0.11 0.01 0.01 -0.04 0.89 0.98 1nd5B1 PHE 1169 H 0.31 0.15 -0.13 -0.55 8.34 8.12 1nd5B1 PHE 1169 HA 0.31 0.06 0.38 -0.75 4.62 4.61 1nd5B1 PHE 1169 HB2 0.09 0.10 0.07 -0.04 3.15 3.37 1nd5B1 PHE 1169 HB3 0.06 -0.04 0.02 -0.04 3.06 3.06 1nd5B1 PHE 1169 HD2 0.09 0.00 -0.05 -0.04 7.28 7.29 1nd5B1 PHE 1169 HE2 -0.28 0.02 -0.05 -0.04 7.38 7.03 1nd5B1 PHE 1169 HZ -0.21 0.02 -0.04 -0.04 7.32 7.04 1nd5B1 GLY 1170 H 0.14 0.13 -0.38 -0.55 8.43 7.78 1nd5B1 GLY 1170 HA2 -0.20 -0.03 0.31 -0.51 4.01 3.58 1nd5B1 GLY 1170 HA3 0.01 0.09 0.23 -0.51 4.01 3.83 1nd5B1 ILE 1171 H 0.10 0.50 -0.22 -0.55 8.25 8.08 1nd5B1 ILE 1171 HA 0.10 0.02 0.33 -0.75 4.18 3.88 1nd5B1 ILE 1171 HB 0.14 0.15 0.09 -0.04 1.89 2.23 1nd5B1 ILE 1171 HG12 0.11 0.15 -0.12 -0.04 1.49 1.59 1nd5B1 ILE 1171 HG13 0.12 0.00 -0.07 -0.04 1.21 1.21 1nd5B1 ILE 1171 HG23 0.17 -0.03 -0.09 -0.04 0.93 0.94 1nd5B1 ILE 1171 HD13 0.08 -0.01 -0.07 -0.04 0.88 0.83 1nd5B1 TRP 1172 H 0.25 0.48 -0.15 -0.55 7.97 8.01 1nd5B1 TRP 1172 HA 0.11 -0.06 0.48 -0.75 4.62 4.41 1nd5B1 TRP 1172 HB2 0.00 0.01 0.09 -0.04 3.23 3.29 1nd5B1 TRP 1172 HB3 -0.08 0.14 0.23 -0.04 3.23 3.48 1nd5B1 TRP 1172 HD1 0.25 -0.11 -0.01 -0.04 7.22 7.31 1nd5B1 TRP 1172 HE1 0.08 0.01 -0.06 -0.04 10.20 10.19 1nd5B1 TRP 1172 HE3 0.20 -0.01 0.01 -0.04 7.59 7.76 1nd5B1 TRP 1172 HZ2 0.05 -0.01 -0.05 -0.04 7.44 7.38 1nd5B1 TRP 1172 HZ3 0.10 0.04 -0.05 -0.04 7.13 7.18 1nd5B1 TRP 1172 HH2 0.05 -0.02 -0.05 -0.04 7.19 7.12 1nd5B1 SER 1173 H -0.40 0.83 0.14 -0.55 8.46 8.48 1nd5B1 SER 1173 HA -0.55 0.00 0.43 -0.75 4.49 3.61 1nd5B1 SER 1173 HB2 -0.54 -0.03 -0.05 -0.04 3.95 3.30 1nd5B1 SER 1173 HB3 -1.32 -0.02 0.05 -0.04 3.93 2.60 1nd5B1 LYS 1174 H -0.11 0.66 -0.10 -0.55 8.42 8.32 1nd5B1 LYS 1174 HA -0.05 0.20 0.76 -0.75 4.32 4.48 1nd5B1 LYS 1174 HB2 0.01 0.16 0.01 -0.04 1.87 2.01 1nd5B1 LYS 1174 HB3 0.08 -0.06 -0.11 -0.04 1.79 1.66 1nd5B1 LYS 1174 HG2 -0.05 0.02 -0.21 -0.04 1.46 1.18 1nd5B1 LYS 1174 HG3 -0.13 -0.09 -0.27 -0.04 1.46 0.93 1nd5B1 LYS 1174 HD2 -0.03 -0.05 -0.05 -0.04 1.69 1.52 1nd5B1 LYS 1174 HD3 0.02 -0.00 -0.07 -0.04 1.68 1.58 1nd5B1 LYS 1174 HE2 0.00 0.06 -0.05 -0.04 2.99 2.95 1nd5B1 LYS 1174 HE3 -0.01 -0.02 -0.08 -0.04 2.99 2.84 1nd5B1 VAL 1175 H 0.13 0.23 -0.26 -0.55 8.24 7.79 1nd5B1 VAL 1175 HA 0.42 0.13 1.04 -0.75 4.13 4.97 1nd5B1 VAL 1175 HB 0.19 0.26 0.27 -0.04 2.12 2.80 1nd5B1 VAL 1175 HG13 0.16 -0.02 -0.07 -0.04 0.97 1.00 1nd5B1 VAL 1175 HG23 0.09 -0.01 -0.17 -0.04 0.95 0.82 1nd5B1 TYR 1176 H 0.32 0.65 0.35 -0.55 8.29 9.06 1nd5B1 TYR 1176 HA 0.17 0.02 0.42 -0.75 4.56 4.42 1nd5B1 TYR 1176 HB2 0.16 -0.03 0.02 -0.04 3.06 3.17 1nd5B1 TYR 1176 HB3 0.30 0.05 0.20 -0.04 2.98 3.49 1nd5B1 TYR 1176 HD2 0.22 0.01 -0.01 -0.04 7.15 7.32 1nd5B1 TYR 1176 HE2 -0.01 0.02 -0.00 -0.04 6.85 6.82 1nd5B1 ASP 1177 H 0.17 0.61 0.03 -0.55 8.40 8.67 1nd5B1 ASP 1177 HA -0.10 -0.00 0.44 -0.75 4.63 4.21 1nd5B1 ASP 1177 HB2 -0.06 0.09 0.14 -0.04 2.71 2.83 1nd5B1 ASP 1177 HB3 -0.11 0.21 0.14 -0.04 2.70 2.90 1nd5B1 PRO 1178 HA -0.09 0.02 0.48 -0.51 4.44 4.33 1nd5B1 PRO 1178 HB2 0.13 0.05 0.07 -0.04 2.28 2.49 1nd5B1 PRO 1178 HB3 -0.12 0.04 0.11 -0.04 2.02 2.02 1nd5B1 PRO 1178 HG2 0.05 0.04 -0.08 -0.04 2.03 2.01 1nd5B1 PRO 1178 HG3 -0.16 0.40 0.28 -0.04 2.03 2.51 1nd5B1 PRO 1178 HD2 0.13 0.15 -0.65 -0.04 3.68 3.27 1nd5B1 PRO 1178 HD3 -0.02 0.20 -0.13 -0.04 3.65 3.66 1nd5B1 LEU 1179 H 0.12 0.51 -0.17 -0.55 8.37 8.29 1nd5B1 LEU 1179 HA 0.09 0.03 0.36 -0.75 4.35 4.07 1nd5B1 LEU 1179 HB2 0.05 0.09 0.15 -0.04 1.64 1.89 1nd5B1 LEU 1179 HB3 0.01 -0.06 0.02 -0.04 1.64 1.57 1nd5B1 LEU 1179 HG 0.26 0.21 0.15 -0.04 1.64 2.22 1nd5B1 LEU 1179 HD13 -0.03 -0.04 -0.08 -0.04 0.93 0.74 1nd5B1 LEU 1179 HD23 0.02 -0.02 0.02 -0.04 0.89 0.87 1nd5B1 TYR 1180 H -0.05 0.59 -0.15 -0.55 8.29 8.13 1nd5B1 TYR 1180 HA -0.06 -0.01 0.41 -0.75 4.56 4.14 1nd5B1 TYR 1180 HB2 -0.72 0.05 0.14 -0.04 3.06 2.49 1nd5B1 TYR 1180 HB3 -0.26 0.07 0.18 -0.04 2.98 2.93 1nd5B1 TYR 1180 HD2 -0.01 0.02 -0.11 -0.04 7.15 7.00 1nd5B1 TYR 1180 HE2 0.03 -0.02 -0.02 -0.04 6.85 6.80 1nd5B1 CYS 1181 H 0.14 0.72 -0.02 -0.55 8.50 8.79 1nd5B1 CYS 1181 HA 0.26 -0.02 0.44 -0.75 4.58 4.50 1nd5B1 CYS 1181 HB2 -0.00 0.07 0.21 -0.04 2.97 3.21 1nd5B1 CYS 1181 HB3 -0.12 -0.05 0.05 -0.04 2.97 2.81 1nd5B1 GLU 1182 H 0.25 0.80 -0.03 -0.55 8.60 9.08 1nd5B1 GLU 1182 HA 0.71 -0.03 0.34 -0.75 4.29 4.55 1nd5B1 GLU 1182 HB2 0.17 0.07 0.10 -0.04 2.09 2.39 1nd5B1 GLU 1182 HB3 0.23 -0.02 -0.06 -0.04 1.99 2.10 1nd5B1 GLU 1182 HG2 0.26 -0.05 -0.00 -0.04 2.34 2.51 1nd5B1 GLU 1182 HG3 0.35 0.11 0.11 -0.04 2.34 2.87 1nd5B1 SER 1183 H 0.09 0.65 -0.23 -0.55 8.46 8.43 1nd5B1 SER 1183 HA 0.04 0.02 0.32 -0.75 4.49 4.11 1nd5B1 SER 1183 HB2 -0.03 -0.03 0.10 -0.04 3.95 3.95 1nd5B1 SER 1183 HB3 -0.16 0.13 0.28 -0.04 3.93 4.14 1nd5B1 VAL 1184 H -0.06 0.73 -0.00 -0.55 8.24 8.36 1nd5B1 VAL 1184 HA -0.05 -0.04 0.41 -0.75 4.13 3.68 1nd5B1 VAL 1184 HB 0.37 0.17 0.23 -0.04 2.12 2.85 1nd5B1 VAL 1184 HG13 0.15 -0.04 -0.09 -0.04 0.97 0.94 1nd5B1 VAL 1184 HG23 -0.17 0.08 0.09 -0.04 0.95 0.90 1nd5B1 HIS 1185 H 0.44 0.52 -0.12 -0.55 8.41 8.71 1nd5B1 HIS 1185 HA -0.03 0.03 0.52 -0.75 4.63 4.40 1nd5B1 HIS 1185 HB2 0.16 0.10 0.12 -0.04 3.26 3.59 1nd5B1 HIS 1185 HB3 -0.24 -0.04 0.20 -0.04 3.20 3.09 1nd5B1 HIS 1185 HD2 0.21 0.05 -0.00 -0.04 6.97 7.18 1nd5B1 HIS 1185 HE1 0.12 -0.20 -0.03 -0.04 7.75 7.60 1nd5B1 ASN 1186 H 0.02 0.61 -0.82 -0.55 8.53 7.80 1nd5B1 ASN 1186 HA -0.02 0.09 0.32 -0.75 4.76 4.39 1nd5B1 ASN 1186 HB2 -0.15 0.10 -0.06 -0.04 2.88 2.74 1nd5B1 ASN 1186 HB3 -0.08 -0.11 0.16 -0.04 2.79 2.72 1nd5B1 ASN 1186 HD21 -0.10 -0.05 -0.02 -0.04 7.03 6.82 1nd5B1 ASN 1186 HD22 -0.13 -0.00 -0.15 -0.04 7.74 7.42 1nd5B1 PHE 1187 H 0.07 0.37 -0.40 -0.55 8.34 7.82 1nd5B1 PHE 1187 HA -0.08 -0.03 0.40 -0.75 4.62 4.15 1nd5B1 PHE 1187 HB2 -0.02 -0.02 0.03 -0.04 3.15 3.10 1nd5B1 PHE 1187 HB3 -0.05 0.03 -0.15 -0.04 3.06 2.84 1nd5B1 PHE 1187 HD2 -0.22 -0.05 0.04 -0.04 7.28 7.02 1nd5B1 PHE 1187 HE2 -1.40 -0.05 0.00 -0.04 7.38 5.90 1nd5B1 PHE 1187 HZ -0.76 0.35 0.09 -0.04 7.32 6.95 1nd5B1 THR 1188 H 0.13 0.05 0.17 -0.55 8.28 8.08 1nd5B1 THR 1188 HA 0.03 0.02 0.41 -0.75 4.39 4.10 1nd5B1 THR 1188 HB 0.03 0.01 0.14 -0.04 4.32 4.46 1nd5B1 THR 1188 HG23 0.07 -0.02 0.08 -0.04 1.22 1.31 1nd5B1 LEU 1189 H 0.01 0.08 0.17 -0.55 8.37 8.08 1nd5B1 LEU 1189 HA -0.01 0.19 0.70 -0.75 4.35 4.47 1nd5B1 LEU 1189 HB2 -0.01 0.03 0.10 -0.04 1.64 1.71 1nd5B1 LEU 1189 HB3 -0.08 0.01 -0.06 -0.04 1.64 1.47 1nd5B1 LEU 1189 HG -0.11 -0.05 0.05 -0.04 1.64 1.50 1nd5B1 LEU 1189 HD13 0.04 0.05 -0.13 -0.04 0.93 0.86 1nd5B1 LEU 1189 HD23 -0.03 -0.00 -0.02 -0.04 0.89 0.80 1nd5B1 PRO 1190 HA -0.06 0.03 0.45 -0.51 4.44 4.35 1nd5B1 PRO 1190 HB2 -0.98 -0.08 -0.01 -0.04 2.28 1.17 1nd5B1 PRO 1190 HB3 -0.04 0.11 0.11 -0.04 2.02 2.15 1nd5B1 PRO 1190 HG2 -0.72 -0.05 0.09 -0.04 2.03 1.31 1nd5B1 PRO 1190 HG3 -0.27 0.07 0.06 -0.04 2.03 1.86 1nd5B1 PRO 1190 HD2 -0.10 0.11 0.22 -0.04 3.68 3.86 1nd5B1 PRO 1190 HD3 -0.02 0.19 0.17 -0.04 3.65 3.95 1nd5B1 SER 1191 H 0.00 0.17 0.18 -0.55 8.46 8.27 1nd5B1 SER 1191 HA -0.01 0.11 0.34 -0.75 4.49 4.18 1nd5B1 SER 1191 HB2 0.09 0.01 0.03 -0.04 3.95 4.03 1nd5B1 SER 1191 HB3 0.06 0.05 0.15 -0.04 3.93 4.14 1nd5B1 TRP 1192 H -0.11 0.06 -0.50 -0.55 7.97 6.87 1nd5B1 TRP 1192 HA 0.02 0.14 0.64 -0.75 4.62 4.67 1nd5B1 TRP 1192 HB2 -0.01 -0.03 0.14 -0.04 3.23 3.30 1nd5B1 TRP 1192 HB3 -0.00 0.00 0.02 -0.04 3.23 3.21 1nd5B1 TRP 1192 HD1 0.01 -0.05 -0.04 -0.04 7.22 7.10 1nd5B1 TRP 1192 HE1 -0.00 0.07 -0.02 -0.04 10.20 10.21 1nd5B1 TRP 1192 HE3 -0.03 -0.07 -0.03 -0.04 7.59 7.42 1nd5B1 TRP 1192 HZ2 -0.52 0.07 -0.09 -0.04 7.44 6.87 1nd5B1 TRP 1192 HZ3 -0.08 -0.04 -0.06 -0.04 7.13 6.90 1nd5B1 TRP 1192 HH2 -0.50 -0.02 -0.07 -0.04 7.19 6.56 1nd5B1 ALA 1193 H -0.32 0.80 -0.34 -0.55 8.40 7.99 1nd5B1 ALA 1193 HA -0.21 0.05 0.75 -0.75 4.34 4.19 1nd5B1 ALA 1193 HB3 -0.41 0.01 0.07 -0.04 1.41 1.03 1nd5B1 THR 1194 H 0.10 0.22 -0.08 -0.55 8.28 7.98 1nd5B1 THR 1194 HA 0.03 0.30 0.73 -0.75 4.39 4.69 1nd5B1 THR 1194 HB 0.06 0.00 0.12 -0.04 4.32 4.46 1nd5B1 THR 1194 HG23 0.09 0.08 -0.08 -0.04 1.22 1.27 1nd5B1 GLU 1195 H 0.04 0.27 0.18 -0.55 8.60 8.53 1nd5B1 GLU 1195 HA 0.05 0.11 0.36 -0.75 4.29 4.06 1nd5B1 GLU 1195 HB2 0.03 0.08 0.16 -0.04 2.09 2.32 1nd5B1 GLU 1195 HB3 0.03 -0.02 0.10 -0.04 1.99 2.07 1nd5B1 GLU 1195 HG2 0.03 -0.01 -0.08 -0.04 2.34 2.24 1nd5B1 GLU 1195 HG3 0.04 0.03 0.07 -0.04 2.34 2.44 1nd5B1 ASP 1196 H 0.06 0.06 -0.37 -0.55 8.40 7.59 1nd5B1 ASP 1196 HA 0.03 0.14 0.50 -0.75 4.63 4.55 1nd5B1 ASP 1196 HB2 0.04 0.03 0.04 -0.04 2.71 2.78 1nd5B1 ASP 1196 HB3 0.07 -0.01 -0.00 -0.04 2.70 2.72 1nd5B1 THR 1197 H 0.12 0.19 -0.21 -0.55 8.28 7.82 1nd5B1 THR 1197 HA 0.31 0.08 0.54 -0.75 4.39 4.57 1nd5B1 THR 1197 HB 0.16 0.05 0.21 -0.04 4.32 4.71 1nd5B1 THR 1197 HG23 0.46 0.04 0.00 -0.04 1.22 1.69 1nd5B1 MET 1198 H 0.11 0.67 -0.05 -0.55 8.47 8.66 1nd5B1 MET 1198 HA 0.24 0.02 0.38 -0.75 4.52 4.41 1nd5B1 MET 1198 HB2 0.11 0.09 0.08 -0.04 2.15 2.39 1nd5B1 MET 1198 HB3 0.23 -0.01 -0.03 -0.04 2.03 2.18 1nd5B1 MET 1198 HG2 0.08 0.02 -0.18 -0.04 2.63 2.51 1nd5B1 MET 1198 HG3 0.09 0.04 -0.10 -0.04 2.56 2.55 1nd5B1 MET 1198 HE3 0.06 0.02 -0.17 -0.04 2.10 1.97 1nd5B1 THR 1199 H 0.05 0.42 -0.29 -0.55 8.28 7.92 1nd5B1 THR 1199 HA -0.02 0.00 0.39 -0.75 4.39 4.01 1nd5B1 THR 1199 HB -0.01 0.06 0.11 -0.04 4.32 4.44 1nd5B1 THR 1199 HG23 -0.02 -0.01 -0.06 -0.04 1.22 1.09 1nd5B1 LYS 1200 H -0.09 0.42 -0.27 -0.55 8.42 7.93 1nd5B1 LYS 1200 HA -0.13 0.04 0.43 -0.75 4.32 3.91 1nd5B1 LYS 1200 HB2 -0.87 0.10 0.19 -0.04 1.87 1.24 1nd5B1 LYS 1200 HB3 -1.52 -0.06 0.04 -0.04 1.79 0.21 1nd5B1 LYS 1200 HG2 -0.21 0.18 0.16 -0.04 1.46 1.55 1nd5B1 LYS 1200 HG3 -0.46 -0.08 0.06 -0.04 1.46 0.94 1nd5B1 LYS 1200 HD2 -0.46 -0.05 0.05 -0.04 1.69 1.19 1nd5B1 LYS 1200 HD3 -0.15 0.01 0.03 -0.04 1.68 1.53 1nd5B1 LYS 1200 HE2 -0.15 0.02 0.02 -0.04 2.99 2.85 1nd5B1 LYS 1200 HE3 -0.09 -0.01 0.01 -0.04 2.99 2.86 1nd5B1 LEU 1201 H -0.02 0.53 -0.18 -0.55 8.37 8.15 1nd5B1 LEU 1201 HA 0.01 0.03 0.40 -0.75 4.35 4.04 1nd5B1 LEU 1201 HB2 0.22 0.09 0.22 -0.04 1.64 2.13 1nd5B1 LEU 1201 HB3 0.23 -0.10 -0.01 -0.04 1.64 1.72 1nd5B1 LEU 1201 HG 0.39 0.24 0.04 -0.04 1.64 2.27 1nd5B1 LEU 1201 HD13 0.34 -0.03 -0.12 -0.04 0.93 1.08 1nd5B1 LEU 1201 HD23 0.38 -0.02 -0.05 -0.04 0.89 1.16 1nd5B1 ARG 1202 H -0.28 0.84 0.14 -0.55 8.46 8.60 1nd5B1 ARG 1202 HA -1.41 -0.04 0.41 -0.75 4.34 2.54 1nd5B1 ARG 1202 HB2 -0.40 0.02 0.12 -0.04 1.90 1.59 1nd5B1 ARG 1202 HB3 -0.21 0.07 0.17 -0.04 1.80 1.78 1nd5B1 ARG 1202 HG2 -0.22 0.03 -0.19 -0.04 1.67 1.25 1nd5B1 ARG 1202 HG3 -0.37 -0.08 -0.00 -0.04 1.67 1.18 1nd5B1 ARG 1202 HD2 -0.02 0.01 -0.02 -0.04 3.22 3.14 1nd5B1 ARG 1202 HD3 0.15 -0.01 -0.01 -0.04 3.22 3.31 1nd5B1 GLU 1203 H -0.25 0.61 -0.20 -0.55 8.60 8.21 1nd5B1 GLU 1203 HA -0.22 -0.01 0.41 -0.75 4.29 3.71 1nd5B1 GLU 1203 HB2 -0.25 0.14 0.06 -0.04 2.09 1.99 1nd5B1 GLU 1203 HB3 -0.14 -0.04 0.07 -0.04 1.99 1.83 1nd5B1 GLU 1203 HG2 -0.10 -0.12 0.07 -0.04 2.34 2.15 1nd5B1 GLU 1203 HG3 -0.10 0.79 0.22 -0.04 2.34 3.20 1nd5B1 LEU 1204 H -0.35 0.40 -0.45 -0.55 8.37 7.42 1nd5B1 LEU 1204 HA -0.38 0.04 0.54 -0.75 4.35 3.80 1nd5B1 LEU 1204 HB2 -0.21 0.18 0.34 -0.04 1.64 1.90 1nd5B1 LEU 1204 HB3 -0.10 -0.13 -0.02 -0.04 1.64 1.34 1nd5B1 LEU 1204 HG -0.66 0.06 0.06 -0.04 1.64 1.06 1nd5B1 LEU 1204 HD13 0.09 -0.02 -0.03 -0.04 0.93 0.93 1nd5B1 LEU 1204 HD23 -0.14 -0.02 0.04 -0.04 0.89 0.73 1nd5B1 SER 1205 H -0.42 0.55 -0.03 -0.55 8.46 8.02 1nd5B1 SER 1205 HA -0.44 -0.03 0.48 -0.75 4.49 3.75 1nd5B1 SER 1205 HB2 -0.74 0.19 0.20 -0.04 3.95 3.55 1nd5B1 SER 1205 HB3 -1.64 -0.08 0.05 -0.04 3.93 2.22 1nd5B1 GLU 1206 H -0.41 0.62 -0.06 -0.55 8.60 8.20 1nd5B1 GLU 1206 HA -0.31 -0.02 0.39 -0.75 4.29 3.60 1nd5B1 GLU 1206 HB2 -0.22 0.17 0.19 -0.04 2.09 2.19 1nd5B1 GLU 1206 HB3 -0.17 0.12 0.06 -0.04 1.99 1.96 1nd5B1 GLU 1206 HG2 -0.20 -0.11 0.11 -0.04 2.34 2.10 1nd5B1 GLU 1206 HG3 -0.31 0.09 0.08 -0.04 2.34 2.15 1nd5B1 LEU 1207 H -0.22 0.52 -0.20 -0.55 8.37 7.93 1nd5B1 LEU 1207 HA -0.04 0.01 0.35 -0.75 4.35 3.93 1nd5B1 LEU 1207 HB2 -0.10 0.03 0.09 -0.04 1.64 1.62 1nd5B1 LEU 1207 HB3 -0.14 0.07 0.15 -0.04 1.64 1.68 1nd5B1 LEU 1207 HG 0.24 -0.02 -0.25 -0.04 1.64 1.57 1nd5B1 LEU 1207 HD13 0.20 -0.01 0.03 -0.04 0.93 1.11 1nd5B1 LEU 1207 HD23 -0.08 0.00 -0.10 -0.04 0.89 0.66 1nd5B1 SER 1208 H -0.18 0.31 -0.58 -0.55 8.46 7.46 1nd5B1 SER 1208 HA 0.02 0.05 0.45 -0.75 4.49 4.25 1nd5B1 SER 1208 HB2 0.07 0.07 0.02 -0.04 3.95 4.06 1nd5B1 SER 1208 HB3 -0.11 0.09 0.18 -0.04 3.93 4.05 1nd5B1 LEU 1209 H -0.39 0.68 0.07 -0.55 8.37 8.18 1nd5B1 LEU 1209 HA -0.05 -0.01 0.39 -0.75 4.35 3.93 1nd5B1 LEU 1209 HB2 -0.67 0.00 0.10 -0.04 1.64 1.03 1nd5B1 LEU 1209 HB3 -0.20 0.08 0.12 -0.04 1.64 1.60 1nd5B1 LEU 1209 HG -0.04 -0.01 -0.19 -0.04 1.64 1.36 1nd5B1 LEU 1209 HD13 0.23 -0.02 -0.02 -0.04 0.93 1.07 1nd5B1 LEU 1209 HD23 0.05 0.01 -0.08 -0.04 0.89 0.83 1nd5B1 LEU 1210 H -0.07 0.79 -0.07 -0.55 8.37 8.48 1nd5B1 LEU 1210 HA 0.15 -0.07 0.27 -0.75 4.35 3.94 1nd5B1 LEU 1210 HB2 0.04 0.08 0.08 -0.04 1.64 1.80 1nd5B1 LEU 1210 HB3 -0.00 0.07 0.05 -0.04 1.64 1.72 1nd5B1 LEU 1210 HG 0.01 0.01 -0.06 -0.04 1.64 1.56 1nd5B1 LEU 1210 HD13 0.05 -0.01 -0.32 -0.04 0.93 0.61 1nd5B1 LEU 1210 HD23 0.12 -0.04 0.02 -0.04 0.89 0.94 1nd5B1 SER 1211 H -0.06 0.37 -0.68 -0.55 8.46 7.56 1nd5B1 SER 1211 HA -0.03 0.04 0.38 -0.75 4.49 4.13 1nd5B1 SER 1211 HB2 -0.27 -0.07 0.08 -0.04 3.95 3.65 1nd5B1 SER 1211 HB3 -0.06 0.15 0.10 -0.04 3.93 4.07 1nd5B1 LEU 1212 H -0.17 0.57 -0.24 -0.55 8.37 7.98 1nd5B1 LEU 1212 HA -0.22 0.02 0.48 -0.75 4.35 3.88 1nd5B1 LEU 1212 HB2 -0.30 0.10 0.27 -0.04 1.64 1.66 1nd5B1 LEU 1212 HB3 -1.03 -0.08 0.07 -0.04 1.64 0.57 1nd5B1 LEU 1212 HG -0.23 -0.05 0.04 -0.04 1.64 1.36 1nd5B1 LEU 1212 HD13 -0.47 -0.03 -0.00 -0.04 0.93 0.38 1nd5B1 LEU 1212 HD23 -0.32 0.00 0.01 -0.04 0.89 0.54 1nd5B1 TYR 1213 H -0.16 0.13 -0.15 -0.55 8.29 7.57 1nd5B1 TYR 1213 HA -0.04 0.23 0.85 -0.75 4.56 4.84 1nd5B1 TYR 1213 HB2 -0.07 -0.00 -0.06 -0.04 3.06 2.88 1nd5B1 TYR 1213 HB3 -0.06 -0.03 0.04 -0.04 2.98 2.89 1nd5B1 TYR 1213 HD2 -0.13 0.08 -0.16 -0.04 7.15 6.89 1nd5B1 TYR 1213 HE2 -0.13 -0.06 -0.09 -0.04 6.85 6.53 1nd5B1 GLY 1214 H 0.04 0.26 -0.12 -0.55 8.43 8.06 1nd5B1 GLY 1214 HA2 0.05 0.13 0.83 -0.51 4.01 4.50 1nd5B1 GLY 1214 HA3 0.07 -0.05 0.33 -0.51 4.01 3.85 1nd5B1 ILE 1215 H 0.05 0.12 0.03 -0.55 8.25 7.90 1nd5B1 ILE 1215 HA 0.07 -0.00 0.34 -0.75 4.18 3.83 1nd5B1 ILE 1215 HB 0.04 0.45 0.42 -0.04 1.89 2.76 1nd5B1 ILE 1215 HG12 0.06 0.00 -0.41 -0.04 1.49 1.10 1nd5B1 ILE 1215 HG13 0.07 0.05 -0.11 -0.04 1.21 1.19 1nd5B1 ILE 1215 HG23 0.14 -0.01 -0.07 -0.04 0.93 0.95 1nd5B1 ILE 1215 HD13 0.12 -0.02 -0.07 -0.04 0.88 0.87 1nd5B1 HIS 1216 H 0.11 0.68 0.11 -0.55 8.41 8.76 1nd5B1 HIS 1216 HA 0.02 0.03 0.85 -0.75 4.63 4.78 1nd5B1 HIS 1216 HB2 0.02 -0.06 0.01 -0.04 3.26 3.19 1nd5B1 HIS 1216 HB3 -0.01 0.14 0.15 -0.04 3.20 3.44 1nd5B1 HIS 1216 HD2 -0.01 0.17 -0.08 -0.04 6.97 7.01 1nd5B1 HIS 1216 HE1 0.01 -0.02 -0.00 -0.04 7.75 7.69 1nd5B1 LYS 1217 H -0.23 0.11 0.09 -0.55 8.42 7.84 1nd5B1 LYS 1217 HA -0.18 -0.04 0.30 -0.75 4.32 3.65 1nd5B1 LYS 1217 HB2 -0.38 0.25 -0.17 -0.04 1.87 1.53 1nd5B1 LYS 1217 HB3 -0.19 -0.08 0.16 -0.04 1.79 1.64 1nd5B1 LYS 1217 HG2 -0.29 -0.01 0.04 -0.04 1.46 1.15 1nd5B1 LYS 1217 HG3 -1.39 -0.06 -0.09 -0.04 1.46 -0.12 1nd5B1 LYS 1217 HD2 -0.18 0.05 -0.04 -0.04 1.69 1.47 1nd5B1 LYS 1217 HD3 -0.13 0.01 0.00 -0.04 1.68 1.52 1nd5B1 LYS 1217 HE2 -0.03 -0.01 0.01 -0.04 2.99 2.92 1nd5B1 LYS 1217 HE3 0.10 -0.03 -0.01 -0.04 2.99 3.01 1nd5B1 GLN 1218 H -0.04 0.04 -0.26 -0.55 8.47 7.67 1nd5B1 GLN 1218 HA 0.01 0.50 0.40 -0.75 4.36 4.51 1nd5B1 GLN 1218 HB2 0.02 -0.09 0.06 -0.04 2.15 2.10 1nd5B1 GLN 1218 HB3 -0.00 -0.12 0.11 -0.04 2.02 1.97 1nd5B1 GLN 1218 HG2 -0.00 0.03 -0.21 -0.04 2.40 2.19 1nd5B1 GLN 1218 HG3 0.02 0.09 -0.10 -0.04 2.39 2.36 1nd5B1 GLN 1218 HE21 0.02 -0.04 0.03 -0.04 6.97 6.94 1nd5B1 GLN 1218 HE22 -0.00 0.06 0.00 -0.04 7.69 7.71 1nd5B1 LYS 1219 H -0.02 0.04 -0.07 -0.55 8.42 7.81 1nd5B1 LYS 1219 HA -0.02 0.13 0.36 -0.75 4.32 4.04 1nd5B1 LYS 1219 HB2 -0.03 -0.12 0.10 -0.04 1.87 1.78 1nd5B1 LYS 1219 HB3 -0.02 0.07 -0.03 -0.04 1.79 1.77 1nd5B1 LYS 1219 HG2 -0.02 0.00 -0.00 -0.04 1.46 1.40 1nd5B1 LYS 1219 HG3 -0.02 0.11 -0.03 -0.04 1.46 1.47 1nd5B1 LYS 1219 HD2 -0.02 -0.03 0.01 -0.04 1.69 1.61 1nd5B1 LYS 1219 HD3 -0.02 -0.09 0.03 -0.04 1.68 1.57 1nd5B1 LYS 1219 HE2 -0.02 -0.02 -0.01 -0.04 2.99 2.90 1nd5B1 LYS 1219 HE3 -0.03 0.11 -0.03 -0.04 2.99 3.00 1nd5B1 GLU 1220 H -0.04 -0.01 -0.18 -0.55 8.60 7.82 1nd5B1 GLU 1220 HA -0.02 0.03 0.32 -0.75 4.29 3.87 1nd5B1 GLU 1220 HB2 -0.05 -0.11 0.10 -0.04 2.09 1.99 1nd5B1 GLU 1220 HB3 -0.06 0.14 0.07 -0.04 1.99 2.09 1nd5B1 GLU 1220 HG2 -0.03 0.05 -0.07 -0.04 2.34 2.25 1nd5B1 GLU 1220 HG3 -0.03 -0.00 0.07 -0.04 2.34 2.34 1nd5B1 LYS 1221 H -0.02 0.60 -0.19 -0.55 8.42 8.25 1nd5B1 LYS 1221 HA 0.03 -0.02 0.44 -0.75 4.32 4.02 1nd5B1 LYS 1221 HB2 0.04 0.26 0.26 -0.04 1.87 2.39 1nd5B1 LYS 1221 HB3 0.10 -0.12 0.04 -0.04 1.79 1.78 1nd5B1 LYS 1221 HG2 0.02 -0.13 -0.03 -0.04 1.46 1.28 1nd5B1 LYS 1221 HG3 -0.02 0.09 0.01 -0.04 1.46 1.50 1nd5B1 LYS 1221 HD2 0.03 0.11 -0.42 -0.04 1.69 1.37 1nd5B1 LYS 1221 HD3 0.04 0.12 -0.03 -0.04 1.68 1.76 1nd5B1 LYS 1221 HE2 0.01 -0.16 -0.20 -0.04 2.99 2.59 1nd5B1 LYS 1221 HE3 -0.01 0.20 -0.05 -0.04 2.99 3.09 1nd5B1 SER 1222 H 0.02 0.79 0.14 -0.55 8.46 8.86 1nd5B1 SER 1222 HA -0.02 -0.24 0.42 -0.75 4.49 3.90 1nd5B1 SER 1222 HB2 -0.01 0.26 0.26 -0.04 3.95 4.41 1nd5B1 SER 1222 HB3 -0.03 -0.09 0.10 -0.04 3.93 3.87 1nd5B1 ARG 1223 H 0.03 0.45 -0.28 -0.55 8.46 8.11 1nd5B1 ARG 1223 HA 0.07 0.34 0.34 -0.75 4.34 4.33 1nd5B1 ARG 1223 HB2 0.03 0.17 0.06 -0.04 1.90 2.12 1nd5B1 ARG 1223 HB3 0.06 -0.16 -0.09 -0.04 1.80 1.57 1nd5B1 ARG 1223 HG2 0.02 0.03 -0.14 -0.04 1.67 1.54 1nd5B1 ARG 1223 HG3 0.01 0.09 -0.01 -0.04 1.67 1.72 1nd5B1 ARG 1223 HD2 -0.00 0.01 -0.03 -0.04 3.22 3.16 1nd5B1 ARG 1223 HD3 -0.00 -0.01 0.01 -0.04 3.22 3.17 1nd5B1 LEU 1224 H 0.11 0.64 -0.15 -0.55 8.37 8.43 1nd5B1 LEU 1224 HA 0.46 0.02 0.68 -0.75 4.35 4.76 1nd5B1 LEU 1224 HB2 0.17 0.09 0.06 -0.04 1.64 1.91 1nd5B1 LEU 1224 HB3 0.19 -0.10 0.10 -0.04 1.64 1.79 1nd5B1 LEU 1224 HG 0.02 0.19 0.10 -0.04 1.64 1.91 1nd5B1 LEU 1224 HD13 -0.05 -0.01 0.01 -0.04 0.93 0.83 1nd5B1 LEU 1224 HD23 -0.19 -0.01 -0.15 -0.04 0.89 0.50 1nd5B1 GLN 1225 H 0.15 0.36 -0.22 -0.55 8.47 8.22 1nd5B1 GLN 1225 HA 0.24 0.16 1.02 -0.75 4.36 5.03 1nd5B1 GLN 1225 HB2 0.02 -0.02 0.12 -0.04 2.15 2.23 1nd5B1 GLN 1225 HB3 -0.05 -0.10 0.10 -0.04 2.02 1.92 1nd5B1 GLN 1225 HG2 0.21 0.08 -0.35 -0.04 2.40 2.30 1nd5B1 GLN 1225 HG3 0.26 0.03 -0.08 -0.04 2.39 2.56 1nd5B1 GLN 1225 HE21 0.29 0.33 0.09 -0.04 6.97 7.63 1nd5B1 GLN 1225 HE22 0.20 0.04 -0.06 -0.04 7.69 7.84 1nd5B1 GLY 1226 H -0.25 0.15 0.15 -0.55 8.43 7.93 1nd5B1 GLY 1226 HA2 -0.23 -0.06 0.20 -0.51 4.01 3.40 1nd5B1 GLY 1226 HA3 -0.27 0.32 0.21 -0.51 4.01 3.76 1nd5B1 GLY 1227 H -0.02 0.47 -0.26 -0.55 8.43 8.09 1nd5B1 GLY 1227 HA2 -0.01 -0.06 0.26 -0.51 4.01 3.69 1nd5B1 GLY 1227 HA3 0.03 0.49 0.28 -0.51 4.01 4.31 1nd5B1 VAL 1228 H 0.11 0.44 -0.19 -0.55 8.24 8.04 1nd5B1 VAL 1228 HA 0.04 0.02 0.39 -0.75 4.13 3.82 1nd5B1 VAL 1228 HB 0.22 0.01 0.06 -0.04 2.12 2.38 1nd5B1 VAL 1228 HG13 -0.08 -0.00 -0.06 -0.04 0.97 0.79 1nd5B1 VAL 1228 HG23 -0.00 0.01 0.01 -0.04 0.95 0.93 1nd5B1 LEU 1229 H 0.01 0.26 -0.19 -0.55 8.37 7.91 1nd5B1 LEU 1229 HA -0.03 -0.01 0.45 -0.75 4.35 3.99 1nd5B1 LEU 1229 HB2 -0.07 0.11 0.11 -0.04 1.64 1.75 1nd5B1 LEU 1229 HB3 -0.08 0.17 0.15 -0.04 1.64 1.84 1nd5B1 LEU 1229 HG -0.12 0.02 -0.26 -0.04 1.64 1.24 1nd5B1 LEU 1229 HD13 -0.36 -0.03 -0.04 -0.04 0.93 0.45 1nd5B1 LEU 1229 HD23 -0.14 -0.01 -0.03 -0.04 0.89 0.67 1nd5B1 VAL 1230 H -0.02 0.51 -0.08 -0.55 8.24 8.10 1nd5B1 VAL 1230 HA 0.04 -0.06 0.26 -0.75 4.13 3.62 1nd5B1 VAL 1230 HB 0.01 0.26 0.11 -0.04 2.12 2.46 1nd5B1 VAL 1230 HG13 0.06 -0.01 -0.25 -0.04 0.97 0.74 1nd5B1 VAL 1230 HG23 -0.03 0.04 -0.11 -0.04 0.95 0.81 1nd5B1 ASN 1231 H 0.03 0.65 -0.26 -0.55 8.53 8.40 1nd5B1 ASN 1231 HA 0.05 -0.01 0.38 -0.75 4.76 4.43 1nd5B1 ASN 1231 HB2 0.03 0.06 0.08 -0.04 2.88 3.00 1nd5B1 ASN 1231 HB3 0.02 0.17 0.15 -0.04 2.79 3.08 1nd5B1 ASN 1231 HD21 -0.00 -0.05 -0.04 -0.04 7.03 6.89 1nd5B1 ASN 1231 HD22 0.01 0.04 -0.01 -0.04 7.74 7.74 1nd5B1 GLU 1232 H 0.02 0.50 -0.06 -0.55 8.60 8.51 1nd5B1 GLU 1232 HA 0.02 -0.04 0.38 -0.75 4.29 3.90 1nd5B1 GLU 1232 HB2 0.03 0.01 0.16 -0.04 2.09 2.26 1nd5B1 GLU 1232 HB3 0.00 0.31 0.26 -0.04 1.99 2.53 1nd5B1 GLU 1232 HG2 0.07 -0.06 -0.07 -0.04 2.34 2.24 1nd5B1 GLU 1232 HG3 0.35 -0.01 -0.30 -0.04 2.34 2.34 1nd5B1 ILE 1233 H 0.08 0.53 -0.23 -0.55 8.25 8.08 1nd5B1 ILE 1233 HA 0.32 -0.01 0.37 -0.75 4.18 4.10 1nd5B1 ILE 1233 HB 0.13 0.17 0.03 -0.04 1.89 2.17 1nd5B1 ILE 1233 HG12 0.07 -0.04 -0.08 -0.04 1.49 1.39 1nd5B1 ILE 1233 HG13 -0.01 0.02 -0.05 -0.04 1.21 1.13 1nd5B1 ILE 1233 HG23 0.17 -0.02 -0.12 -0.04 0.93 0.92 1nd5B1 ILE 1233 HD13 -0.00 -0.02 -0.18 -0.04 0.88 0.64 1nd5B1 LEU 1234 H 0.11 0.61 -0.08 -0.55 8.37 8.46 1nd5B1 LEU 1234 HA 0.07 -0.02 0.34 -0.75 4.35 3.98 1nd5B1 LEU 1234 HB2 0.18 0.05 0.04 -0.04 1.64 1.87 1nd5B1 LEU 1234 HB3 0.07 0.09 0.17 -0.04 1.64 1.93 1nd5B1 LEU 1234 HG 0.04 -0.03 -0.21 -0.04 1.64 1.41 1nd5B1 LEU 1234 HD13 0.13 -0.03 -0.02 -0.04 0.93 0.97 1nd5B1 LEU 1234 HD23 0.11 0.00 -0.07 -0.04 0.89 0.88 1nd5B1 ASN 1235 H 0.01 0.79 -0.11 -0.55 8.53 8.68 1nd5B1 ASN 1235 HA -0.08 -0.02 0.36 -0.75 4.76 4.27 1nd5B1 ASN 1235 HB2 -0.12 0.15 0.13 -0.04 2.88 3.00 1nd5B1 ASN 1235 HB3 -0.13 -0.07 -0.03 -0.04 2.79 2.52 1nd5B1 ASN 1235 HD21 -0.04 -0.02 -0.04 -0.04 7.03 6.89 1nd5B1 ASN 1235 HD22 -0.07 -0.03 -0.03 -0.04 7.74 7.56 1nd5B1 HIS 1236 H 0.00 0.55 -0.08 -0.55 8.41 8.34 1nd5B1 HIS 1236 HA -0.12 -0.01 0.39 -0.75 4.63 4.14 1nd5B1 HIS 1236 HB2 0.18 0.10 0.14 -0.04 3.26 3.64 1nd5B1 HIS 1236 HB3 -0.19 -0.01 -0.06 -0.04 3.20 2.89 1nd5B1 HIS 1236 HD2 0.25 0.04 -0.19 -0.04 6.97 7.02 1nd5B1 HIS 1236 HE1 0.03 -0.03 -0.03 -0.04 7.75 7.68 1nd5B1 MET 1237 H -0.00 0.62 -0.23 -0.55 8.47 8.31 1nd5B1 MET 1237 HA -0.31 -0.00 0.32 -0.75 4.52 3.77 1nd5B1 MET 1237 HB2 -0.06 0.20 0.12 -0.04 2.15 2.37 1nd5B1 MET 1237 HB3 -0.10 -0.09 -0.10 -0.04 2.03 1.70 1nd5B1 MET 1237 HG2 0.28 -0.07 -0.09 -0.04 2.63 2.71 1nd5B1 MET 1237 HG3 0.15 0.21 -0.04 -0.04 2.56 2.85 1nd5B1 MET 1237 HE3 -0.39 0.00 -0.19 -0.04 2.10 1.48 1nd5B1 LYS 1238 H -0.16 0.61 -0.13 -0.55 8.42 8.19 1nd5B1 LYS 1238 HA -0.21 -0.03 0.40 -0.75 4.32 3.72 1nd5B1 LYS 1238 HB2 -0.09 0.18 0.10 -0.04 1.87 2.02 1nd5B1 LYS 1238 HB3 -0.14 0.06 0.09 -0.04 1.79 1.76 1nd5B1 LYS 1238 HG2 -0.11 -0.04 -0.03 -0.04 1.46 1.24 1nd5B1 LYS 1238 HG3 -0.10 -0.06 0.02 -0.04 1.46 1.28 1nd5B1 LYS 1238 HD2 -0.03 0.01 -0.07 -0.04 1.69 1.56 1nd5B1 LYS 1238 HD3 -0.06 -0.00 -0.05 -0.04 1.68 1.53 1nd5B1 LYS 1238 HE2 -0.05 -0.02 -0.04 -0.04 2.99 2.85 1nd5B1 LYS 1238 HE3 -0.04 -0.03 -0.04 -0.04 2.99 2.83 1nd5B1 ARG 1239 H -0.35 0.73 -0.15 -0.55 8.46 8.13 1nd5B1 ARG 1239 HA -0.30 -0.04 0.47 -0.75 4.34 3.72 1nd5B1 ARG 1239 HB2 -0.48 0.16 0.22 -0.04 1.90 1.76 1nd5B1 ARG 1239 HB3 -1.01 -0.01 -0.01 -0.04 1.80 0.74 1nd5B1 ARG 1239 HG2 -0.14 -0.06 0.04 -0.04 1.67 1.47 1nd5B1 ARG 1239 HG3 -0.15 0.01 -0.01 -0.04 1.67 1.47 1nd5B1 ARG 1239 HD2 0.41 0.02 -0.01 -0.04 3.22 3.59 1nd5B1 ARG 1239 HD3 0.03 -0.05 -0.02 -0.04 3.22 3.14 1nd5B1 ALA 1240 H -0.79 0.59 -0.06 -0.55 8.40 7.59 1nd5B1 ALA 1240 HA -0.57 0.10 0.41 -0.75 4.34 3.52 1nd5B1 ALA 1240 HB3 -0.44 0.02 0.04 -0.04 1.41 0.99 1nd5B1 THR 1241 H -0.42 0.18 -0.98 -0.55 8.28 6.51 1nd5B1 THR 1241 HA -0.54 0.08 0.62 -0.75 4.39 3.79 1nd5B1 THR 1241 HB -0.46 0.14 0.12 -0.04 4.32 4.08 1nd5B1 THR 1241 HG23 -0.23 -0.02 -0.11 -0.04 1.22 0.82 1nd5B1 GLN 1242 H -0.26 0.26 0.03 -0.55 8.47 7.96 1nd5B1 GLN 1242 HA -0.10 0.13 0.86 -0.75 4.36 4.49 1nd5B1 GLN 1242 HB2 -0.12 -0.03 0.03 -0.04 2.15 1.99 1nd5B1 GLN 1242 HB3 -0.13 0.02 0.09 -0.04 2.02 1.96 1nd5B1 GLN 1242 HG2 -0.06 0.01 0.04 -0.04 2.40 2.34 1nd5B1 GLN 1242 HG3 -0.06 -0.04 0.07 -0.04 2.39 2.32 1nd5B1 GLN 1242 HE21 -0.04 -0.04 -0.01 -0.04 6.97 6.83 1nd5B1 GLN 1242 HE22 -0.05 -0.01 0.00 -0.04 7.69 7.60 1nd5B1 ILE 1243 H -0.20 0.81 0.15 -0.55 8.25 8.46 1nd5B1 ILE 1243 HA -0.03 0.17 1.09 -0.75 4.18 4.65 1nd5B1 ILE 1243 HB -0.06 0.05 0.09 -0.04 1.89 1.92 1nd5B1 ILE 1243 HG12 0.00 -0.01 -0.04 -0.04 1.49 1.40 1nd5B1 ILE 1243 HG13 -0.06 -0.09 -0.17 -0.04 1.21 0.85 1nd5B1 ILE 1243 HG23 0.14 0.06 -0.16 -0.04 0.93 0.93 1nd5B1 ILE 1243 HD13 0.07 -0.03 -0.02 -0.04 0.88 0.86 1nd5B1 PRO 1244 HA -0.00 0.09 0.38 -0.51 4.44 4.39 1nd5B1 PRO 1244 HB2 -0.00 0.00 -0.02 -0.04 2.28 2.22 1nd5B1 PRO 1244 HB3 -0.01 -0.03 0.12 -0.04 2.02 2.06 1nd5B1 PRO 1244 HG2 -0.01 -0.03 0.06 -0.04 2.03 2.01 1nd5B1 PRO 1244 HG3 -0.02 0.06 0.03 -0.04 2.03 2.05 1nd5B1 PRO 1244 HD2 -0.01 0.03 0.18 -0.04 3.68 3.85 1nd5B1 PRO 1244 HD3 -0.03 0.38 0.25 -0.04 3.65 4.22 1nd5B1 SER 1245 H 0.01 0.05 0.12 -0.55 8.46 8.09 1nd5B1 SER 1245 HA 0.01 0.06 0.34 -0.75 4.49 4.16 1nd5B1 SER 1245 HB2 -0.01 -0.07 0.10 -0.04 3.95 3.92 1nd5B1 SER 1245 HB3 -0.01 -0.03 -0.09 -0.04 3.93 3.76 1nd5B1 TYR 1246 H 0.14 0.06 -0.35 -0.55 8.29 7.59 1nd5B1 TYR 1246 HA -0.03 -0.02 0.54 -0.75 4.56 4.30 1nd5B1 TYR 1246 HB2 -0.06 0.21 0.05 -0.04 3.06 3.21 1nd5B1 TYR 1246 HB3 -0.03 0.08 0.05 -0.04 2.98 3.04 1nd5B1 TYR 1246 HD2 -0.06 0.18 -0.01 -0.04 7.15 7.22 1nd5B1 TYR 1246 HE2 -0.16 -0.05 -0.02 -0.04 6.85 6.58 1nd5B1 LYS 1247 H -0.64 -0.04 0.14 -0.55 8.42 7.32 1nd5B1 LYS 1247 HA -0.02 0.23 0.58 -0.75 4.32 4.36 1nd5B1 LYS 1247 HB2 -0.25 -0.12 0.10 -0.04 1.87 1.56 1nd5B1 LYS 1247 HB3 0.26 -0.05 -0.11 -0.04 1.79 1.84 1nd5B1 LYS 1247 HG2 0.04 -0.13 -0.15 -0.04 1.46 1.18 1nd5B1 LYS 1247 HG3 -0.01 0.15 -0.39 -0.04 1.46 1.16 1nd5B1 LYS 1247 HD2 -0.20 0.10 -0.01 -0.04 1.69 1.54 1nd5B1 LYS 1247 HD3 -0.25 -0.12 -0.04 -0.04 1.68 1.23 1nd5B1 LYS 1247 HE2 0.07 -0.11 -0.28 -0.04 2.99 2.63 1nd5B1 LYS 1247 HE3 -0.01 0.17 -0.23 -0.04 2.99 2.87 1nd5B1 LYS 1248 H 0.06 0.68 0.44 -0.55 8.42 9.05 1nd5B1 LYS 1248 HA 0.27 0.32 0.97 -0.75 4.32 5.13 1nd5B1 LYS 1248 HB2 -0.12 -0.12 0.12 -0.04 1.87 1.71 1nd5B1 LYS 1248 HB3 -0.45 -0.05 -0.07 -0.04 1.79 1.19 1nd5B1 LYS 1248 HG2 -0.09 0.13 -0.09 -0.04 1.46 1.36 1nd5B1 LYS 1248 HG3 -0.25 -0.09 0.02 -0.04 1.46 1.09 1nd5B1 LYS 1248 HD2 -1.67 -0.05 -0.03 -0.04 1.69 -0.11 1nd5B1 LYS 1248 HD3 -0.29 0.16 0.06 -0.04 1.68 1.57 1nd5B1 LYS 1248 HE2 -0.34 -0.00 0.07 -0.04 2.99 2.68 1nd5B1 LYS 1248 HE3 -0.17 -0.05 0.03 -0.04 2.99 2.75 1nd5B1 LEU 1249 H 0.05 0.31 0.23 -0.55 8.37 8.40 1nd5B1 LEU 1249 HA -0.22 0.27 0.96 -0.75 4.35 4.60 1nd5B1 LEU 1249 HB2 0.07 0.06 -0.14 -0.04 1.64 1.59 1nd5B1 LEU 1249 HB3 0.11 -0.05 0.02 -0.04 1.64 1.68 1nd5B1 LEU 1249 HG 0.08 -0.07 -0.37 -0.04 1.64 1.23 1nd5B1 LEU 1249 HD13 -0.04 -0.02 -0.14 -0.04 0.93 0.70 1nd5B1 LEU 1249 HD23 0.20 0.00 -0.13 -0.04 0.89 0.92 1nd5B1 ILE 1250 H -0.25 0.43 0.25 -0.55 8.25 8.13 1nd5B1 ILE 1250 HA -0.04 0.25 1.15 -0.75 4.18 4.79 1nd5B1 ILE 1250 HB -0.08 0.01 0.18 -0.04 1.89 1.96 1nd5B1 ILE 1250 HG12 0.05 0.04 -0.00 -0.04 1.49 1.54 1nd5B1 ILE 1250 HG13 0.12 -0.01 -0.41 -0.04 1.21 0.86 1nd5B1 ILE 1250 HG23 -0.33 -0.01 -0.14 -0.04 0.93 0.41 1nd5B1 ILE 1250 HD13 -0.13 -0.01 -0.07 -0.04 0.88 0.63 1nd5B1 MET 1251 H -0.11 0.48 0.32 -0.55 8.47 8.62 1nd5B1 MET 1251 HA -0.13 0.22 1.08 -0.75 4.52 4.93 1nd5B1 MET 1251 HB2 0.00 -0.01 0.16 -0.04 2.15 2.26 1nd5B1 MET 1251 HB3 -0.04 -0.00 -0.06 -0.04 2.03 1.90 1nd5B1 MET 1251 HG2 0.16 0.01 -0.04 -0.04 2.63 2.73 1nd5B1 MET 1251 HG3 0.09 -0.05 -0.18 -0.04 2.56 2.38 1nd5B1 MET 1251 HE3 0.44 0.00 -0.08 -0.04 2.10 2.42 1nd5B1 TYR 1252 H -0.17 0.80 0.46 -0.55 8.29 8.82 1nd5B1 TYR 1252 HA -0.07 0.22 0.93 -0.75 4.56 4.88 1nd5B1 TYR 1252 HB2 -0.10 0.02 0.29 -0.04 3.06 3.23 1nd5B1 TYR 1252 HB3 -0.04 -0.10 0.00 -0.04 2.98 2.80 1nd5B1 TYR 1252 HD2 0.03 0.02 -0.13 -0.04 7.15 7.03 1nd5B1 TYR 1252 HE2 0.09 0.00 -0.12 -0.04 6.85 6.78 1nd5B1 SER 1253 H -0.02 0.67 0.35 -0.55 8.46 8.92 1nd5B1 SER 1253 HA -0.09 0.23 0.95 -0.75 4.49 4.82 1nd5B1 SER 1253 HB2 0.21 0.04 -0.05 -0.04 3.95 4.12 1nd5B1 SER 1253 HB3 0.08 -0.02 0.21 -0.04 3.93 4.16 1nd5B1 ALA 1254 H 0.08 0.67 0.18 -0.55 8.40 8.78 1nd5B1 ALA 1254 HA -0.13 0.07 0.98 -0.75 4.34 4.50 1nd5B1 ALA 1254 HB3 0.11 -0.02 0.05 -0.04 1.41 1.52 1nd5B1 HIS 1255 H 0.18 0.14 0.20 -0.55 8.41 8.38 1nd5B1 HIS 1255 HA 0.08 0.27 1.03 -0.75 4.63 5.25 1nd5B1 HIS 1255 HB2 0.01 -0.08 0.13 -0.04 3.26 3.29 1nd5B1 HIS 1255 HB3 0.10 0.02 0.20 -0.04 3.20 3.48 1nd5B1 HIS 1255 HD2 0.04 0.09 0.05 -0.04 6.97 7.10 1nd5B1 HIS 1255 HE1 0.20 -0.02 -0.05 -0.04 7.75 7.84 1nd5B1 ASP 1256 H 0.19 0.24 0.19 -0.55 8.40 8.47 1nd5B1 ASP 1256 HA 0.12 0.15 0.56 -0.75 4.63 4.70 1nd5B1 ASP 1256 HB2 0.18 0.06 0.14 -0.04 2.71 3.05 1nd5B1 ASP 1256 HB3 0.13 0.16 0.09 -0.04 2.70 3.03 1nd5B1 THR 1257 H 0.14 0.08 -0.16 -0.55 8.28 7.78 1nd5B1 THR 1257 HA 0.16 0.16 0.54 -0.75 4.39 4.50 1nd5B1 THR 1257 HB 0.08 0.05 -0.17 -0.04 4.32 4.23 1nd5B1 THR 1257 HG23 0.10 -0.00 -0.00 -0.04 1.22 1.28 1nd5B1 THR 1258 H 0.08 0.11 -0.48 -0.55 8.28 7.44 1nd5B1 THR 1258 HA -0.08 0.15 0.58 -0.75 4.39 4.29 1nd5B1 THR 1258 HB 0.06 0.16 0.10 -0.04 4.32 4.59 1nd5B1 THR 1258 HG23 -0.01 0.01 0.01 -0.04 1.22 1.20 1nd5B1 VAL 1259 H 0.04 0.36 -0.01 -0.55 8.24 8.08 1nd5B1 VAL 1259 HA -0.06 0.12 0.33 -0.75 4.13 3.77 1nd5B1 VAL 1259 HB 0.08 -0.01 0.11 -0.04 2.12 2.27 1nd5B1 VAL 1259 HG13 0.08 0.01 -0.16 -0.04 0.97 0.86 1nd5B1 VAL 1259 HG23 0.15 0.08 -0.12 -0.04 0.95 1.02 1nd5B1 SER 1260 H -0.07 0.40 -0.26 -0.55 8.46 7.98 1nd5B1 SER 1260 HA -0.48 0.06 0.46 -0.75 4.49 3.77 1nd5B1 SER 1260 HB2 -1.07 -0.03 -0.04 -0.04 3.95 2.77 1nd5B1 SER 1260 HB3 -0.33 0.07 0.06 -0.04 3.93 3.69 1nd5B1 GLY 1261 H -0.24 0.28 -0.47 -0.55 8.43 7.45 1nd5B1 GLY 1261 HA2 -1.37 0.04 0.44 -0.51 4.01 2.60 1nd5B1 GLY 1261 HA3 -0.85 0.12 0.31 -0.51 4.01 3.08 1nd5B1 LEU 1262 H -0.27 0.55 -0.26 -0.55 8.37 7.84 1nd5B1 LEU 1262 HA -0.20 0.08 0.43 -0.75 4.35 3.91 1nd5B1 LEU 1262 HB2 -0.17 -0.01 0.08 -0.04 1.64 1.49 1nd5B1 LEU 1262 HB3 -0.24 0.10 0.13 -0.04 1.64 1.59 1nd5B1 LEU 1262 HG -0.41 0.01 -0.32 -0.04 1.64 0.88 1nd5B1 LEU 1262 HD13 -0.07 -0.01 -0.06 -0.04 0.93 0.75 1nd5B1 LEU 1262 HD23 -0.09 -0.00 -0.07 -0.04 0.89 0.68 1nd5B1 GLN 1263 H -0.29 0.46 -0.21 -0.55 8.47 7.89 1nd5B1 GLN 1263 HA -0.20 0.12 0.36 -0.75 4.36 3.90 1nd5B1 GLN 1263 HB2 -0.18 0.03 0.12 -0.04 2.15 2.07 1nd5B1 GLN 1263 HB3 -0.04 -0.10 -0.26 -0.04 2.02 1.58 1nd5B1 GLN 1263 HG2 -0.34 0.02 -0.13 -0.04 2.40 1.91 1nd5B1 GLN 1263 HG3 -0.43 0.13 0.00 -0.04 2.39 2.05 1nd5B1 GLN 1263 HE21 -2.30 -0.04 -0.11 -0.04 6.97 4.48 1nd5B1 GLN 1263 HE22 -0.37 0.02 -0.08 -0.04 7.69 7.22 1nd5B1 MET 1264 H -0.26 0.73 -0.15 -0.55 8.47 8.24 1nd5B1 MET 1264 HA 0.01 -0.05 0.43 -0.75 4.52 4.16 1nd5B1 MET 1264 HB2 -0.28 0.07 0.16 -0.04 2.15 2.06 1nd5B1 MET 1264 HB3 -0.03 0.03 -0.09 -0.04 2.03 1.90 1nd5B1 MET 1264 HG2 -0.30 0.00 0.04 -0.04 2.63 2.33 1nd5B1 MET 1264 HG3 0.07 -0.05 -0.09 -0.04 2.56 2.45 1nd5B1 MET 1264 HE3 0.13 0.00 -0.18 -0.04 2.10 2.01 1nd5B1 ALA 1265 H -0.19 0.50 -0.21 -0.55 8.40 7.95 1nd5B1 ALA 1265 HA -0.07 0.04 0.42 -0.75 4.34 3.97 1nd5B1 ALA 1265 HB3 -0.11 0.00 0.00 -0.04 1.41 1.26 1nd5B1 LEU 1266 H -0.10 0.35 -0.32 -0.55 8.37 7.76 1nd5B1 LEU 1266 HA -0.07 0.10 0.46 -0.75 4.35 4.09 1nd5B1 LEU 1266 HB2 -0.06 -0.00 0.03 -0.04 1.64 1.57 1nd5B1 LEU 1266 HB3 0.00 -0.03 -0.04 -0.04 1.64 1.53 1nd5B1 LEU 1266 HG -0.03 0.03 -0.04 -0.04 1.64 1.56 1nd5B1 LEU 1266 HD13 0.11 -0.03 -0.14 -0.04 0.93 0.83 1nd5B1 LEU 1266 HD23 0.01 0.00 -0.08 -0.04 0.89 0.79 1nd5B1 ASP 1267 H -0.04 0.09 -0.71 -0.55 8.40 7.19 1nd5B1 ASP 1267 HA 0.00 -0.03 0.31 -0.75 4.63 4.16 1nd5B1 ASP 1267 HB2 -0.03 0.04 -0.43 -0.04 2.71 2.25 1nd5B1 ASP 1267 HB3 -0.02 0.13 0.32 -0.04 2.70 3.08 1nd5B1 VAL 1268 H -0.00 0.67 0.05 -0.55 8.24 8.41 1nd5B1 VAL 1268 HA 0.02 0.25 0.82 -0.75 4.13 4.47 1nd5B1 VAL 1268 HB 0.04 -0.06 0.01 -0.04 2.12 2.07 1nd5B1 VAL 1268 HG13 0.03 0.08 -0.49 -0.04 0.97 0.55 1nd5B1 VAL 1268 HG23 0.00 -0.02 -0.21 -0.04 0.95 0.67 1nd5B1 TYR 1269 H 0.11 0.12 -0.19 -0.55 8.29 7.77 1nd5B1 TYR 1269 HA -0.11 0.04 0.37 -0.75 4.56 4.10 1nd5B1 TYR 1269 HB2 -0.07 -0.03 -0.15 -0.04 3.06 2.77 1nd5B1 TYR 1269 HB3 -0.03 0.06 -0.00 -0.04 2.98 2.96 1nd5B1 TYR 1269 HD2 -0.05 0.05 -0.02 -0.04 7.15 7.09 1nd5B1 TYR 1269 HE2 -0.00 0.12 -0.09 -0.04 6.85 6.83 1nd5B1 ASN 1270 H -0.15 0.14 0.12 -0.55 8.53 8.09 1nd5B1 ASN 1270 HA -0.14 0.25 0.62 -0.75 4.76 4.74 1nd5B1 ASN 1270 HB2 -0.09 0.02 0.16 -0.04 2.88 2.93 1nd5B1 ASN 1270 HB3 -0.02 0.11 0.07 -0.04 2.79 2.92 1nd5B1 ASN 1270 HD21 0.03 0.01 -0.05 -0.04 7.03 6.98 1nd5B1 ASN 1270 HD22 -0.05 0.05 0.00 -0.04 7.74 7.70 1nd5B1 GLY 1271 H -1.43 0.04 -0.62 -0.55 8.43 5.88 1nd5B1 GLY 1271 HA2 -0.77 -0.01 0.20 -0.51 4.01 2.93 1nd5B1 GLY 1271 HA3 -0.34 0.10 0.23 -0.51 4.01 3.49 1nd5B1 LEU 1272 H -0.41 0.01 -0.93 -0.55 8.37 6.49 1nd5B1 LEU 1272 HA -0.14 0.10 0.64 -0.75 4.35 4.19 1nd5B1 LEU 1272 HB2 -0.05 -0.05 -0.10 -0.04 1.64 1.40 1nd5B1 LEU 1272 HB3 -0.06 0.03 -0.05 -0.04 1.64 1.52 1nd5B1 LEU 1272 HG -0.13 0.24 -0.02 -0.04 1.64 1.69 1nd5B1 LEU 1272 HD13 -0.07 -0.01 -0.02 -0.04 0.93 0.78 1nd5B1 LEU 1272 HD23 -0.10 -0.01 -0.08 -0.04 0.89 0.66 1nd5B1 LEU 1273 H -0.08 0.10 0.07 -0.55 8.37 7.91 1nd5B1 LEU 1273 HA 0.06 0.07 0.38 -0.75 4.35 4.11 1nd5B1 LEU 1273 HB2 -0.08 -0.03 0.09 -0.04 1.64 1.58 1nd5B1 LEU 1273 HB3 -0.00 0.06 -0.08 -0.04 1.64 1.58 1nd5B1 LEU 1273 HG -0.28 0.00 -0.01 -0.04 1.64 1.31 1nd5B1 LEU 1273 HD13 -0.19 -0.02 -0.04 -0.04 0.93 0.64 1nd5B1 LEU 1273 HD23 -0.45 0.01 -0.13 -0.04 0.89 0.28 1nd5B1 PRO 1274 HA 0.21 0.10 0.36 -0.51 4.44 4.60 1nd5B1 PRO 1274 HB2 0.14 -0.11 0.11 -0.04 2.28 2.38 1nd5B1 PRO 1274 HB3 0.24 0.05 0.05 -0.04 2.02 2.31 1nd5B1 PRO 1274 HG2 0.13 0.03 0.17 -0.04 2.03 2.32 1nd5B1 PRO 1274 HG3 0.26 0.07 0.04 -0.04 2.03 2.37 1nd5B1 PRO 1274 HD2 0.16 -0.02 0.18 -0.04 3.68 3.95 1nd5B1 PRO 1274 HD3 0.25 0.23 0.25 -0.04 3.65 4.34 1nd5B1 PRO 1275 HA -0.09 0.03 0.44 -0.51 4.44 4.31 1nd5B1 PRO 1275 HB2 0.00 0.10 -0.05 -0.04 2.28 2.30 1nd5B1 PRO 1275 HB3 -0.00 -0.02 0.12 -0.04 2.02 2.08 1nd5B1 PRO 1275 HG2 -0.10 0.21 0.15 -0.04 2.03 2.26 1nd5B1 PRO 1275 HG3 -0.04 0.06 0.10 -0.04 2.03 2.11 1nd5B1 PRO 1275 HD2 0.00 0.01 0.16 -0.04 3.68 3.81 1nd5B1 PRO 1275 HD3 0.06 0.10 0.18 -0.04 3.65 3.95 1nd5B1 TYR 1276 H -0.03 0.06 0.12 -0.55 8.29 7.89 1nd5B1 TYR 1276 HA 0.06 0.13 0.38 -0.75 4.56 4.38 1nd5B1 TYR 1276 HB2 0.11 -0.01 0.10 -0.04 3.06 3.23 1nd5B1 TYR 1276 HB3 0.13 -0.11 0.04 -0.04 2.98 2.99 1nd5B1 TYR 1276 HD2 0.16 0.09 -0.06 -0.04 7.15 7.29 1nd5B1 TYR 1276 HE2 0.27 0.05 -0.04 -0.04 6.85 7.09 1nd5B1 ALA 1277 H 0.23 0.69 0.07 -0.55 8.40 8.85 1nd5B1 ALA 1277 HA 0.11 0.47 0.33 -0.75 4.34 4.49 1nd5B1 ALA 1277 HB3 -0.13 -0.03 -0.14 -0.04 1.41 1.07 1nd5B1 SER 1278 H 0.11 0.33 -0.54 -0.55 8.46 7.82 1nd5B1 SER 1278 HA -0.00 0.13 0.54 -0.75 4.49 4.40 1nd5B1 SER 1278 HB2 -0.02 -0.06 -0.04 -0.04 3.95 3.79 1nd5B1 SER 1278 HB3 -0.00 -0.00 0.05 -0.04 3.93 3.94 1nd5B1 CYS 1279 H 0.11 0.76 0.29 -0.55 8.50 9.10 1nd5B1 CYS 1279 HA 0.36 0.12 0.99 -0.75 4.58 5.29 1nd5B1 CYS 1279 HB2 0.21 0.09 -0.19 -0.04 2.97 3.03 1nd5B1 CYS 1279 HB3 0.17 -0.01 0.13 -0.04 2.97 3.22 1nd5B1 HIS 1280 H 0.39 0.57 0.26 -0.55 8.41 9.08 1nd5B1 HIS 1280 HA 0.34 0.16 0.92 -0.75 4.63 5.29 1nd5B1 HIS 1280 HB2 0.04 -0.07 0.09 -0.04 3.26 3.28 1nd5B1 HIS 1280 HB3 0.11 0.07 0.28 -0.04 3.20 3.62 1nd5B1 HIS 1280 HD2 0.07 -0.07 -0.11 -0.04 6.97 6.81 1nd5B1 HIS 1280 HE1 0.06 0.02 -0.16 -0.04 7.75 7.62 1nd5B1 LEU 1281 H -0.01 0.69 0.41 -0.55 8.37 8.91 1nd5B1 LEU 1281 HA 0.01 0.35 1.30 -0.75 4.35 5.26 1nd5B1 LEU 1281 HB2 0.13 0.02 -0.09 -0.04 1.64 1.66 1nd5B1 LEU 1281 HB3 0.15 -0.05 -0.14 -0.04 1.64 1.57 1nd5B1 LEU 1281 HG 0.21 -0.05 0.02 -0.04 1.64 1.78 1nd5B1 LEU 1281 HD13 0.12 0.00 -0.10 -0.04 0.93 0.91 1nd5B1 LEU 1281 HD23 0.21 0.04 -0.03 -0.04 0.89 1.06 1nd5B1 THR 1282 H -0.00 0.66 0.38 -0.55 8.28 8.78 1nd5B1 THR 1282 HA 0.03 0.24 1.06 -0.75 4.39 4.97 1nd5B1 THR 1282 HB 0.05 -0.04 0.12 -0.04 4.32 4.41 1nd5B1 THR 1282 HG23 -0.00 0.00 -0.15 -0.04 1.22 1.03 1nd5B1 GLU 1283 H 0.10 0.80 0.38 -0.55 8.60 9.34 1nd5B1 GLU 1283 HA -0.16 0.18 1.18 -0.75 4.29 4.74 1nd5B1 GLU 1283 HB2 0.21 0.02 0.13 -0.04 2.09 2.41 1nd5B1 GLU 1283 HB3 -0.49 0.04 0.01 -0.04 1.99 1.51 1nd5B1 GLU 1283 HG2 -0.20 0.04 -0.01 -0.04 2.34 2.12 1nd5B1 GLU 1283 HG3 0.03 -0.11 -0.48 -0.04 2.34 1.74 1nd5B1 LEU 1284 H -0.17 0.71 0.32 -0.55 8.37 8.68 1nd5B1 LEU 1284 HA 0.06 0.22 1.03 -0.75 4.35 4.90 1nd5B1 LEU 1284 HB2 0.08 -0.03 0.01 -0.04 1.64 1.66 1nd5B1 LEU 1284 HB3 0.11 -0.10 0.29 -0.04 1.64 1.89 1nd5B1 LEU 1284 HG 0.25 0.01 -0.28 -0.04 1.64 1.57 1nd5B1 LEU 1284 HD13 0.05 0.02 -0.11 -0.04 0.93 0.85 1nd5B1 LEU 1284 HD23 -0.10 -0.01 -0.06 -0.04 0.89 0.69 1nd5B1 TYR 1285 H 0.32 0.81 0.43 -0.55 8.29 9.30 1nd5B1 TYR 1285 HA 0.13 0.29 1.19 -0.75 4.56 5.42 1nd5B1 TYR 1285 HB2 0.13 -0.10 0.02 -0.04 3.06 3.07 1nd5B1 TYR 1285 HB3 0.06 0.05 -0.05 -0.04 2.98 3.00 1nd5B1 TYR 1285 HD2 0.06 0.07 -0.30 -0.04 7.15 6.93 1nd5B1 TYR 1285 HE2 0.05 0.00 -0.11 -0.04 6.85 6.75 1nd5B1 PHE 1286 H 0.30 0.72 0.38 -0.55 8.34 9.19 1nd5B1 PHE 1286 HA -0.21 0.23 0.97 -0.75 4.62 4.86 1nd5B1 PHE 1286 HB2 -0.28 0.03 -0.07 -0.04 3.15 2.80 1nd5B1 PHE 1286 HB3 -0.01 0.01 0.08 -0.04 3.06 3.10 1nd5B1 PHE 1286 HD2 -0.60 -0.01 -0.20 -0.04 7.28 6.43 1nd5B1 PHE 1286 HE2 -0.11 -0.01 -0.21 -0.04 7.38 7.01 1nd5B1 PHE 1286 HZ -0.05 -0.04 0.02 -0.04 7.32 7.21 1nd5B1 GLU 1287 H -0.72 0.42 0.12 -0.55 8.60 7.87 1nd5B1 GLU 1287 HA -0.44 0.27 0.88 -0.75 4.29 4.24 1nd5B1 GLU 1287 HB2 -0.18 0.03 -0.26 -0.04 2.09 1.64 1nd5B1 GLU 1287 HB3 -0.20 -0.25 0.17 -0.04 1.99 1.67 1nd5B1 GLU 1287 HG2 -0.19 -0.07 0.02 -0.04 2.34 2.07 1nd5B1 GLU 1287 HG3 -0.17 0.34 0.09 -0.04 2.34 2.56 1nd5B1 LYS 1288 H -0.18 0.18 0.11 -0.55 8.42 7.97 1nd5B1 LYS 1288 HA -0.16 0.16 0.56 -0.75 4.32 4.13 1nd5B1 LYS 1288 HB2 -0.03 -0.02 0.22 -0.04 1.87 1.99 1nd5B1 LYS 1288 HB3 -0.04 0.03 0.18 -0.04 1.79 1.92 1nd5B1 LYS 1288 HG2 -0.09 0.06 0.02 -0.04 1.46 1.41 1nd5B1 LYS 1288 HG3 -0.12 -0.01 0.07 -0.04 1.46 1.36 1nd5B1 LYS 1288 HD2 -0.04 -0.00 0.04 -0.04 1.69 1.65 1nd5B1 LYS 1288 HD3 -0.06 0.02 0.02 -0.04 1.68 1.62 1nd5B1 LYS 1288 HE2 -0.10 0.02 0.03 -0.04 2.99 2.90 1nd5B1 LYS 1288 HE3 -0.02 -0.02 0.05 -0.04 2.99 2.96 1nd5B1 GLY 1289 H -0.47 0.69 -0.01 -0.55 8.43 8.10 1nd5B1 GLY 1289 HA2 0.32 0.05 0.32 -0.51 4.01 4.19 1nd5B1 GLY 1289 HA3 0.08 0.06 0.45 -0.51 4.01 4.09 1nd5B1 GLU 1290 H -0.15 -0.06 -0.68 -0.55 8.60 7.17 1nd5B1 GLU 1290 HA 0.11 0.26 0.91 -0.75 4.29 4.81 1nd5B1 GLU 1290 HB2 0.15 -0.03 -0.09 -0.04 2.09 2.07 1nd5B1 GLU 1290 HB3 -0.11 -0.01 0.02 -0.04 1.99 1.86 1nd5B1 GLU 1290 HG2 0.05 0.04 0.04 -0.04 2.34 2.43 1nd5B1 GLU 1290 HG3 0.06 0.08 -0.31 -0.04 2.34 2.12 1nd5B1 TYR 1291 H 0.14 0.12 0.19 -0.55 8.29 8.19 1nd5B1 TYR 1291 HA 0.27 0.43 1.21 -0.75 4.56 5.72 1nd5B1 TYR 1291 HB2 -0.00 -0.12 0.13 -0.04 3.06 3.02 1nd5B1 TYR 1291 HB3 0.06 0.08 -0.01 -0.04 2.98 3.08 1nd5B1 TYR 1291 HD2 0.12 -0.02 -0.13 -0.04 7.15 7.08 1nd5B1 TYR 1291 HE2 -0.00 0.04 -0.09 -0.04 6.85 6.76 1nd5B1 PHE 1292 H 0.45 0.89 0.41 -0.55 8.34 9.54 1nd5B1 PHE 1292 HA 0.12 0.06 0.95 -0.75 4.62 5.00 1nd5B1 PHE 1292 HB2 0.12 -0.00 -0.09 -0.04 3.15 3.13 1nd5B1 PHE 1292 HB3 0.10 0.02 -0.33 -0.04 3.06 2.81 1nd5B1 PHE 1292 HD2 0.04 0.14 -0.43 -0.04 7.28 6.99 1nd5B1 PHE 1292 HE2 -0.01 -0.04 -0.13 -0.04 7.38 7.16 1nd5B1 PHE 1292 HZ -0.00 -0.01 -0.07 -0.04 7.32 7.20 1nd5B1 VAL 1293 H 0.21 1.00 0.31 -0.55 8.24 9.21 1nd5B1 VAL 1293 HA 0.10 0.30 1.08 -0.75 4.13 4.85 1nd5B1 VAL 1293 HB -0.04 -0.04 0.09 -0.04 2.12 2.09 1nd5B1 VAL 1293 HG13 -0.50 0.01 -0.17 -0.04 0.97 0.26 1nd5B1 VAL 1293 HG23 -0.30 -0.00 -0.14 -0.04 0.95 0.47 1nd5B1 GLU 1294 H 0.21 0.71 0.41 -0.55 8.60 9.39 1nd5B1 GLU 1294 HA 0.13 0.38 1.14 -0.75 4.29 5.18 1nd5B1 GLU 1294 HB2 0.56 -0.03 0.14 -0.04 2.09 2.72 1nd5B1 GLU 1294 HB3 0.44 0.03 0.01 -0.04 1.99 2.42 1nd5B1 GLU 1294 HG2 0.11 0.14 0.00 -0.04 2.34 2.54 1nd5B1 GLU 1294 HG3 0.23 -0.11 -0.28 -0.04 2.34 2.14 1nd5B1 MET 1295 H -0.04 0.36 0.30 -0.55 8.47 8.54 1nd5B1 MET 1295 HA 0.10 0.29 1.30 -0.75 4.52 5.45 1nd5B1 MET 1295 HB2 0.09 0.15 0.10 -0.04 2.15 2.45 1nd5B1 MET 1295 HB3 0.11 -0.02 0.02 -0.04 2.03 2.11 1nd5B1 MET 1295 HG2 0.13 -0.02 -0.12 -0.04 2.63 2.59 1nd5B1 MET 1295 HG3 0.20 -0.04 -0.24 -0.04 2.56 2.45 1nd5B1 MET 1295 HE3 0.19 0.02 -0.22 -0.04 2.10 2.06 1nd5B1 TYR 1296 H 0.15 0.73 0.45 -0.55 8.29 9.06 1nd5B1 TYR 1296 HA 0.16 0.25 0.97 -0.75 4.56 5.19 1nd5B1 TYR 1296 HB2 0.11 -0.05 -0.01 -0.04 3.06 3.07 1nd5B1 TYR 1296 HB3 0.14 -0.07 -0.15 -0.04 2.98 2.86 1nd5B1 TYR 1296 HD2 0.10 0.07 -0.41 -0.04 7.15 6.86 1nd5B1 TYR 1296 HE2 0.09 -0.02 -0.14 -0.04 6.85 6.74 1nd5B1 TYR 1297 H 0.41 0.61 0.21 -0.55 8.29 8.97 1nd5B1 TYR 1297 HA 0.20 0.19 1.03 -0.75 4.56 5.23 1nd5B1 TYR 1297 HB2 0.21 0.05 -0.10 -0.04 3.06 3.18 1nd5B1 TYR 1297 HB3 0.17 -0.01 0.17 -0.04 2.98 3.27 1nd5B1 TYR 1297 HD2 0.11 0.07 -0.15 -0.04 7.15 7.14 1nd5B1 TYR 1297 HE2 0.08 -0.02 -0.18 -0.04 6.85 6.69 1nd5B1 ARG 1298 H 0.25 0.81 0.23 -0.55 8.46 9.20 1nd5B1 ARG 1298 HA 0.08 0.11 0.87 -0.75 4.34 4.65 1nd5B1 ARG 1298 HB2 0.12 0.02 0.10 -0.04 1.90 2.09 1nd5B1 ARG 1298 HB3 0.10 0.04 0.29 -0.04 1.80 2.19 1nd5B1 ARG 1298 HG2 -0.07 -0.09 -0.16 -0.04 1.67 1.31 1nd5B1 ARG 1298 HG3 -0.09 0.12 -0.06 -0.04 1.67 1.60 1nd5B1 ARG 1298 HD2 -0.13 0.01 0.01 -0.04 3.22 3.06 1nd5B1 ARG 1298 HD3 -0.03 -0.02 -0.01 -0.04 3.22 3.12 1nd5B1 ASN 1299 H -0.17 0.30 0.01 -0.55 8.53 8.12 1nd5B1 ASN 1299 HA -0.19 0.19 0.89 -0.75 4.76 4.90 1nd5B1 ASN 1299 HB2 -0.31 0.01 0.16 -0.04 2.88 2.70 1nd5B1 ASN 1299 HB3 -1.15 -0.03 -0.15 -0.04 2.79 1.41 1nd5B1 ASN 1299 HD21 -0.33 0.02 -0.04 -0.04 7.03 6.64 1nd5B1 ASN 1299 HD22 -0.25 -0.02 -0.04 -0.04 7.74 7.39 1nd5B1 GLU 1300 H -0.06 0.20 -0.28 -0.55 8.60 7.90 1nd5B1 GLU 1300 HA -0.04 0.01 0.36 -0.75 4.29 3.87 1nd5B1 GLU 1300 HB2 -0.01 -0.11 -0.02 -0.04 2.09 1.91 1nd5B1 GLU 1300 HB3 -0.01 0.18 0.23 -0.04 1.99 2.35 1nd5B1 GLU 1300 HG2 0.02 -0.15 -0.61 -0.04 2.34 1.56 1nd5B1 GLU 1300 HG3 0.23 0.03 -0.12 -0.04 2.34 2.43 1nd5B1 THR 1301 H -0.07 0.15 0.08 -0.55 8.28 7.90 1nd5B1 THR 1301 HA -0.18 0.18 0.46 -0.75 4.39 4.10 1nd5B1 THR 1301 HB -0.10 0.06 0.02 -0.04 4.32 4.26 1nd5B1 THR 1301 HG23 -0.09 0.01 -0.01 -0.04 1.22 1.09 1nd5B1 GLN 1302 H -0.13 -0.02 -0.23 -0.55 8.47 7.55 1nd5B1 GLN 1302 HA -0.18 0.07 0.33 -0.75 4.36 3.82 1nd5B1 GLN 1302 HB2 -0.30 -0.03 -0.03 -0.04 2.15 1.76 1nd5B1 GLN 1302 HB3 -0.51 0.02 0.05 -0.04 2.02 1.53 1nd5B1 GLN 1302 HG2 -0.13 0.03 0.02 -0.04 2.40 2.28 1nd5B1 GLN 1302 HG3 -0.11 -0.05 0.01 -0.04 2.39 2.19 1nd5B1 GLN 1302 HE21 -0.03 -0.00 -0.00 -0.04 6.97 6.89 1nd5B1 GLN 1302 HE22 -0.06 0.01 0.00 -0.04 7.69 7.60 1nd5B1 HIS 1303 H -0.08 0.34 -0.64 -0.55 8.41 7.49 1nd5B1 HIS 1303 HA -0.05 0.12 0.62 -0.75 4.63 4.56 1nd5B1 HIS 1303 HB2 0.03 -0.02 -0.12 -0.04 3.26 3.11 1nd5B1 HIS 1303 HB3 -0.10 -0.01 0.10 -0.04 3.20 3.14 1nd5B1 HIS 1303 HD2 0.10 -0.03 -0.14 -0.04 6.97 6.86 1nd5B1 HIS 1303 HE1 -0.01 -0.05 0.00 -0.04 7.75 7.66 1nd5B1 GLU 1304 H 0.02 0.07 0.11 -0.55 8.60 8.26 1nd5B1 GLU 1304 HA -0.04 0.14 0.61 -0.75 4.29 4.24 1nd5B1 GLU 1304 HB2 0.00 0.09 0.02 -0.04 2.09 2.16 1nd5B1 GLU 1304 HB3 0.00 -0.01 0.07 -0.04 1.99 2.01 1nd5B1 GLU 1304 HG2 -0.03 -0.05 0.09 -0.04 2.34 2.31 1nd5B1 GLU 1304 HG3 -0.09 -0.02 0.08 -0.04 2.34 2.26 1nd5B1 PRO 1305 HA 0.20 -0.00 0.28 -0.51 4.44 4.40 1nd5B1 PRO 1305 HB2 0.17 0.03 -0.08 -0.04 2.28 2.36 1nd5B1 PRO 1305 HB3 0.25 -0.06 -0.19 -0.04 2.02 1.98 1nd5B1 PRO 1305 HG2 0.16 0.05 0.01 -0.04 2.03 2.20 1nd5B1 PRO 1305 HG3 0.10 0.01 0.05 -0.04 2.03 2.16 1nd5B1 PRO 1305 HD2 0.06 0.09 0.13 -0.04 3.68 3.92 1nd5B1 PRO 1305 HD3 -0.02 0.17 0.23 -0.04 3.65 3.99 1nd5B1 TYR 1306 H 0.49 0.51 0.26 -0.55 8.29 9.00 1nd5B1 TYR 1306 HA 0.11 0.17 0.61 -0.75 4.56 4.70 1nd5B1 TYR 1306 HB2 0.17 -0.01 0.24 -0.04 3.06 3.42 1nd5B1 TYR 1306 HB3 0.11 0.06 -0.02 -0.04 2.98 3.09 1nd5B1 TYR 1306 HD2 0.04 0.01 0.08 -0.04 7.15 7.24 1nd5B1 TYR 1306 HE2 0.03 -0.04 -0.05 -0.04 6.85 6.75 1nd5B1 PRO 1307 HA -0.35 0.16 0.62 -0.51 4.44 4.36 1nd5B1 PRO 1307 HB2 -0.02 -0.04 0.14 -0.04 2.28 2.32 1nd5B1 PRO 1307 HB3 -0.13 0.04 0.08 -0.04 2.02 1.97 1nd5B1 PRO 1307 HG2 0.03 -0.02 0.10 -0.04 2.03 2.09 1nd5B1 PRO 1307 HG3 0.17 0.09 0.06 -0.04 2.03 2.31 1nd5B1 PRO 1307 HD2 0.04 0.03 0.23 -0.04 3.68 3.94 1nd5B1 PRO 1307 HD3 -0.01 0.22 0.32 -0.04 3.65 4.14 1nd5B1 LEU 1308 H -0.14 0.58 0.33 -0.55 8.37 8.59 1nd5B1 LEU 1308 HA 0.06 0.09 0.75 -0.75 4.35 4.49 1nd5B1 LEU 1308 HB2 0.08 -0.05 -0.11 -0.04 1.64 1.52 1nd5B1 LEU 1308 HB3 0.09 0.05 -0.10 -0.04 1.64 1.63 1nd5B1 LEU 1308 HG 0.21 -0.03 -0.21 -0.04 1.64 1.57 1nd5B1 LEU 1308 HD13 0.18 -0.02 -0.20 -0.04 0.93 0.86 1nd5B1 LEU 1308 HD23 0.20 0.02 -0.19 -0.04 0.89 0.87 1nd5B1 MET 1309 H 0.03 0.18 0.13 -0.55 8.47 8.27 1nd5B1 MET 1309 HA 0.03 0.15 0.81 -0.75 4.52 4.75 1nd5B1 MET 1309 HB2 0.01 -0.04 -0.09 -0.04 2.15 1.98 1nd5B1 MET 1309 HB3 0.02 -0.04 0.04 -0.04 2.03 2.00 1nd5B1 MET 1309 HG2 0.02 0.25 -0.22 -0.04 2.63 2.65 1nd5B1 MET 1309 HG3 0.03 -0.07 -0.20 -0.04 2.56 2.27 1nd5B1 MET 1309 HE3 0.01 -0.02 -0.02 -0.04 2.10 2.03 1nd5B1 LEU 1310 H 0.05 0.17 0.03 -0.55 8.37 8.09 1nd5B1 LEU 1310 HA 0.00 0.24 0.51 -0.75 4.35 4.36 1nd5B1 LEU 1310 HB2 0.05 -0.05 0.01 -0.04 1.64 1.61 1nd5B1 LEU 1310 HB3 -0.02 -0.09 -0.10 -0.04 1.64 1.39 1nd5B1 LEU 1310 HG -0.13 0.13 -0.08 -0.04 1.64 1.52 1nd5B1 LEU 1310 HD13 -0.06 0.01 -0.03 -0.04 0.93 0.80 1nd5B1 LEU 1310 HD23 -0.49 -0.04 -0.09 -0.04 0.89 0.24 1nd5B1 PRO 1311 HA 0.00 -0.06 0.53 -0.51 4.44 4.40 1nd5B1 PRO 1311 HB2 -0.01 -0.04 0.05 -0.04 2.28 2.23 1nd5B1 PRO 1311 HB3 -0.00 0.02 0.13 -0.04 2.02 2.12 1nd5B1 PRO 1311 HG2 -0.03 -0.00 0.16 -0.04 2.03 2.12 1nd5B1 PRO 1311 HG3 -0.01 0.05 0.16 -0.04 2.03 2.19 1nd5B1 PRO 1311 HD2 -0.03 0.22 0.26 -0.04 3.68 4.08 1nd5B1 PRO 1311 HD3 -0.00 0.30 0.25 -0.04 3.65 4.16 1nd5B1 GLY 1312 H 0.00 0.11 0.23 -0.55 8.43 8.22 1nd5B1 GLY 1312 HA2 0.00 -0.06 0.31 -0.51 4.01 3.75 1nd5B1 GLY 1312 HA3 -0.01 0.18 0.76 -0.51 4.01 4.43 1nd5B1 CYS 1313 H 0.01 0.47 0.13 -0.55 8.50 8.56 1nd5B1 CYS 1313 HA 0.04 0.03 0.68 -0.75 4.58 4.58 1nd5B1 CYS 1313 HB2 0.02 0.02 -0.43 -0.04 2.97 2.54 1nd5B1 CYS 1313 HB3 0.06 0.08 -0.11 -0.04 2.97 2.96 1nd5B1 SER 1314 H 0.07 0.07 0.09 -0.55 8.46 8.14 1nd5B1 SER 1314 HA 0.04 0.11 0.45 -0.75 4.49 4.34 1nd5B1 SER 1314 HB2 0.03 0.01 0.13 -0.04 3.95 4.09 1nd5B1 SER 1314 HB3 0.06 -0.02 0.12 -0.04 3.93 4.05 1nd5B1 PRO 1315 HA 0.01 0.13 0.45 -0.51 4.44 4.52 1nd5B1 PRO 1315 HB2 -0.00 -0.01 -0.00 -0.04 2.28 2.22 1nd5B1 PRO 1315 HB3 -0.04 0.07 0.05 -0.04 2.02 2.06 1nd5B1 PRO 1315 HG2 -0.00 0.03 0.06 -0.04 2.03 2.08 1nd5B1 PRO 1315 HG3 0.00 0.08 0.05 -0.04 2.03 2.12 1nd5B1 PRO 1315 HD2 0.02 0.07 0.18 -0.04 3.68 3.90 1nd5B1 PRO 1315 HD3 0.02 0.11 0.22 -0.04 3.65 3.96 1nd5B1 SER 1316 H 0.05 0.07 -0.32 -0.55 8.46 7.72 1nd5B1 SER 1316 HA 0.13 0.24 0.70 -0.75 4.49 4.82 1nd5B1 SER 1316 HB2 -0.04 0.02 -0.05 -0.04 3.95 3.84 1nd5B1 SER 1316 HB3 -0.03 -0.06 0.11 -0.04 3.93 3.91 1nd5B1 CYS 1317 H 0.22 0.72 0.07 -0.55 8.50 8.96 1nd5B1 CYS 1317 HA 0.22 0.09 0.68 -0.75 4.58 4.81 1nd5B1 CYS 1317 HB2 0.21 0.22 0.01 -0.04 2.97 3.37 1nd5B1 CYS 1317 HB3 0.35 -0.03 0.10 -0.04 2.97 3.36 1nd5B1 PRO 1318 HA -0.64 0.26 0.75 -0.51 4.44 4.30 1nd5B1 PRO 1318 HB2 -0.24 -0.09 0.11 -0.04 2.28 2.03 1nd5B1 PRO 1318 HB3 -0.61 0.09 0.14 -0.04 2.02 1.60 1nd5B1 PRO 1318 HG2 0.01 -0.14 0.23 -0.04 2.03 2.08 1nd5B1 PRO 1318 HG3 0.03 0.09 0.15 -0.04 2.03 2.26 1nd5B1 PRO 1318 HD2 0.14 0.07 0.31 -0.04 3.68 4.15 1nd5B1 PRO 1318 HD3 0.29 0.26 0.27 -0.04 3.65 4.42 1nd5B1 LEU 1319 H -0.14 0.70 0.28 -0.55 8.37 8.66 1nd5B1 LEU 1319 HA 0.04 0.05 0.25 -0.75 4.35 3.95 1nd5B1 LEU 1319 HB2 0.02 0.06 -0.02 -0.04 1.64 1.66 1nd5B1 LEU 1319 HB3 -0.01 -0.05 0.08 -0.04 1.64 1.62 1nd5B1 LEU 1319 HG -0.02 -0.02 -0.18 -0.04 1.64 1.38 1nd5B1 LEU 1319 HD13 -0.05 -0.01 -0.06 -0.04 0.93 0.77 1nd5B1 LEU 1319 HD23 -0.14 0.02 -0.11 -0.04 0.89 0.62 1nd5B1 GLU 1320 H -0.04 0.09 -0.24 -0.55 8.60 7.87 1nd5B1 GLU 1320 HA 0.02 0.09 0.39 -0.75 4.29 4.04 1nd5B1 GLU 1320 HB2 -0.02 -0.04 0.08 -0.04 2.09 2.06 1nd5B1 GLU 1320 HB3 0.00 0.03 -0.03 -0.04 1.99 1.95 1nd5B1 GLU 1320 HG2 -0.01 -0.02 0.05 -0.04 2.34 2.32 1nd5B1 GLU 1320 HG3 -0.00 0.02 0.02 -0.04 2.34 2.34 1nd5B1 ARG 1321 H 0.01 0.22 -0.10 -0.55 8.46 8.04 1nd5B1 ARG 1321 HA 0.02 0.03 0.45 -0.75 4.34 4.09 1nd5B1 ARG 1321 HB2 0.03 -0.07 0.15 -0.04 1.90 1.96 1nd5B1 ARG 1321 HB3 0.07 0.08 0.15 -0.04 1.80 2.05 1nd5B1 ARG 1321 HG2 0.05 -0.03 0.07 -0.04 1.67 1.71 1nd5B1 ARG 1321 HG3 0.03 0.03 -0.17 -0.04 1.67 1.52 1nd5B1 ARG 1321 HD2 0.01 -0.05 0.10 -0.04 3.22 3.24 1nd5B1 ARG 1321 HD3 0.02 -0.06 0.06 -0.04 3.22 3.20 1nd5B1 PHE 1322 H 0.19 0.56 -0.22 -0.55 8.34 8.33 1nd5B1 PHE 1322 HA 0.02 0.03 0.25 -0.75 4.62 4.17 1nd5B1 PHE 1322 HB2 0.04 -0.01 -0.17 -0.04 3.15 2.96 1nd5B1 PHE 1322 HB3 0.02 0.09 0.00 -0.04 3.06 3.13 1nd5B1 PHE 1322 HD2 0.04 0.02 -0.24 -0.04 7.28 7.06 1nd5B1 PHE 1322 HE2 0.06 0.01 -0.14 -0.04 7.38 7.27 1nd5B1 PHE 1322 HZ 0.07 -0.01 -0.12 -0.04 7.32 7.22 1nd5B1 ALA 1323 H 0.20 0.66 -0.16 -0.55 8.40 8.56 1nd5B1 ALA 1323 HA 0.15 0.00 0.30 -0.75 4.34 4.04 1nd5B1 ALA 1323 HB3 0.07 0.01 0.05 -0.04 1.41 1.50 1nd5B1 GLU 1324 H 0.02 0.39 -0.27 -0.55 8.60 8.20 1nd5B1 GLU 1324 HA -0.01 -0.00 0.42 -0.75 4.29 3.95 1nd5B1 GLU 1324 HB2 0.00 0.12 0.18 -0.04 2.09 2.36 1nd5B1 GLU 1324 HB3 -0.01 0.06 0.18 -0.04 1.99 2.18 1nd5B1 GLU 1324 HG2 -0.01 0.01 -0.09 -0.04 2.34 2.21 1nd5B1 GLU 1324 HG3 -0.00 -0.05 0.04 -0.04 2.34 2.28 1nd5B1 LEU 1325 H -0.06 0.56 0.01 -0.55 8.37 8.33 1nd5B1 LEU 1325 HA -0.05 -0.01 0.41 -0.75 4.35 3.94 1nd5B1 LEU 1325 HB2 -0.17 0.05 0.07 -0.04 1.64 1.55 1nd5B1 LEU 1325 HB3 -0.10 0.05 -0.03 -0.04 1.64 1.52 1nd5B1 LEU 1325 HG -0.04 0.06 0.04 -0.04 1.64 1.67 1nd5B1 LEU 1325 HD13 -0.04 0.09 -0.31 -0.04 0.93 0.63 1nd5B1 LEU 1325 HD23 -0.03 -0.01 0.03 -0.04 0.89 0.84 1nd5B1 VAL 1326 H -0.20 0.52 -0.17 -0.55 8.24 7.84 1nd5B1 VAL 1326 HA -0.13 0.09 0.45 -0.75 4.13 3.78 1nd5B1 VAL 1326 HB -0.52 0.01 0.02 -0.04 2.12 1.59 1nd5B1 VAL 1326 HG13 -0.04 0.02 -0.15 -0.04 0.97 0.76 1nd5B1 VAL 1326 HG23 -0.09 -0.02 -0.07 -0.04 0.95 0.73 1nd5B1 GLY 1327 H -0.05 0.31 -0.52 -0.55 8.43 7.63 1nd5B1 GLY 1327 HA2 -0.00 -0.06 0.31 -0.51 4.01 3.75 1nd5B1 GLY 1327 HA3 -0.01 0.05 0.32 -0.51 4.01 3.86 1nd5B1 PRO 1328 HA -0.01 0.04 0.46 -0.51 4.44 4.42 1nd5B1 PRO 1328 HB2 -0.02 -0.06 0.01 -0.04 2.28 2.17 1nd5B1 PRO 1328 HB3 -0.02 -0.05 0.08 -0.04 2.02 1.99 1nd5B1 PRO 1328 HG2 -0.03 0.07 -0.04 -0.04 2.03 1.99 1nd5B1 PRO 1328 HG3 -0.03 -0.02 0.06 -0.04 2.03 2.00 1nd5B1 PRO 1328 HD2 -0.04 0.19 -0.48 -0.04 3.68 3.30 1nd5B1 PRO 1328 HD3 -0.02 0.06 0.07 -0.04 3.65 3.72 1nd5B1 VAL 1329 H -0.02 0.57 -0.41 -0.55 8.24 7.83 1nd5B1 VAL 1329 HA -0.00 0.13 0.83 -0.75 4.13 4.33 1nd5B1 VAL 1329 HB -0.01 -0.18 0.03 -0.04 2.12 1.92 1nd5B1 VAL 1329 HG13 -0.03 0.05 -0.02 -0.04 0.97 0.93 1nd5B1 VAL 1329 HG23 -0.03 0.08 -0.10 -0.04 0.95 0.86 1nd5B1 ILE 1330 H 0.01 0.48 -0.21 -0.55 8.25 7.98 1nd5B1 ILE 1330 HA 0.04 0.14 0.78 -0.75 4.18 4.39 1nd5B1 ILE 1330 HB 0.02 0.15 0.17 -0.04 1.89 2.19 1nd5B1 ILE 1330 HG12 0.03 0.02 -0.12 -0.04 1.49 1.38 1nd5B1 ILE 1330 HG13 0.01 0.07 -0.21 -0.04 1.21 1.04 1nd5B1 ILE 1330 HG23 0.03 -0.02 -0.15 -0.04 0.93 0.74 1nd5B1 ILE 1330 HD13 0.03 -0.03 -0.14 -0.04 0.88 0.70 1nd5B1 PRO 1331 HA 0.05 0.01 0.46 -0.51 4.44 4.46 1nd5B1 PRO 1331 HB2 0.17 -0.27 -0.05 -0.04 2.28 2.09 1nd5B1 PRO 1331 HB3 0.14 0.14 0.03 -0.04 2.02 2.29 1nd5B1 PRO 1331 HG2 0.13 -0.09 0.09 -0.04 2.03 2.12 1nd5B1 PRO 1331 HG3 0.27 0.17 0.14 -0.04 2.03 2.57 1nd5B1 PRO 1331 HD2 0.07 0.03 0.15 -0.04 3.68 3.89 1nd5B1 PRO 1331 HD3 0.10 0.40 0.24 -0.04 3.65 4.36 1nd5B1 GLN 1332 H 0.04 0.09 0.15 -0.55 8.47 8.20 1nd5B1 GLN 1332 HA 0.03 0.21 0.65 -0.75 4.36 4.49 1nd5B1 GLN 1332 HB2 0.02 -0.05 0.02 -0.04 2.15 2.09 1nd5B1 GLN 1332 HB3 0.01 0.01 0.07 -0.04 2.02 2.07 1nd5B1 GLN 1332 HG2 0.01 -0.01 0.07 -0.04 2.40 2.43 1nd5B1 GLN 1332 HG3 0.01 -0.02 0.02 -0.04 2.39 2.36 1nd5B1 GLN 1332 HE21 0.01 0.06 -0.07 -0.04 6.97 6.92 1nd5B1 GLN 1332 HE22 0.01 -0.07 -0.00 -0.04 7.69 7.58 1nd5B1 ASP 1333 H 0.05 0.06 -0.09 -0.55 8.40 7.86 1nd5B1 ASP 1333 HA 0.08 0.20 0.56 -0.75 4.63 4.72 1nd5B1 ASP 1333 HB2 0.02 0.16 -0.16 -0.04 2.71 2.69 1nd5B1 ASP 1333 HB3 0.01 -0.02 0.12 -0.04 2.70 2.77 1nd5B1 TRP 1334 H 0.25 0.30 -0.10 -0.55 7.97 7.87 1nd5B1 TRP 1334 HA -0.01 0.11 0.31 -0.75 4.62 4.28 1nd5B1 TRP 1334 HB2 -0.04 0.11 0.11 -0.04 3.23 3.36 1nd5B1 TRP 1334 HB3 -0.06 -0.11 0.11 -0.04 3.23 3.13 1nd5B1 TRP 1334 HD1 0.02 0.15 0.11 -0.04 7.22 7.46 1nd5B1 TRP 1334 HE1 0.12 0.42 0.17 -0.04 10.20 10.86 1nd5B1 TRP 1334 HE3 -0.08 -0.14 -0.07 -0.04 7.59 7.26 1nd5B1 TRP 1334 HZ2 0.03 -0.01 -0.12 -0.04 7.44 7.29 1nd5B1 TRP 1334 HZ3 -0.07 -0.01 0.00 -0.04 7.13 7.00 1nd5B1 TRP 1334 HH2 -0.05 0.02 -0.14 -0.04 7.19 6.98 1nd5B1 SER 1335 H 0.37 0.10 -0.15 -0.55 8.46 8.23 1nd5B1 SER 1335 HA -0.13 0.10 0.36 -0.75 4.49 4.07 1nd5B1 SER 1335 HB2 0.09 -0.05 0.05 -0.04 3.95 3.99 1nd5B1 SER 1335 HB3 0.06 0.03 0.01 -0.04 3.93 3.99 1nd5B1 THR 1336 H -0.02 0.20 -0.20 -0.55 8.28 7.70 1nd5B1 THR 1336 HA -0.08 0.06 0.58 -0.75 4.39 4.19 1nd5B1 THR 1336 HB -0.03 0.09 0.13 -0.04 4.32 4.47 1nd5B1 THR 1336 HG23 -0.04 -0.00 -0.06 -0.04 1.22 1.08 1nd5B1 GLU 1337 H -0.13 0.48 -0.00 -0.55 8.60 8.41 1nd5B1 GLU 1337 HA -0.10 0.04 0.44 -0.75 4.29 3.92 1nd5B1 GLU 1337 HB2 -0.18 0.08 -0.02 -0.04 2.09 1.94 1nd5B1 GLU 1337 HB3 -0.09 -0.00 0.11 -0.04 1.99 1.97 1nd5B1 GLU 1337 HG2 -0.04 -0.03 -0.03 -0.04 2.34 2.20 1nd5B1 GLU 1337 HG3 -0.04 0.16 -0.28 -0.04 2.34 2.13 1nd5B1 CYS 1338 H -0.32 0.18 -0.81 -0.55 8.50 7.00 1nd5B1 CYS 1338 HA -0.32 0.05 0.72 -0.75 4.58 4.27 1nd5B1 CYS 1338 HB2 -0.58 0.29 0.15 -0.04 2.97 2.78 1nd5B1 CYS 1338 HB3 -0.43 -0.16 0.09 -0.04 2.97 2.44 1nd5B1 MET 1339 H -0.15 0.32 -0.05 -0.55 8.47 8.04 1nd5B1 MET 1339 HA -0.09 0.01 0.48 -0.75 4.52 4.17 1nd5B1 MET 1339 HB2 -0.06 0.06 0.08 -0.04 2.15 2.18 1nd5B1 MET 1339 HB3 -0.05 -0.09 0.16 -0.04 2.03 2.01 1nd5B1 MET 1339 HG2 -0.09 -0.01 0.10 -0.04 2.63 2.59 1nd5B1 MET 1339 HG3 -0.10 0.14 0.32 -0.04 2.56 2.89 1nd5B1 MET 1339 HE3 -0.03 -0.01 0.01 -0.04 2.10 2.03 1nd5B1 THR 1340 H -0.04 0.10 0.03 -0.55 8.28 7.82 1nd5B1 THR 1340 HA -0.04 0.09 0.34 -0.75 4.39 4.03 1nd5B1 THR 1340 HB -0.05 0.28 -0.12 -0.04 4.32 4.39 1nd5B1 THR 1340 HG23 -0.03 0.04 -0.11 -0.04 1.22 1.07 1nd5B1 THR 1341 H -0.02 0.16 0.02 -0.55 8.28 7.89 1nd5B1 THR 1341 HA -0.02 0.27 0.77 -0.75 4.39 4.66 1nd5B1 THR 1341 HB -0.01 0.04 -0.04 -0.04 4.32 4.26 1nd5B1 THR 1341 HG23 -0.01 0.01 0.05 -0.04 1.22 1.22