============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 10 0.840 54.733 66.160 79.981 -99.200 -91.000 HIS 18 0.900 46.524 61.198 76.126 -99.200 -91.000 HIS 35 0.900 48.803 64.442 51.819 -99.200 -91.000 HIS 44 0.900 51.255 43.605 67.148 -99.200 -91.000 HIS 63 0.900 66.315 70.957 60.163 -99.200 -91.000 TYR 98 0.840 64.110 55.375 54.198 -99.200 -91.000 PHE 102 1.000 64.107 56.980 69.447 -99.200 -91.000 HIS 127 0.900 54.515 46.783 67.621 -99.200 -91.000 PHE 128 1.000 52.003 53.080 71.649 -99.200 -91.000 TRP 129 1.040 56.302 45.953 72.663 -99.200 -91.000 TRP6 129 1.020 57.161 46.610 70.560 -99.200 -91.000 PHE 134 1.000 57.235 55.773 82.883 -99.200 -91.000 PHE 135 1.000 50.849 54.428 80.683 -99.200 -91.000 PHE 140 1.000 47.182 50.118 74.454 -99.200 -91.000 HIS 147 0.900 32.670 52.326 73.010 -99.200 -91.000 PHE 163 1.000 41.031 47.082 68.092 -99.200 -91.000 TRP 174 1.040 34.025 50.169 62.791 -99.200 -91.000 TRP6 174 1.020 36.027 49.977 64.026 -99.200 -91.000 TYR 176 0.840 30.927 55.367 59.933 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1s14B1 GLU 2017 HA -0.02 0.02 0.23 -0.75 4.29 3.76 1s14B1 GLU 2017 HB2 -0.01 -0.00 0.06 -0.04 2.09 2.10 1s14B1 GLU 2017 HB3 -0.00 -0.02 -0.09 -0.04 1.99 1.83 1s14B1 GLU 2017 HG2 0.01 -0.01 0.02 -0.04 2.34 2.32 1s14B1 GLU 2017 HG3 0.00 0.04 0.06 -0.04 2.34 2.40 1s14B1 PRO 2018 HA 0.00 0.11 0.60 -0.51 4.44 4.64 1s14B1 PRO 2018 HB2 0.07 0.01 0.02 -0.04 2.28 2.34 1s14B1 PRO 2018 HB3 0.02 0.02 0.06 -0.04 2.02 2.09 1s14B1 PRO 2018 HG2 -0.04 0.02 0.00 -0.04 2.03 1.97 1s14B1 PRO 2018 HG3 0.01 0.03 0.03 -0.04 2.03 2.06 1s14B1 PRO 2018 HD2 -0.05 0.32 0.18 -0.04 3.68 4.09 1s14B1 PRO 2018 HD3 -0.02 0.07 0.09 -0.04 3.65 3.75 1s14B1 VAL 2019 H -0.16 0.28 -0.21 -0.55 8.24 7.60 1s14B1 VAL 2019 HA -0.11 0.10 0.35 -0.75 4.13 3.72 1s14B1 VAL 2019 HB -0.28 0.05 -0.01 -0.04 2.12 1.83 1s14B1 VAL 2019 HG13 -0.30 -0.01 -0.18 -0.04 0.97 0.44 1s14B1 VAL 2019 HG23 -0.96 0.01 -0.05 -0.04 0.95 -0.09 1s14B1 ARG 2020 H -0.15 0.19 -0.27 -0.55 8.46 7.68 1s14B1 ARG 2020 HA -0.62 0.05 0.29 -0.75 4.34 3.31 1s14B1 ARG 2020 HB2 -0.03 0.12 0.01 -0.04 1.90 1.96 1s14B1 ARG 2020 HB3 0.05 -0.02 0.01 -0.04 1.80 1.80 1s14B1 ARG 2020 HG2 -0.17 0.10 0.02 -0.04 1.67 1.59 1s14B1 ARG 2020 HG3 -0.16 -0.17 -0.04 -0.04 1.67 1.25 1s14B1 ARG 2020 HD2 0.04 0.07 0.03 -0.04 3.22 3.33 1s14B1 ARG 2020 HD3 0.02 -0.02 0.04 -0.04 3.22 3.22 1s14B1 ARG 2021 H -0.04 0.03 -0.77 -0.55 8.46 7.13 1s14B1 ARG 2021 HA 0.03 0.05 0.43 -0.75 4.34 4.10 1s14B1 ARG 2021 HB2 0.02 -0.02 0.06 -0.04 1.90 1.92 1s14B1 ARG 2021 HB3 0.02 0.16 0.13 -0.04 1.80 2.06 1s14B1 ARG 2021 HG2 0.02 -0.05 -0.03 -0.04 1.67 1.56 1s14B1 ARG 2021 HG3 0.02 0.03 -0.41 -0.04 1.67 1.27 1s14B1 ARG 2021 HD2 0.01 -0.05 -0.03 -0.04 3.22 3.12 1s14B1 ARG 2021 HD3 0.02 0.03 0.09 -0.04 3.22 3.33 1s14B1 ARG 2022 H 0.02 0.33 -0.30 -0.55 8.46 7.97 1s14B1 ARG 2022 HA -0.01 0.15 0.72 -0.75 4.34 4.45 1s14B1 ARG 2022 HB2 -0.03 -0.09 0.10 -0.04 1.90 1.84 1s14B1 ARG 2022 HB3 -0.00 0.05 -0.10 -0.04 1.80 1.71 1s14B1 ARG 2022 HG2 0.10 0.07 0.11 -0.04 1.67 1.92 1s14B1 ARG 2022 HG3 -0.05 -0.06 0.05 -0.04 1.67 1.57 1s14B1 ARG 2022 HD2 0.02 -0.05 -0.16 -0.04 3.22 3.00 1s14B1 ARG 2022 HD3 0.08 0.22 0.04 -0.04 3.22 3.53 1s14B1 PRO 2023 HA -0.01 0.06 0.43 -0.51 4.44 4.41 1s14B1 PRO 2023 HB2 -0.26 0.00 -0.05 -0.04 2.28 1.94 1s14B1 PRO 2023 HB3 -0.47 0.04 0.04 -0.04 2.02 1.60 1s14B1 PRO 2023 HG2 -0.08 -0.10 0.08 -0.04 2.03 1.89 1s14B1 PRO 2023 HG3 -0.06 0.09 0.06 -0.04 2.03 2.08 1s14B1 PRO 2023 HD2 -0.03 0.16 -0.13 -0.04 3.68 3.65 1s14B1 PRO 2023 HD3 -0.20 0.29 -0.21 -0.04 3.65 3.49 1s14B1 GLY 2024 H -0.07 0.18 -0.22 -0.55 8.43 7.78 1s14B1 GLY 2024 HA2 -0.07 0.12 0.40 -0.51 4.01 3.95 1s14B1 GLY 2024 HA3 -0.06 -0.00 0.31 -0.51 4.01 3.74 1s14B1 MET 2025 H -0.10 0.55 -0.67 -0.55 8.47 7.70 1s14B1 MET 2025 HA -0.22 0.07 0.66 -0.75 4.52 4.28 1s14B1 MET 2025 HB2 -0.46 0.21 0.10 -0.04 2.15 1.96 1s14B1 MET 2025 HB3 -0.56 -0.07 0.08 -0.04 2.03 1.44 1s14B1 MET 2025 HG2 -0.13 -0.10 -0.10 -0.04 2.63 2.26 1s14B1 MET 2025 HG3 -0.13 0.01 0.04 -0.04 2.56 2.44 1s14B1 MET 2025 HE3 -0.11 -0.00 -0.00 -0.04 2.10 1.94 1s14B1 TYR 2026 H -0.02 0.75 0.12 -0.55 8.29 8.58 1s14B1 TYR 2026 HA -0.04 0.18 0.94 -0.75 4.56 4.88 1s14B1 TYR 2026 HB2 -0.07 0.05 0.05 -0.04 3.06 3.05 1s14B1 TYR 2026 HB3 -0.02 -0.10 0.10 -0.04 2.98 2.91 1s14B1 TYR 2026 HD2 -0.06 0.05 -0.00 -0.04 7.15 7.10 1s14B1 TYR 2026 HE2 -0.05 0.05 -0.10 -0.04 6.85 6.71 1s14B1 THR 2027 H -0.05 0.43 0.08 -0.55 8.28 8.20 1s14B1 THR 2027 HA -0.51 0.09 0.49 -0.75 4.39 3.71 1s14B1 THR 2027 HB 0.14 0.07 -0.35 -0.04 4.32 4.13 1s14B1 THR 2027 HG23 0.09 0.03 -0.41 -0.04 1.22 0.89 1s14B1 ASP 2028 H -0.23 0.07 0.10 -0.55 8.40 7.79 1s14B1 ASP 2028 HA -0.04 0.16 0.68 -0.75 4.63 4.67 1s14B1 ASP 2028 HB2 -0.05 0.07 0.12 -0.04 2.71 2.81 1s14B1 ASP 2028 HB3 0.08 -0.08 0.23 -0.04 2.70 2.89 1s14B1 THR 2029 H 0.01 0.23 0.19 -0.55 8.28 8.15 1s14B1 THR 2029 HA 0.14 0.21 0.45 -0.75 4.39 4.43 1s14B1 THR 2029 HB -0.02 0.02 0.14 -0.04 4.32 4.41 1s14B1 THR 2029 HG23 -0.17 0.07 -0.05 -0.04 1.22 1.03 1s14B1 THR 2030 H 0.09 0.02 -0.30 -0.55 8.28 7.54 1s14B1 THR 2030 HA 0.07 0.06 0.43 -0.75 4.39 4.20 1s14B1 THR 2030 HB 0.06 -0.05 0.05 -0.04 4.32 4.34 1s14B1 THR 2030 HG23 0.04 0.01 -0.04 -0.04 1.22 1.18 1s14B1 ARG 2031 H 0.14 0.30 -0.09 -0.55 8.46 8.26 1s14B1 ARG 2031 HA -0.04 0.46 0.50 -0.75 4.34 4.50 1s14B1 ARG 2031 HB2 -0.16 0.23 0.11 -0.04 1.90 2.04 1s14B1 ARG 2031 HB3 -0.03 0.15 -0.06 -0.04 1.80 1.83 1s14B1 ARG 2031 HG2 0.02 -0.08 -0.10 -0.04 1.67 1.47 1s14B1 ARG 2031 HG3 -0.04 -0.33 -0.09 -0.04 1.67 1.18 1s14B1 ARG 2031 HD2 0.00 -0.19 0.01 -0.04 3.22 3.00 1s14B1 ARG 2031 HD3 -0.00 0.16 -0.08 -0.04 3.22 3.26 1s14B1 PRO 2032 HA -0.54 0.13 0.49 -0.51 4.44 4.01 1s14B1 PRO 2032 HB2 -0.79 -0.05 0.07 -0.04 2.28 1.48 1s14B1 PRO 2032 HB3 -1.04 0.09 0.06 -0.04 2.02 1.08 1s14B1 PRO 2032 HG2 -1.90 -0.12 -0.16 -0.04 2.03 -0.20 1s14B1 PRO 2032 HG3 -0.99 0.31 -0.03 -0.04 2.03 1.27 1s14B1 PRO 2032 HD2 -0.46 0.26 -0.10 -0.04 3.68 3.34 1s14B1 PRO 2032 HD3 -0.67 0.27 0.10 -0.04 3.65 3.32 1s14B1 ASN 2033 H -0.12 0.15 -0.48 -0.55 8.53 7.54 1s14B1 ASN 2033 HA 0.34 0.05 0.30 -0.75 4.76 4.71 1s14B1 ASN 2033 HB2 0.07 0.04 0.05 -0.04 2.88 3.00 1s14B1 ASN 2033 HB3 0.10 0.06 -0.09 -0.04 2.79 2.82 1s14B1 ASN 2033 HD21 0.08 0.33 0.11 -0.04 7.03 7.51 1s14B1 ASN 2033 HD22 0.06 0.04 -0.13 -0.04 7.74 7.67 1s14B1 HIS 2034 H 0.19 0.25 -0.11 -0.55 8.41 8.20 1s14B1 HIS 2034 HA 0.07 0.06 0.37 -0.75 4.63 4.38 1s14B1 HIS 2034 HB2 0.06 0.02 0.13 -0.04 3.26 3.44 1s14B1 HIS 2034 HB3 0.11 0.05 0.14 -0.04 3.20 3.45 1s14B1 HIS 2034 HD2 0.04 0.01 0.01 -0.04 6.97 6.99 1s14B1 HIS 2034 HE1 0.05 0.16 0.05 -0.04 7.75 7.97 1s14B1 LEU 2035 H 0.22 0.23 -0.34 -0.55 8.37 7.93 1s14B1 LEU 2035 HA 0.10 0.05 0.41 -0.75 4.35 4.15 1s14B1 LEU 2035 HB2 0.21 0.10 0.15 -0.04 1.64 2.06 1s14B1 LEU 2035 HB3 0.26 0.01 -0.03 -0.04 1.64 1.83 1s14B1 LEU 2035 HG 0.03 -0.10 -0.07 -0.04 1.64 1.46 1s14B1 LEU 2035 HD13 0.31 0.02 -0.14 -0.04 0.93 1.08 1s14B1 LEU 2035 HD23 0.37 0.02 -0.08 -0.04 0.89 1.16 1s14B1 GLY 2036 H 0.38 0.46 -0.05 -0.55 8.43 8.67 1s14B1 GLY 2036 HA2 0.44 0.01 0.35 -0.51 4.01 4.30 1s14B1 GLY 2036 HA3 0.32 0.05 0.29 -0.51 4.01 4.16 1s14B1 GLN 2037 H 0.04 0.51 -0.21 -0.55 8.47 8.26 1s14B1 GLN 2037 HA -0.01 0.01 0.40 -0.75 4.36 4.00 1s14B1 GLN 2037 HB2 -0.11 0.09 0.10 -0.04 2.15 2.19 1s14B1 GLN 2037 HB3 -0.07 0.00 0.00 -0.04 2.02 1.92 1s14B1 GLN 2037 HG2 0.02 0.10 -0.04 -0.04 2.40 2.43 1s14B1 GLN 2037 HG3 -0.01 -0.02 -0.05 -0.04 2.39 2.27 1s14B1 GLN 2037 HE21 -0.06 0.05 -0.01 -0.04 6.97 6.91 1s14B1 GLN 2037 HE22 -0.02 -0.04 -0.03 -0.04 7.69 7.55 1s14B1 GLU 2038 H -0.13 0.47 -0.25 -0.55 8.60 8.15 1s14B1 GLU 2038 HA -0.10 0.05 0.48 -0.75 4.29 3.97 1s14B1 GLU 2038 HB2 -0.11 0.15 0.20 -0.04 2.09 2.29 1s14B1 GLU 2038 HB3 -0.08 -0.06 0.04 -0.04 1.99 1.85 1s14B1 GLU 2038 HG2 -0.22 -0.04 0.05 -0.04 2.34 2.10 1s14B1 GLU 2038 HG3 -0.50 0.31 0.14 -0.04 2.34 2.24 1s14B1 VAL 2039 H -0.05 0.42 -0.13 -0.55 8.24 7.93 1s14B1 VAL 2039 HA -0.05 0.02 0.43 -0.75 4.13 3.79 1s14B1 VAL 2039 HB 0.07 0.14 0.14 -0.04 2.12 2.43 1s14B1 VAL 2039 HG13 0.06 -0.01 -0.07 -0.04 0.97 0.91 1s14B1 VAL 2039 HG23 -0.28 0.03 -0.01 -0.04 0.95 0.65 1s14B1 ILE 2040 H 0.01 0.62 -0.09 -0.55 8.25 8.25 1s14B1 ILE 2040 HA 0.02 -0.01 0.38 -0.75 4.18 3.82 1s14B1 ILE 2040 HB -0.00 0.07 0.14 -0.04 1.89 2.06 1s14B1 ILE 2040 HG12 0.03 -0.03 -0.02 -0.04 1.49 1.42 1s14B1 ILE 2040 HG13 0.04 0.04 0.03 -0.04 1.21 1.28 1s14B1 ILE 2040 HG23 0.01 -0.01 -0.16 -0.04 0.93 0.72 1s14B1 ILE 2040 HD13 -0.00 -0.03 -0.20 -0.04 0.88 0.61 1s14B1 ASP 2041 H -0.02 0.56 -0.29 -0.55 8.40 8.10 1s14B1 ASP 2041 HA -0.01 0.00 0.37 -0.75 4.63 4.24 1s14B1 ASP 2041 HB2 -0.03 0.14 0.17 -0.04 2.71 2.95 1s14B1 ASP 2041 HB3 -0.02 -0.04 -0.01 -0.04 2.70 2.60 1s14B1 ASN 2042 H -0.01 0.41 -0.28 -0.55 8.53 8.10 1s14B1 ASN 2042 HA 0.00 0.04 0.42 -0.75 4.76 4.47 1s14B1 ASN 2042 HB2 -0.01 0.20 0.15 -0.04 2.88 3.18 1s14B1 ASN 2042 HB3 -0.00 -0.08 0.01 -0.04 2.79 2.67 1s14B1 ASN 2042 HD21 -0.04 -0.04 -0.03 -0.04 7.03 6.88 1s14B1 ASN 2042 HD22 -0.03 -0.05 0.02 -0.04 7.74 7.63 1s14B1 SER 2043 H 0.01 0.41 -0.28 -0.55 8.46 8.06 1s14B1 SER 2043 HA 0.03 -0.00 0.56 -0.75 4.49 4.32 1s14B1 SER 2043 HB2 0.03 0.18 0.13 -0.04 3.95 4.25 1s14B1 SER 2043 HB3 0.03 -0.06 -0.02 -0.04 3.93 3.84 1s14B1 VAL 2044 H 0.02 0.59 0.01 -0.55 8.24 8.30 1s14B1 VAL 2044 HA 0.03 0.02 0.36 -0.75 4.13 3.78 1s14B1 VAL 2044 HB 0.01 0.07 0.06 -0.04 2.12 2.22 1s14B1 VAL 2044 HG13 0.01 0.01 -0.04 -0.04 0.97 0.91 1s14B1 VAL 2044 HG23 0.02 0.07 -0.02 -0.04 0.95 0.97 1s14B1 ASP 2045 H 0.02 0.38 -0.52 -0.55 8.40 7.72 1s14B1 ASP 2045 HA 0.02 0.06 0.43 -0.75 4.63 4.39 1s14B1 ASP 2045 HB2 0.02 0.18 0.12 -0.04 2.71 2.99 1s14B1 ASP 2045 HB3 0.03 -0.05 -0.03 -0.04 2.70 2.61 1s14B1 GLU 2046 H 0.04 0.34 -0.27 -0.55 8.60 8.17 1s14B1 GLU 2046 HA 0.13 0.07 0.41 -0.75 4.29 4.15 1s14B1 GLU 2046 HB2 0.05 0.28 0.23 -0.04 2.09 2.61 1s14B1 GLU 2046 HB3 0.10 -0.12 -0.00 -0.04 1.99 1.92 1s14B1 GLU 2046 HG2 0.04 0.18 0.09 -0.04 2.34 2.62 1s14B1 GLU 2046 HG3 0.04 -0.17 0.08 -0.04 2.34 2.24 1s14B1 ALA 2047 H 0.04 0.31 -0.24 -0.55 8.40 7.95 1s14B1 ALA 2047 HA 0.02 0.10 0.54 -0.75 4.34 4.25 1s14B1 ALA 2047 HB3 0.03 0.03 0.01 -0.04 1.41 1.44 1s14B1 LEU 2048 H 0.01 0.73 0.01 -0.55 8.37 8.57 1s14B1 LEU 2048 HA -0.01 0.08 0.43 -0.75 4.35 4.10 1s14B1 LEU 2048 HB2 0.01 0.02 0.20 -0.04 1.64 1.82 1s14B1 LEU 2048 HB3 -0.00 -0.04 0.03 -0.04 1.64 1.59 1s14B1 LEU 2048 HG 0.01 0.08 0.07 -0.04 1.64 1.76 1s14B1 LEU 2048 HD13 -0.00 -0.04 -0.06 -0.04 0.93 0.79 1s14B1 LEU 2048 HD23 -0.00 0.01 0.07 -0.04 0.89 0.93 1s14B1 ALA 2049 H 0.00 0.46 -0.31 -0.55 8.40 8.00 1s14B1 ALA 2049 HA -0.06 0.04 0.46 -0.75 4.34 4.02 1s14B1 ALA 2049 HB3 0.07 -0.03 0.12 -0.04 1.41 1.52 1s14B1 GLY 2050 H -0.09 0.44 -0.81 -0.55 8.43 7.42 1s14B1 GLY 2050 HA2 -0.09 0.11 0.29 -0.51 4.01 3.81 1s14B1 GLY 2050 HA3 -0.19 0.02 0.48 -0.51 4.01 3.80 1s14B1 HIS 2051 H -0.06 0.59 0.12 -0.55 8.41 8.52 1s14B1 HIS 2051 HA 0.01 0.22 0.94 -0.75 4.63 5.05 1s14B1 HIS 2051 HB2 0.01 -0.11 0.04 -0.04 3.26 3.17 1s14B1 HIS 2051 HB3 0.01 -0.08 -0.02 -0.04 3.20 3.08 1s14B1 HIS 2051 HD2 0.01 -0.06 -0.03 -0.04 6.97 6.84 1s14B1 HIS 2051 HE1 0.01 -0.04 -0.03 -0.04 7.75 7.64 1s14B1 ALA 2052 H 0.07 0.20 -0.21 -0.55 8.40 7.91 1s14B1 ALA 2052 HA 0.06 0.35 0.74 -0.75 4.34 4.74 1s14B1 ALA 2052 HB3 0.05 -0.06 -0.12 -0.04 1.41 1.24 1s14B1 LYS 2053 H 0.03 0.05 0.20 -0.55 8.42 8.15 1s14B1 LYS 2053 HA 0.03 0.28 0.84 -0.75 4.32 4.72 1s14B1 LYS 2053 HB2 0.02 -0.03 0.08 -0.04 1.87 1.90 1s14B1 LYS 2053 HB3 0.02 0.01 0.10 -0.04 1.79 1.88 1s14B1 LYS 2053 HG2 0.02 0.06 -0.06 -0.04 1.46 1.43 1s14B1 LYS 2053 HG3 0.02 0.03 -0.44 -0.04 1.46 1.02 1s14B1 LYS 2053 HD2 0.02 0.04 -0.06 -0.04 1.69 1.64 1s14B1 LYS 2053 HD3 0.02 0.00 -0.02 -0.04 1.68 1.64 1s14B1 LYS 2053 HE2 0.01 -0.04 -0.00 -0.04 2.99 2.92 1s14B1 LYS 2053 HE3 0.01 0.02 -0.01 -0.04 2.99 2.98 1s14B1 ARG 2054 H 0.03 -0.05 0.21 -0.55 8.46 8.10 1s14B1 ARG 2054 HA 0.04 0.38 1.06 -0.75 4.34 5.06 1s14B1 ARG 2054 HB2 0.02 0.09 0.03 -0.04 1.90 1.99 1s14B1 ARG 2054 HB3 0.02 -0.07 0.02 -0.04 1.80 1.72 1s14B1 ARG 2054 HG2 0.02 -0.09 -0.28 -0.04 1.67 1.28 1s14B1 ARG 2054 HG3 0.02 0.07 -0.25 -0.04 1.67 1.47 1s14B1 ARG 2054 HD2 -0.00 -0.03 -0.13 -0.04 3.22 3.01 1s14B1 ARG 2054 HD3 0.00 0.03 -0.08 -0.04 3.22 3.13 1s14B1 VAL 2055 H 0.06 0.71 0.33 -0.55 8.24 8.79 1s14B1 VAL 2055 HA 0.04 0.23 1.12 -0.75 4.13 4.77 1s14B1 VAL 2055 HB 0.07 0.02 0.11 -0.04 2.12 2.28 1s14B1 VAL 2055 HG13 0.05 -0.01 -0.15 -0.04 0.97 0.83 1s14B1 VAL 2055 HG23 0.04 -0.03 -0.26 -0.04 0.95 0.67 1s14B1 ASP 2056 H 0.03 0.91 0.41 -0.55 8.40 9.21 1s14B1 ASP 2056 HA 0.04 0.15 1.11 -0.75 4.63 5.18 1s14B1 ASP 2056 HB2 -0.00 -0.06 0.11 -0.04 2.71 2.72 1s14B1 ASP 2056 HB3 -0.02 -0.01 -0.03 -0.04 2.70 2.60 1s14B1 VAL 2057 H 0.07 0.61 0.35 -0.55 8.24 8.73 1s14B1 VAL 2057 HA 0.01 0.30 1.20 -0.75 4.13 4.89 1s14B1 VAL 2057 HB 0.30 0.01 0.24 -0.04 2.12 2.63 1s14B1 VAL 2057 HG13 0.11 -0.02 -0.12 -0.04 0.97 0.90 1s14B1 VAL 2057 HG23 0.08 0.00 -0.12 -0.04 0.95 0.87 1s14B1 ILE 2058 H -0.12 0.78 0.41 -0.55 8.25 8.77 1s14B1 ILE 2058 HA -0.32 0.27 1.22 -0.75 4.18 4.60 1s14B1 ILE 2058 HB -0.32 -0.05 0.13 -0.04 1.89 1.62 1s14B1 ILE 2058 HG12 -0.24 0.02 -0.08 -0.04 1.49 1.15 1s14B1 ILE 2058 HG13 -0.14 -0.07 -0.48 -0.04 1.21 0.48 1s14B1 ILE 2058 HG23 -0.71 -0.01 -0.21 -0.04 0.93 -0.05 1s14B1 ILE 2058 HD13 -0.13 0.00 -0.11 -0.04 0.88 0.60 1s14B1 LEU 2059 H -0.40 0.63 0.36 -0.55 8.37 8.41 1s14B1 LEU 2059 HA -0.27 0.25 0.99 -0.75 4.35 4.56 1s14B1 LEU 2059 HB2 -0.04 0.01 0.07 -0.04 1.64 1.64 1s14B1 LEU 2059 HB3 -0.17 -0.11 0.31 -0.04 1.64 1.63 1s14B1 LEU 2059 HG -0.06 -0.03 -0.08 -0.04 1.64 1.44 1s14B1 LEU 2059 HD13 -0.13 0.06 -0.03 -0.04 0.93 0.79 1s14B1 LEU 2059 HD23 0.09 -0.03 -0.00 -0.04 0.89 0.91 1s14B1 HIS 2060 H -0.11 0.49 0.16 -0.55 8.41 8.40 1s14B1 HIS 2060 HA -0.11 0.05 0.46 -0.75 4.63 4.27 1s14B1 HIS 2060 HB2 -0.15 0.01 0.05 -0.04 3.26 3.14 1s14B1 HIS 2060 HB3 -0.01 -0.06 0.07 -0.04 3.20 3.15 1s14B1 HIS 2060 HD2 -0.59 0.07 -0.13 -0.04 6.97 6.28 1s14B1 HIS 2060 HE1 -0.07 0.04 -0.07 -0.04 7.75 7.61 1s14B1 ALA 2061 H 0.07 0.17 0.15 -0.55 8.40 8.24 1s14B1 ALA 2061 HA 0.02 0.10 0.28 -0.75 4.34 3.98 1s14B1 ALA 2061 HB3 0.04 0.04 0.12 -0.04 1.41 1.58 1s14B1 ASP 2062 H 0.13 0.01 -0.33 -0.55 8.40 7.66 1s14B1 ASP 2062 HA 0.10 0.23 0.69 -0.75 4.63 4.90 1s14B1 ASP 2062 HB2 0.21 0.07 0.15 -0.04 2.71 3.10 1s14B1 ASP 2062 HB3 0.16 0.02 0.03 -0.04 2.70 2.86 1s14B1 GLN 2063 H 0.07 0.38 -0.50 -0.55 8.47 7.86 1s14B1 GLN 2063 HA 0.10 0.01 0.28 -0.75 4.36 3.99 1s14B1 GLN 2063 HB2 0.09 0.24 -0.00 -0.04 2.15 2.44 1s14B1 GLN 2063 HB3 0.12 0.04 0.25 -0.04 2.02 2.39 1s14B1 GLN 2063 HG2 0.07 0.05 -0.14 -0.04 2.40 2.34 1s14B1 GLN 2063 HG3 0.06 0.00 -0.09 -0.04 2.39 2.32 1s14B1 GLN 2063 HE21 0.07 -0.04 0.05 -0.04 6.97 7.02 1s14B1 GLN 2063 HE22 0.05 0.07 0.01 -0.04 7.69 7.77 1s14B1 SER 2064 H -0.03 -0.10 -0.25 -0.55 8.46 7.53 1s14B1 SER 2064 HA -0.26 0.26 0.91 -0.75 4.49 4.64 1s14B1 SER 2064 HB2 -1.30 0.11 -0.06 -0.04 3.95 2.66 1s14B1 SER 2064 HB3 -1.10 0.04 -0.05 -0.04 3.93 2.79 1s14B1 LEU 2065 H -0.72 0.62 0.39 -0.55 8.37 8.11 1s14B1 LEU 2065 HA -0.42 0.24 1.29 -0.75 4.35 4.71 1s14B1 LEU 2065 HB2 -1.10 0.01 -0.05 -0.04 1.64 0.46 1s14B1 LEU 2065 HB3 -0.91 -0.03 0.12 -0.04 1.64 0.78 1s14B1 LEU 2065 HG -0.28 0.09 -0.09 -0.04 1.64 1.33 1s14B1 LEU 2065 HD13 -0.64 0.01 -0.05 -0.04 0.93 0.20 1s14B1 LEU 2065 HD23 -0.23 -0.02 -0.05 -0.04 0.89 0.55 1s14B1 GLU 2066 H -0.27 0.68 0.45 -0.55 8.60 8.92 1s14B1 GLU 2066 HA -0.17 0.39 1.30 -0.75 4.29 5.06 1s14B1 GLU 2066 HB2 -0.76 -0.05 -0.02 -0.04 2.09 1.22 1s14B1 GLU 2066 HB3 -0.15 -0.07 0.14 -0.04 1.99 1.87 1s14B1 GLU 2066 HG2 -0.05 -0.00 -0.31 -0.04 2.34 1.94 1s14B1 GLU 2066 HG3 -0.07 0.05 -0.21 -0.04 2.34 2.07 1s14B1 VAL 2067 H 0.03 0.74 0.38 -0.55 8.24 8.85 1s14B1 VAL 2067 HA 0.01 0.28 1.18 -0.75 4.13 4.84 1s14B1 VAL 2067 HB 0.08 -0.05 0.18 -0.04 2.12 2.29 1s14B1 VAL 2067 HG13 0.04 0.01 -0.17 -0.04 0.97 0.81 1s14B1 VAL 2067 HG23 0.08 -0.01 -0.15 -0.04 0.95 0.82 1s14B1 ILE 2068 H 0.02 0.90 0.42 -0.55 8.25 9.03 1s14B1 ILE 2068 HA 0.03 0.33 1.37 -0.75 4.18 5.16 1s14B1 ILE 2068 HB 0.01 -0.08 0.09 -0.04 1.89 1.87 1s14B1 ILE 2068 HG12 0.02 0.00 -0.16 -0.04 1.49 1.31 1s14B1 ILE 2068 HG13 -0.01 -0.05 -0.25 -0.04 1.21 0.87 1s14B1 ILE 2068 HG23 0.03 0.02 -0.10 -0.04 0.93 0.84 1s14B1 ILE 2068 HD13 0.00 -0.00 -0.12 -0.04 0.88 0.72 1s14B1 ASP 2069 H 0.03 0.61 0.49 -0.55 8.40 8.99 1s14B1 ASP 2069 HA 0.03 0.38 1.13 -0.75 4.63 5.42 1s14B1 ASP 2069 HB2 0.04 0.02 0.22 -0.04 2.71 2.95 1s14B1 ASP 2069 HB3 0.04 0.02 0.00 -0.04 2.70 2.72 1s14B1 ASP 2070 H 0.04 0.27 0.28 -0.55 8.40 8.44 1s14B1 ASP 2070 HA 0.03 0.31 1.09 -0.75 4.63 5.31 1s14B1 ASP 2070 HB2 0.03 0.13 0.36 -0.04 2.71 3.19 1s14B1 ASP 2070 HB3 0.03 -0.04 0.13 -0.04 2.70 2.77 1s14B1 GLY 2071 H 0.04 -0.12 -0.31 -0.55 8.43 7.49 1s14B1 GLY 2071 HA2 0.07 0.23 0.15 -0.51 4.01 3.95 1s14B1 GLY 2071 HA3 0.05 -0.12 0.29 -0.51 4.01 3.71 1s14B1 ARG 2072 H -0.01 0.07 0.04 -0.55 8.46 8.01 1s14B1 ARG 2072 HA -0.03 0.21 0.52 -0.75 4.34 4.28 1s14B1 ARG 2072 HB2 -0.11 -0.07 0.03 -0.04 1.90 1.72 1s14B1 ARG 2072 HB3 -0.10 0.04 0.04 -0.04 1.80 1.74 1s14B1 ARG 2072 HG2 -0.20 0.05 0.03 -0.04 1.67 1.51 1s14B1 ARG 2072 HG3 -0.29 -0.03 -0.01 -0.04 1.67 1.29 1s14B1 ARG 2072 HD2 -0.28 -0.02 0.00 -0.04 3.22 2.89 1s14B1 ARG 2072 HD3 -0.84 0.05 -0.00 -0.04 3.22 2.39 1s14B1 GLY 2073 H 0.00 -0.12 -0.32 -0.55 8.43 7.44 1s14B1 GLY 2073 HA2 0.02 -0.09 0.01 -0.51 4.01 3.44 1s14B1 GLY 2073 HA3 0.02 0.28 0.50 -0.51 4.01 4.29 1s14B1 MET 2074 H 0.01 0.05 -0.03 -0.55 8.47 7.96 1s14B1 MET 2074 HA -0.02 0.08 0.31 -0.75 4.52 4.14 1s14B1 MET 2074 HB2 0.01 -0.05 0.05 -0.04 2.15 2.12 1s14B1 MET 2074 HB3 -0.01 0.07 -0.08 -0.04 2.03 1.98 1s14B1 MET 2074 HG2 -0.00 0.06 -0.02 -0.04 2.63 2.62 1s14B1 MET 2074 HG3 0.01 -0.09 0.00 -0.04 2.56 2.43 1s14B1 MET 2074 HE3 -0.01 0.01 -0.05 -0.04 2.10 2.01 1s14B1 PRO 2075 HA -0.07 0.03 0.36 -0.51 4.44 4.24 1s14B1 PRO 2075 HB2 -0.02 -0.04 0.00 -0.04 2.28 2.17 1s14B1 PRO 2075 HB3 -0.04 0.00 0.07 -0.04 2.02 2.02 1s14B1 PRO 2075 HG2 -0.02 0.03 0.04 -0.04 2.03 2.04 1s14B1 PRO 2075 HG3 -0.04 0.12 0.08 -0.04 2.03 2.15 1s14B1 PRO 2075 HD2 -0.02 0.05 0.09 -0.04 3.68 3.76 1s14B1 PRO 2075 HD3 -0.03 0.16 0.16 -0.04 3.65 3.90 1s14B1 VAL 2076 H -0.15 0.10 0.17 -0.55 8.24 7.81 1s14B1 VAL 2076 HA -0.10 0.03 0.99 -0.75 4.13 4.29 1s14B1 VAL 2076 HB -0.34 -0.03 0.07 -0.04 2.12 1.78 1s14B1 VAL 2076 HG13 -0.35 0.04 -0.14 -0.04 0.97 0.47 1s14B1 VAL 2076 HG23 -0.78 0.01 -0.12 -0.04 0.95 0.01 1s14B1 ASP 2077 H -0.09 0.00 0.08 -0.55 8.40 7.85 1s14B1 ASP 2077 HA -0.04 0.10 0.42 -0.75 4.63 4.36 1s14B1 ASP 2077 HB2 -0.03 0.09 0.08 -0.04 2.71 2.81 1s14B1 ASP 2077 HB3 -0.04 -0.00 0.11 -0.04 2.70 2.73 1s14B1 ILE 2078 H -0.00 0.12 0.11 -0.55 8.25 7.93 1s14B1 ILE 2078 HA 0.03 0.07 0.26 -0.75 4.18 3.78 1s14B1 ILE 2078 HB 0.01 -0.04 -0.01 -0.04 1.89 1.81 1s14B1 ILE 2078 HG12 0.01 -0.10 0.04 -0.04 1.49 1.40 1s14B1 ILE 2078 HG13 0.02 0.04 -0.00 -0.04 1.21 1.23 1s14B1 ILE 2078 HG23 0.04 0.04 -0.38 -0.04 0.93 0.59 1s14B1 ILE 2078 HD13 0.02 0.07 -0.13 -0.04 0.88 0.80 1s14B1 HIS 2079 H 0.12 0.35 0.01 -0.55 8.41 8.35 1s14B1 HIS 2079 HA -0.01 0.17 0.59 -0.75 4.63 4.63 1s14B1 HIS 2079 HB2 -0.01 0.06 0.04 -0.04 3.26 3.32 1s14B1 HIS 2079 HB3 -0.00 -0.13 0.07 -0.04 3.20 3.10 1s14B1 HIS 2079 HD2 -0.01 0.03 -0.01 -0.04 6.97 6.95 1s14B1 HIS 2079 HE1 -0.00 0.01 0.02 -0.04 7.75 7.74 1s14B1 PRO 2080 HA 0.02 0.10 0.29 -0.51 4.44 4.34 1s14B1 PRO 2080 HB2 0.02 0.05 0.04 -0.04 2.28 2.35 1s14B1 PRO 2080 HB3 -0.04 0.06 0.10 -0.04 2.02 2.09 1s14B1 PRO 2080 HG2 -0.17 -0.15 0.10 -0.04 2.03 1.78 1s14B1 PRO 2080 HG3 -0.21 0.09 0.09 -0.04 2.03 1.95 1s14B1 PRO 2080 HD2 -0.95 0.05 0.21 -0.04 3.68 2.95 1s14B1 PRO 2080 HD3 -0.22 0.20 0.18 -0.04 3.65 3.77 1s14B1 GLU 2081 H 0.30 0.04 -0.07 -0.55 8.60 8.33 1s14B1 GLU 2081 HA 0.07 0.11 0.38 -0.75 4.29 4.09 1s14B1 GLU 2081 HB2 0.02 -0.07 0.07 -0.04 2.09 2.06 1s14B1 GLU 2081 HB3 0.04 0.05 0.03 -0.04 1.99 2.07 1s14B1 GLU 2081 HG2 0.09 0.03 0.03 -0.04 2.34 2.45 1s14B1 GLU 2081 HG3 0.30 -0.08 0.09 -0.04 2.34 2.61 1s14B1 GLU 2082 H -0.05 -0.04 -0.13 -0.55 8.60 7.84 1s14B1 GLU 2082 HA -0.06 0.04 0.32 -0.75 4.29 3.83 1s14B1 GLU 2082 HB2 0.00 -0.05 0.10 -0.04 2.09 2.10 1s14B1 GLU 2082 HB3 -0.07 -0.01 0.02 -0.04 1.99 1.89 1s14B1 GLU 2082 HG2 -1.10 -0.10 0.04 -0.04 2.34 1.14 1s14B1 GLU 2082 HG3 -0.46 0.02 0.01 -0.04 2.34 1.87 1s14B1 GLY 2083 H 0.08 0.32 -0.14 -0.55 8.43 8.15 1s14B1 GLY 2083 HA2 0.04 0.08 0.29 -0.51 4.01 3.91 1s14B1 GLY 2083 HA3 0.02 0.20 0.86 -0.51 4.01 4.58 1s14B1 VAL 2084 H 0.02 0.07 -0.28 -0.55 8.24 7.50 1s14B1 VAL 2084 HA 0.03 0.22 0.76 -0.75 4.13 4.38 1s14B1 VAL 2084 HB 0.04 -0.00 0.07 -0.04 2.12 2.18 1s14B1 VAL 2084 HG13 0.02 0.03 -0.08 -0.04 0.97 0.90 1s14B1 VAL 2084 HG23 0.02 0.01 -0.22 -0.04 0.95 0.73 1s14B1 PRO 2085 HA 0.02 0.23 0.20 -0.51 4.44 4.37 1s14B1 PRO 2085 HB2 -0.00 -0.13 0.06 -0.04 2.28 2.16 1s14B1 PRO 2085 HB3 -0.00 0.25 0.12 -0.04 2.02 2.35 1s14B1 PRO 2085 HG2 0.05 -0.14 0.14 -0.04 2.03 2.03 1s14B1 PRO 2085 HG3 0.04 0.06 0.14 -0.04 2.03 2.22 1s14B1 PRO 2085 HD2 0.03 0.09 0.24 -0.04 3.68 4.00 1s14B1 PRO 2085 HD3 0.03 0.21 0.19 -0.04 3.65 4.04 1s14B1 ALA 2086 H 0.01 0.62 -0.01 -0.55 8.40 8.48 1s14B1 ALA 2086 HA 0.04 0.01 0.33 -0.75 4.34 3.96 1s14B1 ALA 2086 HB3 0.02 0.03 -0.06 -0.04 1.41 1.35 1s14B1 VAL 2087 H -0.01 0.13 -0.26 -0.55 8.24 7.55 1s14B1 VAL 2087 HA -0.00 0.05 0.38 -0.75 4.13 3.80 1s14B1 VAL 2087 HB -0.02 0.29 -0.09 -0.04 2.12 2.26 1s14B1 VAL 2087 HG13 0.03 -0.02 -0.11 -0.04 0.97 0.83 1s14B1 VAL 2087 HG23 0.03 -0.03 -0.14 -0.04 0.95 0.78 1s14B1 GLU 2088 H 0.05 0.25 -0.27 -0.55 8.60 8.08 1s14B1 GLU 2088 HA 0.17 0.04 0.37 -0.75 4.29 4.11 1s14B1 GLU 2088 HB2 0.10 -0.06 0.09 -0.04 2.09 2.18 1s14B1 GLU 2088 HB3 0.07 0.15 0.02 -0.04 1.99 2.20 1s14B1 GLU 2088 HG2 0.18 0.02 -0.13 -0.04 2.34 2.37 1s14B1 GLU 2088 HG3 0.28 -0.02 0.02 -0.04 2.34 2.58 1s14B1 LEU 2089 H 0.03 0.37 -0.33 -0.55 8.37 7.89 1s14B1 LEU 2089 HA 0.01 0.06 0.35 -0.75 4.35 4.02 1s14B1 LEU 2089 HB2 -0.01 -0.02 -0.02 -0.04 1.64 1.56 1s14B1 LEU 2089 HB3 -0.00 0.16 0.10 -0.04 1.64 1.86 1s14B1 LEU 2089 HG -0.03 0.02 -0.30 -0.04 1.64 1.29 1s14B1 LEU 2089 HD13 -0.05 -0.01 -0.02 -0.04 0.93 0.82 1s14B1 LEU 2089 HD23 -0.06 -0.01 -0.03 -0.04 0.89 0.74 1s14B1 ILE 2090 H -0.01 0.45 -0.16 -0.55 8.25 7.98 1s14B1 ILE 2090 HA -0.04 0.03 0.30 -0.75 4.18 3.72 1s14B1 ILE 2090 HB -0.03 0.11 0.10 -0.04 1.89 2.04 1s14B1 ILE 2090 HG12 -0.02 -0.03 0.00 -0.04 1.49 1.40 1s14B1 ILE 2090 HG13 -0.01 -0.00 0.05 -0.04 1.21 1.20 1s14B1 ILE 2090 HG23 -0.04 -0.02 -0.19 -0.04 0.93 0.64 1s14B1 ILE 2090 HD13 -0.01 0.00 -0.07 -0.04 0.88 0.76 1s14B1 LEU 2091 H -0.07 0.42 -0.34 -0.55 8.37 7.83 1s14B1 LEU 2091 HA -0.21 -0.04 0.39 -0.75 4.35 3.73 1s14B1 LEU 2091 HB2 -0.17 0.15 0.08 -0.04 1.64 1.66 1s14B1 LEU 2091 HB3 -0.93 0.02 -0.15 -0.04 1.64 0.54 1s14B1 LEU 2091 HG -0.14 -0.04 -0.07 -0.04 1.64 1.34 1s14B1 LEU 2091 HD13 0.03 0.00 -0.16 -0.04 0.93 0.76 1s14B1 LEU 2091 HD23 -0.43 -0.03 -0.10 -0.04 0.89 0.30 1s14B1 CYS 2092 H -0.08 0.43 -0.30 -0.55 8.50 8.00 1s14B1 CYS 2092 HA -0.08 0.04 0.39 -0.75 4.58 4.19 1s14B1 CYS 2092 HB2 -0.01 0.15 0.16 -0.04 2.97 3.24 1s14B1 CYS 2092 HB3 0.01 -0.04 0.03 -0.04 2.97 2.94 1s14B1 ILE 2093 H -0.08 0.32 -0.37 -0.55 8.25 7.57 1s14B1 ILE 2093 HA -0.08 0.21 0.83 -0.75 4.18 4.39 1s14B1 ILE 2093 HB -0.06 -0.06 0.15 -0.04 1.89 1.89 1s14B1 ILE 2093 HG12 -0.05 0.12 0.00 -0.04 1.49 1.53 1s14B1 ILE 2093 HG13 -0.06 0.13 -0.18 -0.04 1.21 1.06 1s14B1 ILE 2093 HG23 -0.04 0.00 -0.09 -0.04 0.93 0.76 1s14B1 ILE 2093 HD13 -0.03 -0.04 -0.02 -0.04 0.88 0.74 1s14B1 SER 2117 H -0.13 0.41 -0.42 -0.55 8.46 7.77 1s14B1 SER 2117 HA -0.09 0.11 0.74 -0.75 4.49 4.49 1s14B1 SER 2117 HB2 -0.11 0.01 0.06 -0.04 3.95 3.87 1s14B1 SER 2117 HB3 -0.16 0.22 0.20 -0.04 3.93 4.15 1s14B1 VAL 2118 H -0.08 0.21 0.17 -0.55 8.24 7.98 1s14B1 VAL 2118 HA -0.15 0.15 0.42 -0.75 4.13 3.80 1s14B1 VAL 2118 HB -0.01 -0.04 0.09 -0.04 2.12 2.12 1s14B1 VAL 2118 HG13 0.01 0.02 -0.21 -0.04 0.97 0.75 1s14B1 VAL 2118 HG23 -0.10 0.05 0.03 -0.04 0.95 0.89 1s14B1 VAL 2119 H -0.11 0.10 -0.11 -0.55 8.24 7.57 1s14B1 VAL 2119 HA -0.08 0.08 0.29 -0.75 4.13 3.67 1s14B1 VAL 2119 HB -0.24 0.00 -0.05 -0.04 2.12 1.79 1s14B1 VAL 2119 HG13 -0.83 0.01 -0.18 -0.04 0.97 -0.07 1s14B1 VAL 2119 HG23 -0.26 -0.01 0.00 -0.04 0.95 0.65 1s14B1 ASN 2120 H -0.12 0.08 -0.46 -0.55 8.53 7.48 1s14B1 ASN 2120 HA -0.01 -0.01 0.29 -0.75 4.76 4.28 1s14B1 ASN 2120 HB2 -0.25 -0.11 0.03 -0.04 2.88 2.51 1s14B1 ASN 2120 HB3 -0.17 0.29 0.07 -0.04 2.79 2.93 1s14B1 ASN 2120 HD21 -0.65 -0.08 -0.29 -0.04 7.03 5.97 1s14B1 ASN 2120 HD22 -0.52 0.61 -0.18 -0.04 7.74 7.60 1s14B1 ALA 2121 H -0.08 0.31 -0.28 -0.55 8.40 7.80 1s14B1 ALA 2121 HA -0.00 0.09 0.33 -0.75 4.34 4.00 1s14B1 ALA 2121 HB3 -0.14 0.00 0.03 -0.04 1.41 1.26 1s14B1 LEU 2122 H 0.02 0.42 -0.31 -0.55 8.37 7.95 1s14B1 LEU 2122 HA 0.03 0.20 0.73 -0.75 4.35 4.55 1s14B1 LEU 2122 HB2 0.11 0.10 0.01 -0.04 1.64 1.82 1s14B1 LEU 2122 HB3 0.38 -0.11 0.08 -0.04 1.64 1.95 1s14B1 LEU 2122 HG -0.28 -0.02 -0.04 -0.04 1.64 1.26 1s14B1 LEU 2122 HD13 -0.84 0.01 -0.27 -0.04 0.93 -0.21 1s14B1 LEU 2122 HD23 -0.04 -0.01 -0.13 -0.04 0.89 0.67 1s14B1 SER 2123 H 0.19 0.36 -0.51 -0.55 8.46 7.96 1s14B1 SER 2123 HA 0.37 0.03 1.05 -0.75 4.49 5.18 1s14B1 SER 2123 HB2 0.26 0.02 -0.07 -0.04 3.95 4.11 1s14B1 SER 2123 HB3 0.41 -0.04 -0.05 -0.04 3.93 4.21 1s14B1 LYS 2124 H 0.28 0.63 0.23 -0.55 8.42 9.01 1s14B1 LYS 2124 HA 0.13 0.05 0.52 -0.75 4.32 4.27 1s14B1 LYS 2124 HB2 0.14 0.04 0.10 -0.04 1.87 2.11 1s14B1 LYS 2124 HB3 0.04 -0.02 0.10 -0.04 1.79 1.86 1s14B1 LYS 2124 HG2 0.07 -0.02 0.08 -0.04 1.46 1.55 1s14B1 LYS 2124 HG3 0.16 0.08 -0.04 -0.04 1.46 1.62 1s14B1 LYS 2124 HD2 0.03 -0.00 0.05 -0.04 1.69 1.72 1s14B1 LYS 2124 HD3 0.05 -0.10 0.10 -0.04 1.68 1.69 1s14B1 LYS 2124 HE2 0.19 0.16 -0.02 -0.04 2.99 3.28 1s14B1 LYS 2124 HE3 0.05 -0.04 0.01 -0.04 2.99 2.98 1s14B1 ARG 2125 H 0.32 0.22 -0.01 -0.55 8.46 8.43 1s14B1 ARG 2125 HA 0.13 0.31 0.73 -0.75 4.34 4.75 1s14B1 ARG 2125 HB2 -0.20 0.09 -0.15 -0.04 1.90 1.59 1s14B1 ARG 2125 HB3 -0.29 -0.11 -0.02 -0.04 1.80 1.33 1s14B1 ARG 2125 HG2 -0.02 -0.06 -0.16 -0.04 1.67 1.38 1s14B1 ARG 2125 HG3 -0.10 0.18 0.13 -0.04 1.67 1.84 1s14B1 ARG 2125 HD2 -0.55 0.02 -0.05 -0.04 3.22 2.60 1s14B1 ARG 2125 HD3 -1.61 -0.07 -0.10 -0.04 3.22 1.40 1s14B1 VAL 2126 H 0.24 0.65 0.29 -0.55 8.24 8.87 1s14B1 VAL 2126 HA 0.46 0.25 1.00 -0.75 4.13 5.08 1s14B1 VAL 2126 HB 0.20 -0.07 0.03 -0.04 2.12 2.25 1s14B1 VAL 2126 HG13 0.14 -0.01 -0.23 -0.04 0.97 0.83 1s14B1 VAL 2126 HG23 0.22 -0.03 -0.31 -0.04 0.95 0.79 1s14B1 GLU 2127 H 0.38 0.81 0.40 -0.55 8.60 9.65 1s14B1 GLU 2127 HA 0.21 0.24 1.15 -0.75 4.29 5.14 1s14B1 GLU 2127 HB2 0.36 -0.02 0.16 -0.04 2.09 2.54 1s14B1 GLU 2127 HB3 0.21 0.01 -0.01 -0.04 1.99 2.15 1s14B1 GLU 2127 HG2 0.13 0.05 -0.02 -0.04 2.34 2.46 1s14B1 GLU 2127 HG3 0.17 -0.03 -0.09 -0.04 2.34 2.34 1s14B1 VAL 2128 H 0.17 0.77 0.41 -0.55 8.24 9.04 1s14B1 VAL 2128 HA 0.13 0.39 1.26 -0.75 4.13 5.16 1s14B1 VAL 2128 HB 0.13 -0.02 0.08 -0.04 2.12 2.27 1s14B1 VAL 2128 HG13 0.08 -0.01 -0.18 -0.04 0.97 0.82 1s14B1 VAL 2128 HG23 0.09 -0.02 -0.21 -0.04 0.95 0.78 1s14B1 ASN 2129 H 0.11 0.48 0.37 -0.55 8.53 8.94 1s14B1 ASN 2129 HA 0.11 0.45 1.18 -0.75 4.76 5.75 1s14B1 ASN 2129 HB2 0.09 -0.07 0.13 -0.04 2.88 2.99 1s14B1 ASN 2129 HB3 0.08 0.03 -0.04 -0.04 2.79 2.82 1s14B1 ASN 2129 HD21 0.12 -0.01 -0.17 -0.04 7.03 6.93 1s14B1 ASN 2129 HD22 0.13 0.00 -0.15 -0.04 7.74 7.68 1s14B1 VAL 2130 H 0.15 0.74 0.38 -0.55 8.24 8.97 1s14B1 VAL 2130 HA 0.08 0.24 1.25 -0.75 4.13 4.95 1s14B1 VAL 2130 HB 0.12 -0.06 0.06 -0.04 2.12 2.21 1s14B1 VAL 2130 HG13 0.04 0.04 -0.27 -0.04 0.97 0.75 1s14B1 VAL 2130 HG23 0.05 -0.01 -0.17 -0.04 0.95 0.77 1s14B1 ARG 2131 H 0.08 0.67 0.30 -0.55 8.46 8.95 1s14B1 ARG 2131 HA 0.11 0.30 0.99 -0.75 4.34 4.99 1s14B1 ARG 2131 HB2 0.05 -0.12 0.09 -0.04 1.90 1.88 1s14B1 ARG 2131 HB3 0.05 0.34 0.03 -0.04 1.80 2.18 1s14B1 ARG 2131 HG2 0.04 0.02 -0.18 -0.04 1.67 1.50 1s14B1 ARG 2131 HG3 0.06 -0.07 -0.31 -0.04 1.67 1.30 1s14B1 ARG 2131 HD2 0.03 0.02 -0.28 -0.04 3.22 2.96 1s14B1 ARG 2131 HD3 0.03 -0.04 -0.20 -0.04 3.22 2.98 1s14B1 ARG 2132 H 0.23 0.66 0.24 -0.55 8.46 9.04 1s14B1 ARG 2132 HA 0.07 0.22 0.93 -0.75 4.34 4.80 1s14B1 ARG 2132 HB2 0.11 -0.05 -0.07 -0.04 1.90 1.85 1s14B1 ARG 2132 HB3 0.06 -0.04 -0.08 -0.04 1.80 1.70 1s14B1 ARG 2132 HG2 0.01 0.18 0.12 -0.04 1.67 1.93 1s14B1 ARG 2132 HG3 0.02 -0.06 -0.25 -0.04 1.67 1.33 1s14B1 ARG 2132 HD2 -0.06 0.15 -0.62 -0.04 3.22 2.65 1s14B1 ARG 2132 HD3 -0.14 -0.14 -0.15 -0.04 3.22 2.75 1s14B1 ASP 2133 H 0.05 0.23 0.15 -0.55 8.40 8.28 1s14B1 ASP 2133 HA 0.04 0.08 0.39 -0.75 4.63 4.39 1s14B1 ASP 2133 HB2 0.05 -0.02 0.04 -0.04 2.71 2.74 1s14B1 ASP 2133 HB3 0.09 0.05 0.04 -0.04 2.70 2.84 1s14B1 GLY 2134 H 0.04 0.23 -0.22 -0.55 8.43 7.94 1s14B1 GLY 2134 HA2 0.02 0.24 0.10 -0.51 4.01 3.86 1s14B1 GLY 2134 HA3 0.02 -0.01 0.43 -0.51 4.01 3.93 1s14B1 GLN 2135 H 0.07 0.59 -0.30 -0.55 8.47 8.28 1s14B1 GLN 2135 HA -0.10 0.18 1.12 -0.75 4.36 4.81 1s14B1 GLN 2135 HB2 -0.10 0.03 0.03 -0.04 2.15 2.08 1s14B1 GLN 2135 HB3 -0.52 -0.06 0.06 -0.04 2.02 1.46 1s14B1 GLN 2135 HG2 -0.02 0.04 -0.41 -0.04 2.40 1.97 1s14B1 GLN 2135 HG3 0.04 -0.02 -0.04 -0.04 2.39 2.33 1s14B1 GLN 2135 HE21 -0.07 -0.03 -0.00 -0.04 6.97 6.83 1s14B1 GLN 2135 HE22 -0.05 -0.03 -0.01 -0.04 7.69 7.56 1s14B1 VAL 2136 H -0.20 0.63 0.30 -0.55 8.24 8.42 1s14B1 VAL 2136 HA 0.03 0.36 1.09 -0.75 4.13 4.85 1s14B1 VAL 2136 HB -0.05 -0.12 0.00 -0.04 2.12 1.92 1s14B1 VAL 2136 HG13 0.03 -0.00 -0.22 -0.04 0.97 0.73 1s14B1 VAL 2136 HG23 -0.01 0.01 -0.43 -0.04 0.95 0.47 1s14B1 TYR 2137 H 0.28 0.79 0.39 -0.55 8.29 9.21 1s14B1 TYR 2137 HA 0.03 0.25 1.04 -0.75 4.56 5.12 1s14B1 TYR 2137 HB2 0.03 -0.05 0.08 -0.04 3.06 3.09 1s14B1 TYR 2137 HB3 0.03 -0.02 0.01 -0.04 2.98 2.96 1s14B1 TYR 2137 HD2 0.02 0.09 -0.11 -0.04 7.15 7.11 1s14B1 TYR 2137 HE2 0.01 0.09 -0.07 -0.04 6.85 6.84 1s14B1 ASN 2138 H 0.12 0.56 0.44 -0.55 8.53 9.11 1s14B1 ASN 2138 HA 0.11 0.35 1.20 -0.75 4.76 5.67 1s14B1 ASN 2138 HB2 0.07 -0.04 -0.06 -0.04 2.88 2.81 1s14B1 ASN 2138 HB3 0.06 0.05 0.10 -0.04 2.79 2.96 1s14B1 ASN 2138 HD21 0.09 -0.05 -0.07 -0.04 7.03 6.96 1s14B1 ASN 2138 HD22 0.09 -0.00 -0.04 -0.04 7.74 7.75 1s14B1 ILE 2139 H 0.12 0.55 0.40 -0.55 8.25 8.76 1s14B1 ILE 2139 HA 0.07 0.25 0.52 -0.75 4.18 4.27 1s14B1 ILE 2139 HB 0.12 -0.03 -0.14 -0.04 1.89 1.79 1s14B1 ILE 2139 HG12 0.29 -0.03 -0.13 -0.04 1.49 1.57 1s14B1 ILE 2139 HG13 0.05 0.39 0.20 -0.04 1.21 1.80 1s14B1 ILE 2139 HG23 0.17 0.00 -0.11 -0.04 0.93 0.95 1s14B1 ILE 2139 HD13 0.17 -0.05 -0.02 -0.04 0.88 0.94 1s14B1 ALA 2140 H 0.02 0.45 0.30 -0.55 8.40 8.62 1s14B1 ALA 2140 HA 0.24 0.30 1.10 -0.75 4.34 5.23 1s14B1 ALA 2140 HB3 0.05 0.00 -0.02 -0.04 1.41 1.40 1s14B1 PHE 2141 H 0.32 0.69 0.45 -0.55 8.34 9.25 1s14B1 PHE 2141 HA 0.03 0.17 0.98 -0.75 4.62 5.04 1s14B1 PHE 2141 HB2 0.07 -0.04 -0.02 -0.04 3.15 3.12 1s14B1 PHE 2141 HB3 0.05 -0.02 -0.21 -0.04 3.06 2.84 1s14B1 PHE 2141 HD2 0.04 -0.02 -0.59 -0.04 7.28 6.67 1s14B1 PHE 2141 HE2 0.02 0.02 -0.14 -0.04 7.38 7.23 1s14B1 PHE 2141 HZ 0.01 0.03 -0.06 -0.04 7.32 7.26 1s14B1 GLU 2142 H 0.14 0.73 0.20 -0.55 8.60 9.12 1s14B1 GLU 2142 HA 0.10 0.18 0.71 -0.75 4.29 4.54 1s14B1 GLU 2142 HB2 0.00 -0.02 0.08 -0.04 2.09 2.11 1s14B1 GLU 2142 HB3 0.01 0.05 0.11 -0.04 1.99 2.11 1s14B1 GLU 2142 HG2 -0.04 0.05 0.28 -0.04 2.34 2.59 1s14B1 GLU 2142 HG3 -0.02 -0.11 -0.39 -0.04 2.34 1.78 1s14B1 ASN 2143 H 0.14 0.34 0.06 -0.55 8.53 8.53 1s14B1 ASN 2143 HA 0.15 0.12 0.34 -0.75 4.76 4.62 1s14B1 ASN 2143 HB2 0.07 0.17 0.26 -0.04 2.88 3.34 1s14B1 ASN 2143 HB3 0.09 -0.02 0.22 -0.04 2.79 3.04 1s14B1 ASN 2143 HD21 0.01 -0.04 -0.06 -0.04 7.03 6.90 1s14B1 ASN 2143 HD22 0.03 0.11 -0.16 -0.04 7.74 7.67 1s14B1 GLY 2144 H 0.17 0.02 -0.28 -0.55 8.43 7.80 1s14B1 GLY 2144 HA2 0.12 0.01 0.04 -0.51 4.01 3.66 1s14B1 GLY 2144 HA3 0.09 0.16 0.54 -0.51 4.01 4.29 1s14B1 GLU 2145 H 0.16 0.30 -0.44 -0.55 8.60 8.07 1s14B1 GLU 2145 HA 0.15 0.18 0.93 -0.75 4.29 4.80 1s14B1 GLU 2145 HB2 0.05 0.13 0.02 -0.04 2.09 2.25 1s14B1 GLU 2145 HB3 -0.01 0.05 -0.08 -0.04 1.99 1.92 1s14B1 GLU 2145 HG2 0.05 0.03 0.02 -0.04 2.34 2.40 1s14B1 GLU 2145 HG3 0.04 0.04 -0.09 -0.04 2.34 2.29 1s14B1 LYS 2146 H -0.19 0.15 0.13 -0.55 8.42 7.96 1s14B1 LYS 2146 HA -1.29 0.09 0.62 -0.75 4.32 2.99 1s14B1 LYS 2146 HB2 -1.04 0.01 0.09 -0.04 1.87 0.89 1s14B1 LYS 2146 HB3 -0.33 0.00 0.13 -0.04 1.79 1.55 1s14B1 LYS 2146 HG2 -0.28 -0.06 -0.34 -0.04 1.46 0.73 1s14B1 LYS 2146 HG3 -0.58 0.13 0.04 -0.04 1.46 1.01 1s14B1 LYS 2146 HD2 -0.12 -0.04 -0.08 -0.04 1.69 1.41 1s14B1 LYS 2146 HD3 -0.17 -0.00 -0.01 -0.04 1.68 1.46 1s14B1 LYS 2146 HE2 -0.10 0.03 -0.01 -0.04 2.99 2.87 1s14B1 LYS 2146 HE3 -0.10 -0.00 -0.10 -0.04 2.99 2.74 1s14B1 VAL 2147 H -0.30 0.60 0.42 -0.55 8.24 8.42 1s14B1 VAL 2147 HA -0.11 0.20 0.90 -0.75 4.13 4.37 1s14B1 VAL 2147 HB -0.07 -0.03 0.10 -0.04 2.12 2.09 1s14B1 VAL 2147 HG13 -0.06 0.04 -0.14 -0.04 0.97 0.77 1s14B1 VAL 2147 HG23 -0.06 -0.01 -0.28 -0.04 0.95 0.56 1s14B1 GLN 2148 H -0.20 0.23 0.16 -0.55 8.47 8.11 1s14B1 GLN 2148 HA -0.05 0.11 0.67 -0.75 4.36 4.32 1s14B1 GLN 2148 HB2 -0.03 0.11 -0.04 -0.04 2.15 2.15 1s14B1 GLN 2148 HB3 -0.03 -0.15 0.07 -0.04 2.02 1.87 1s14B1 GLN 2148 HG2 0.01 -0.06 -0.13 -0.04 2.40 2.18 1s14B1 GLN 2148 HG3 0.01 0.07 -0.30 -0.04 2.39 2.13 1s14B1 GLN 2148 HE21 0.00 -0.12 -0.03 -0.04 6.97 6.78 1s14B1 GLN 2148 HE22 0.02 0.62 -0.05 -0.04 7.69 8.23 1s14B1 ASP 2149 H -0.04 0.13 0.09 -0.55 8.40 8.04 1s14B1 ASP 2149 HA -0.03 0.00 0.50 -0.75 4.63 4.35 1s14B1 ASP 2149 HB2 -0.01 0.01 0.10 -0.04 2.71 2.77 1s14B1 ASP 2149 HB3 0.00 0.08 0.10 -0.04 2.70 2.84 1s14B1 LEU 2150 H 0.03 0.01 0.22 -0.55 8.37 8.09 1s14B1 LEU 2150 HA 0.09 0.26 0.54 -0.75 4.35 4.48 1s14B1 LEU 2150 HB2 0.06 -0.07 0.19 -0.04 1.64 1.78 1s14B1 LEU 2150 HB3 0.07 -0.01 0.11 -0.04 1.64 1.77 1s14B1 LEU 2150 HG 0.19 -0.01 -0.08 -0.04 1.64 1.71 1s14B1 LEU 2150 HD13 0.10 0.03 -0.12 -0.04 0.93 0.91 1s14B1 LEU 2150 HD23 -0.04 -0.03 0.03 -0.04 0.89 0.80 1s14B1 GLN 2151 H 0.12 0.31 0.40 -0.55 8.47 8.75 1s14B1 GLN 2151 HA 0.07 0.04 0.66 -0.75 4.36 4.37 1s14B1 GLN 2151 HB2 0.02 -0.02 0.09 -0.04 2.15 2.21 1s14B1 GLN 2151 HB3 0.03 0.19 -0.28 -0.04 2.02 1.92 1s14B1 GLN 2151 HG2 0.02 -0.14 -0.33 -0.04 2.40 1.91 1s14B1 GLN 2151 HG3 0.01 0.10 -0.24 -0.04 2.39 2.22 1s14B1 GLN 2151 HE21 0.00 -0.04 -0.04 -0.04 6.97 6.85 1s14B1 GLN 2151 HE22 0.00 0.01 -0.04 -0.04 7.69 7.62 1s14B1 VAL 2152 H 0.00 0.14 0.18 -0.55 8.24 8.01 1s14B1 VAL 2152 HA -0.25 0.19 0.73 -0.75 4.13 4.05 1s14B1 VAL 2152 HB -0.08 -0.01 0.20 -0.04 2.12 2.19 1s14B1 VAL 2152 HG13 -0.19 -0.00 -0.01 -0.04 0.97 0.73 1s14B1 VAL 2152 HG23 -0.27 -0.00 0.03 -0.04 0.95 0.66 1s14B1 VAL 2153 H -0.09 0.69 0.46 -0.55 8.24 8.75 1s14B1 VAL 2153 HA -0.02 0.19 0.94 -0.75 4.13 4.48 1s14B1 VAL 2153 HB -0.00 -0.04 0.12 -0.04 2.12 2.16 1s14B1 VAL 2153 HG13 0.01 0.02 -0.10 -0.04 0.97 0.86 1s14B1 VAL 2153 HG23 -0.00 0.02 -0.13 -0.04 0.95 0.80 1s14B1 GLY 2154 H -0.10 0.21 0.19 -0.55 8.43 8.18 1s14B1 GLY 2154 HA2 -0.04 0.03 0.31 -0.51 4.01 3.80 1s14B1 GLY 2154 HA3 -0.03 0.15 0.58 -0.51 4.01 4.20 1s14B1 THR 2155 H -0.03 0.13 0.19 -0.55 8.28 8.03 1s14B1 THR 2155 HA -0.05 0.27 1.02 -0.75 4.39 4.87 1s14B1 THR 2155 HB -0.02 0.07 0.14 -0.04 4.32 4.47 1s14B1 THR 2155 HG23 -0.03 0.00 0.01 -0.04 1.22 1.16 1s14B1 CYS 2156 H -0.01 0.65 0.15 -0.55 8.50 8.74 1s14B1 CYS 2156 HA 0.00 0.05 0.52 -0.75 4.58 4.40 1s14B1 CYS 2156 HB2 0.01 -0.05 0.01 -0.04 2.97 2.90 1s14B1 CYS 2156 HB3 0.00 0.06 -0.32 -0.04 2.97 2.67 1s14B1 GLY 2157 H 0.01 0.11 0.09 -0.55 8.43 8.09 1s14B1 GLY 2157 HA2 0.01 0.05 0.41 -0.51 4.01 3.96 1s14B1 GLY 2157 HA3 0.01 0.02 0.33 -0.51 4.01 3.85 1s14B1 LYS 2158 H 0.01 0.12 0.20 -0.55 8.42 8.20 1s14B1 LYS 2158 HA 0.02 0.06 0.39 -0.75 4.32 4.04 1s14B1 LYS 2158 HB2 0.01 -0.04 0.19 -0.04 1.87 1.98 1s14B1 LYS 2158 HB3 0.01 0.05 -0.05 -0.04 1.79 1.77 1s14B1 LYS 2158 HG2 0.02 0.04 -0.01 -0.04 1.46 1.47 1s14B1 LYS 2158 HG3 0.01 0.01 0.04 -0.04 1.46 1.48 1s14B1 LYS 2158 HD2 0.01 0.02 -0.01 -0.04 1.69 1.67 1s14B1 LYS 2158 HD3 0.01 0.00 -0.02 -0.04 1.68 1.63 1s14B1 LYS 2158 HE2 0.02 0.02 -0.01 -0.04 2.99 2.97 1s14B1 LYS 2158 HE3 0.02 -0.05 -0.05 -0.04 2.99 2.88 1s14B1 ARG 2159 H 0.01 0.02 -0.14 -0.55 8.46 7.81 1s14B1 ARG 2159 HA 0.02 0.19 0.53 -0.75 4.34 4.32 1s14B1 ARG 2159 HB2 0.01 -0.05 0.02 -0.04 1.90 1.84 1s14B1 ARG 2159 HB3 0.02 0.07 0.13 -0.04 1.80 1.98 1s14B1 ARG 2159 HG2 0.02 0.05 -0.04 -0.04 1.67 1.66 1s14B1 ARG 2159 HG3 0.01 -0.07 0.01 -0.04 1.67 1.57 1s14B1 ARG 2159 HD2 0.02 0.05 0.03 -0.04 3.22 3.27 1s14B1 ARG 2159 HD3 0.01 -0.01 0.01 -0.04 3.22 3.19 1s14B1 ASN 2160 H 0.02 0.27 -0.81 -0.55 8.53 7.46 1s14B1 ASN 2160 HA 0.02 0.12 0.67 -0.75 4.76 4.81 1s14B1 ASN 2160 HB2 0.01 -0.12 -0.00 -0.04 2.88 2.73 1s14B1 ASN 2160 HB3 0.02 0.12 0.08 -0.04 2.79 2.97 1s14B1 ASN 2160 HD21 0.02 0.01 -0.10 -0.04 7.03 6.92 1s14B1 ASN 2160 HD22 0.01 -0.14 -0.01 -0.04 7.74 7.56 1s14B1 THR 2161 H 0.03 0.33 0.12 -0.55 8.28 8.20 1s14B1 THR 2161 HA 0.04 0.23 0.91 -0.75 4.39 4.81 1s14B1 THR 2161 HB 0.02 0.09 0.04 -0.04 4.32 4.43 1s14B1 THR 2161 HG23 0.03 -0.07 -0.21 -0.04 1.22 0.92 1s14B1 GLY 2162 H 0.04 0.43 0.21 -0.55 8.43 8.57 1s14B1 GLY 2162 HA2 0.03 -0.18 0.05 -0.51 4.01 3.40 1s14B1 GLY 2162 HA3 0.04 0.32 0.68 -0.51 4.01 4.53 1s14B1 THR 2163 H 0.04 0.23 0.30 -0.55 8.28 8.30 1s14B1 THR 2163 HA 0.05 0.35 1.18 -0.75 4.39 5.22 1s14B1 THR 2163 HB 0.03 -0.01 0.06 -0.04 4.32 4.37 1s14B1 THR 2163 HG23 0.04 0.03 -0.05 -0.04 1.22 1.21 1s14B1 SER 2164 H 0.07 0.56 0.36 -0.55 8.46 8.90 1s14B1 SER 2164 HA 0.05 0.32 1.17 -0.75 4.49 5.28 1s14B1 SER 2164 HB2 0.05 0.01 -0.01 -0.04 3.95 3.96 1s14B1 SER 2164 HB3 0.08 0.01 0.19 -0.04 3.93 4.17 1s14B1 VAL 2165 H 0.07 0.68 0.35 -0.55 8.24 8.79 1s14B1 VAL 2165 HA 0.13 0.24 1.07 -0.75 4.13 4.83 1s14B1 VAL 2165 HB 0.10 -0.02 0.21 -0.04 2.12 2.36 1s14B1 VAL 2165 HG13 0.11 -0.00 -0.13 -0.04 0.97 0.90 1s14B1 VAL 2165 HG23 0.04 -0.00 -0.09 -0.04 0.95 0.86 1s14B1 HIS 2166 H 0.25 0.71 0.36 -0.55 8.41 9.18 1s14B1 HIS 2166 HA -0.09 0.28 1.08 -0.75 4.63 5.14 1s14B1 HIS 2166 HB2 -0.02 -0.03 -0.08 -0.04 3.26 3.10 1s14B1 HIS 2166 HB3 0.07 -0.02 0.19 -0.04 3.20 3.39 1s14B1 HIS 2166 HD2 -0.92 0.15 -0.14 -0.04 6.97 6.01 1s14B1 HIS 2166 HE1 -0.88 -0.03 -0.11 -0.04 7.75 6.68 1s14B1 PHE 2167 H -0.09 0.61 0.36 -0.55 8.34 8.66 1s14B1 PHE 2167 HA 0.28 0.27 1.11 -0.75 4.62 5.52 1s14B1 PHE 2167 HB2 0.19 0.08 0.03 -0.04 3.15 3.41 1s14B1 PHE 2167 HB3 0.13 -0.04 -0.13 -0.04 3.06 2.97 1s14B1 PHE 2167 HD2 0.10 0.02 -0.16 -0.04 7.28 7.20 1s14B1 PHE 2167 HE2 0.10 -0.00 -0.06 -0.04 7.38 7.38 1s14B1 PHE 2167 HZ 0.17 -0.09 -0.13 -0.04 7.32 7.23 1s14B1 TRP 2168 H 0.69 0.67 0.28 -0.55 7.97 9.08 1s14B1 TRP 2168 HA 0.05 0.17 0.92 -0.75 4.62 5.01 1s14B1 TRP 2168 HB2 0.07 -0.10 0.24 -0.04 3.23 3.40 1s14B1 TRP 2168 HB3 0.05 0.09 0.08 -0.04 3.23 3.42 1s14B1 TRP 2168 HD1 0.02 0.11 -0.04 -0.04 7.22 7.26 1s14B1 TRP 2168 HE1 -0.05 -0.04 -0.08 -0.04 10.20 9.99 1s14B1 TRP 2168 HE3 -0.00 0.22 -0.23 -0.04 7.59 7.53 1s14B1 TRP 2168 HZ2 -0.36 -0.01 -0.10 -0.04 7.44 6.92 1s14B1 TRP 2168 HZ3 -0.21 0.02 -0.19 -0.04 7.13 6.71 1s14B1 TRP 2168 HH2 -0.61 0.01 -0.12 -0.04 7.19 6.44 1s14B1 PRO 2169 HA 0.39 0.12 0.49 -0.51 4.44 4.93 1s14B1 PRO 2169 HB2 -0.08 0.05 0.03 -0.04 2.28 2.23 1s14B1 PRO 2169 HB3 -0.09 0.04 0.05 -0.04 2.02 1.98 1s14B1 PRO 2169 HG2 -0.17 0.04 0.10 -0.04 2.03 1.96 1s14B1 PRO 2169 HG3 0.35 -0.02 0.02 -0.04 2.03 2.34 1s14B1 PRO 2169 HD2 0.07 0.27 0.29 -0.04 3.68 4.26 1s14B1 PRO 2169 HD3 -0.12 0.20 0.13 -0.04 3.65 3.82 1s14B1 ASP 2170 H 0.46 0.72 0.39 -0.55 8.40 9.43 1s14B1 ASP 2170 HA 0.14 0.08 0.77 -0.75 4.63 4.86 1s14B1 ASP 2170 HB2 0.21 0.00 -0.06 -0.04 2.71 2.82 1s14B1 ASP 2170 HB3 0.20 0.08 0.16 -0.04 2.70 3.10 1s14B1 GLU 2171 H 0.09 0.23 0.17 -0.55 8.60 8.54 1s14B1 GLU 2171 HA 0.21 0.06 0.23 -0.75 4.29 4.03 1s14B1 GLU 2171 HB2 0.05 0.07 0.05 -0.04 2.09 2.21 1s14B1 GLU 2171 HB3 0.06 0.00 0.11 -0.04 1.99 2.13 1s14B1 GLU 2171 HG2 0.01 -0.04 0.03 -0.04 2.34 2.30 1s14B1 GLU 2171 HG3 0.03 0.02 0.02 -0.04 2.34 2.37 1s14B1 THR 2172 H -0.14 -0.01 -0.62 -0.55 8.28 6.96 1s14B1 THR 2172 HA -0.09 0.13 0.46 -0.75 4.39 4.12 1s14B1 THR 2172 HB -0.27 0.04 0.05 -0.04 4.32 4.10 1s14B1 THR 2172 HG23 -0.14 -0.02 -0.01 -0.04 1.22 1.01 1s14B1 PHE 2173 H -0.13 0.47 -0.14 -0.55 8.34 7.99 1s14B1 PHE 2173 HA -0.17 0.18 0.71 -0.75 4.62 4.58 1s14B1 PHE 2173 HB2 -0.54 0.05 0.04 -0.04 3.15 2.66 1s14B1 PHE 2173 HB3 -0.47 -0.08 0.12 -0.04 3.06 2.58 1s14B1 PHE 2173 HD2 -0.01 0.07 0.03 -0.04 7.28 7.33 1s14B1 PHE 2173 HE2 0.02 0.08 -0.01 -0.04 7.38 7.43 1s14B1 PHE 2173 HZ 0.01 0.01 0.00 -0.04 7.32 7.31 1s14B1 PHE 2174 H 0.14 0.34 -0.46 -0.55 8.34 7.80 1s14B1 PHE 2174 HA 0.06 0.25 0.94 -0.75 4.62 5.12 1s14B1 PHE 2174 HB2 0.02 -0.05 -0.28 -0.04 3.15 2.80 1s14B1 PHE 2174 HB3 0.01 0.04 -0.21 -0.04 3.06 2.86 1s14B1 PHE 2174 HD2 0.07 0.05 -0.31 -0.04 7.28 7.05 1s14B1 PHE 2174 HE2 0.15 0.03 -0.12 -0.04 7.38 7.40 1s14B1 PHE 2174 HZ 0.13 -0.06 -0.11 -0.04 7.32 7.24 1s14B1 ASP 2175 H 0.14 0.64 0.23 -0.55 8.40 8.86 1s14B1 ASP 2175 HA 0.06 0.02 0.40 -0.75 4.63 4.35 1s14B1 ASP 2175 HB2 0.07 0.16 0.25 -0.04 2.71 3.14 1s14B1 ASP 2175 HB3 0.04 -0.07 0.09 -0.04 2.70 2.73 1s14B1 SER 2176 H 0.13 0.27 -0.21 -0.55 8.46 8.09 1s14B1 SER 2176 HA 0.04 0.19 0.71 -0.75 4.49 4.68 1s14B1 SER 2176 HB2 0.02 0.05 0.01 -0.04 3.95 4.00 1s14B1 SER 2176 HB3 0.02 0.11 0.12 -0.04 3.93 4.13 1s14B1 PRO 2177 HA -0.15 0.10 0.54 -0.51 4.44 4.43 1s14B1 PRO 2177 HB2 -0.00 0.05 0.07 -0.04 2.28 2.36 1s14B1 PRO 2177 HB3 0.04 -0.01 0.08 -0.04 2.02 2.09 1s14B1 PRO 2177 HG2 0.01 -0.00 -0.00 -0.04 2.03 1.99 1s14B1 PRO 2177 HG3 0.03 0.05 0.07 -0.04 2.03 2.13 1s14B1 PRO 2177 HD2 0.02 0.07 0.24 -0.04 3.68 3.97 1s14B1 PRO 2177 HD3 0.04 0.27 0.11 -0.04 3.65 4.03 1s14B1 ARG 2178 H -0.04 0.06 -0.22 -0.55 8.46 7.70 1s14B1 ARG 2178 HA -0.01 0.08 0.52 -0.75 4.34 4.18 1s14B1 ARG 2178 HB2 -0.00 -0.02 0.05 -0.04 1.90 1.89 1s14B1 ARG 2178 HB3 0.02 0.05 -0.08 -0.04 1.80 1.75 1s14B1 ARG 2178 HG2 0.03 0.02 0.02 -0.04 1.67 1.70 1s14B1 ARG 2178 HG3 0.01 -0.00 0.01 -0.04 1.67 1.65 1s14B1 ARG 2178 HD2 0.02 0.02 0.01 -0.04 3.22 3.24 1s14B1 ARG 2178 HD3 0.02 0.01 0.02 -0.04 3.22 3.23 1s14B1 PHE 2179 H 0.17 0.14 0.18 -0.55 8.34 8.28 1s14B1 PHE 2179 HA -0.04 0.02 0.50 -0.75 4.62 4.34 1s14B1 PHE 2179 HB2 -0.02 -0.00 0.08 -0.04 3.15 3.17 1s14B1 PHE 2179 HB3 -0.02 -0.04 -0.17 -0.04 3.06 2.80 1s14B1 PHE 2179 HD2 -0.06 -0.02 -0.05 -0.04 7.28 7.10 1s14B1 PHE 2179 HE2 -0.11 0.11 -0.09 -0.04 7.38 7.25 1s14B1 PHE 2179 HZ -0.25 -0.00 -0.02 -0.04 7.32 7.01 1s14B1 SER 2180 H 0.09 0.11 0.08 -0.55 8.46 8.20 1s14B1 SER 2180 HA 0.04 0.17 0.65 -0.75 4.49 4.60 1s14B1 SER 2180 HB2 0.02 0.16 0.06 -0.04 3.95 4.14 1s14B1 SER 2180 HB3 0.03 -0.03 0.16 -0.04 3.93 4.04 1s14B1 VAL 2181 H 0.05 0.30 0.10 -0.55 8.24 8.14 1s14B1 VAL 2181 HA 0.00 0.09 0.33 -0.75 4.13 3.79 1s14B1 VAL 2181 HB 0.05 0.00 0.13 -0.04 2.12 2.25 1s14B1 VAL 2181 HG13 0.14 0.02 -0.17 -0.04 0.97 0.92 1s14B1 VAL 2181 HG23 0.13 0.04 0.01 -0.04 0.95 1.10 1s14B1 SER 2182 H -0.06 0.15 -0.05 -0.55 8.46 7.96 1s14B1 SER 2182 HA -0.26 0.11 0.35 -0.75 4.49 3.93 1s14B1 SER 2182 HB2 -0.23 0.08 0.04 -0.04 3.95 3.80 1s14B1 SER 2182 HB3 -0.08 0.03 0.09 -0.04 3.93 3.94 1s14B1 ARG 2183 H -0.11 0.05 -0.35 -0.55 8.46 7.50 1s14B1 ARG 2183 HA -0.09 0.09 0.36 -0.75 4.34 3.93 1s14B1 ARG 2183 HB2 -0.02 0.04 0.04 -0.04 1.90 1.92 1s14B1 ARG 2183 HB3 -0.00 0.03 -0.03 -0.04 1.80 1.76 1s14B1 ARG 2183 HG2 0.02 0.06 -0.01 -0.04 1.67 1.70 1s14B1 ARG 2183 HG3 -0.01 -0.06 -0.01 -0.04 1.67 1.54 1s14B1 ARG 2183 HD2 0.02 -0.04 0.00 -0.04 3.22 3.16 1s14B1 ARG 2183 HD3 0.03 0.01 -0.02 -0.04 3.22 3.20 1s14B1 LEU 2184 H -0.12 0.40 -0.30 -0.55 8.37 7.80 1s14B1 LEU 2184 HA -0.11 0.02 0.38 -0.75 4.35 3.89 1s14B1 LEU 2184 HB2 -0.20 0.10 0.19 -0.04 1.64 1.69 1s14B1 LEU 2184 HB3 -0.52 0.00 -0.08 -0.04 1.64 1.00 1s14B1 LEU 2184 HG 0.03 -0.05 -0.05 -0.04 1.64 1.54 1s14B1 LEU 2184 HD13 -0.20 -0.01 -0.11 -0.04 0.93 0.56 1s14B1 LEU 2184 HD23 -0.09 -0.00 -0.04 -0.04 0.89 0.72 1s14B1 THR 2185 H -0.32 0.59 -0.06 -0.55 8.28 7.95 1s14B1 THR 2185 HA -0.29 0.04 0.36 -0.75 4.39 3.74 1s14B1 THR 2185 HB 0.04 -0.01 -0.03 -0.04 4.32 4.28 1s14B1 THR 2185 HG23 -0.19 0.02 -0.04 -0.04 1.22 0.97 1s14B1 HIS 2186 H -0.27 0.59 -0.13 -0.55 8.41 8.06 1s14B1 HIS 2186 HA -0.18 0.03 0.41 -0.75 4.63 4.13 1s14B1 HIS 2186 HB2 -0.08 0.04 0.12 -0.04 3.26 3.29 1s14B1 HIS 2186 HB3 -0.09 -0.01 -0.02 -0.04 3.20 3.04 1s14B1 HIS 2186 HD2 -0.07 -0.03 -0.07 -0.04 6.97 6.75 1s14B1 HIS 2186 HE1 -0.01 -0.03 -0.07 -0.04 7.75 7.60 1s14B1 VAL 2187 H -0.06 0.45 -0.21 -0.55 8.24 7.87 1s14B1 VAL 2187 HA -0.07 0.05 0.43 -0.75 4.13 3.79 1s14B1 VAL 2187 HB -0.07 0.10 0.11 -0.04 2.12 2.22 1s14B1 VAL 2187 HG13 -0.04 -0.01 -0.08 -0.04 0.97 0.79 1s14B1 VAL 2187 HG23 -0.01 0.05 0.04 -0.04 0.95 0.98 1s14B1 LEU 2188 H -0.18 0.53 -0.11 -0.55 8.37 8.05 1s14B1 LEU 2188 HA -0.10 0.02 0.35 -0.75 4.35 3.87 1s14B1 LEU 2188 HB2 -0.26 0.05 0.13 -0.04 1.64 1.52 1s14B1 LEU 2188 HB3 -0.14 -0.01 -0.13 -0.04 1.64 1.32 1s14B1 LEU 2188 HG -0.11 0.05 -0.02 -0.04 1.64 1.52 1s14B1 LEU 2188 HD13 0.07 -0.02 -0.13 -0.04 0.93 0.81 1s14B1 LEU 2188 HD23 0.03 -0.01 -0.05 -0.04 0.89 0.83 1s14B1 LYS 2189 H -0.47 0.66 -0.23 -0.55 8.42 7.82 1s14B1 LYS 2189 HA -0.73 0.01 0.38 -0.75 4.32 3.22 1s14B1 LYS 2189 HB2 -0.44 0.17 0.17 -0.04 1.87 1.73 1s14B1 LYS 2189 HB3 -0.39 -0.03 -0.06 -0.04 1.79 1.28 1s14B1 LYS 2189 HG2 -1.06 -0.04 -0.01 -0.04 1.46 0.31 1s14B1 LYS 2189 HG3 -2.58 -0.03 -0.03 -0.04 1.46 -1.23 1s14B1 LYS 2189 HD2 -0.18 -0.05 -0.07 -0.04 1.69 1.35 1s14B1 LYS 2189 HD3 -0.31 0.04 -0.14 -0.04 1.68 1.24 1s14B1 LYS 2189 HE2 -0.15 0.03 -0.04 -0.04 2.99 2.79 1s14B1 LYS 2189 HE3 -0.07 -0.01 -0.04 -0.04 2.99 2.84 1s14B1 ALA 2190 H -0.21 0.48 -0.18 -0.55 8.40 7.95 1s14B1 ALA 2190 HA -0.20 0.01 0.43 -0.75 4.34 3.82 1s14B1 ALA 2190 HB3 -0.12 0.02 0.09 -0.04 1.41 1.37 1s14B1 LYS 2191 H -0.12 0.47 -0.28 -0.55 8.42 7.93 1s14B1 LYS 2191 HA -0.05 0.04 0.43 -0.75 4.32 3.98 1s14B1 LYS 2191 HB2 -0.06 0.10 0.13 -0.04 1.87 2.00 1s14B1 LYS 2191 HB3 -0.02 -0.03 -0.06 -0.04 1.79 1.64 1s14B1 LYS 2191 HG2 -0.03 -0.01 -0.03 -0.04 1.46 1.35 1s14B1 LYS 2191 HG3 -0.05 -0.02 -0.04 -0.04 1.46 1.30 1s14B1 LYS 2191 HD2 -0.05 0.03 -0.19 -0.04 1.69 1.44 1s14B1 LYS 2191 HD3 -0.02 -0.05 -0.12 -0.04 1.68 1.46 1s14B1 LYS 2191 HE2 -0.03 0.01 -0.06 -0.04 2.99 2.88 1s14B1 LYS 2191 HE3 -0.04 -0.01 -0.06 -0.04 2.99 2.83 1s14B1 ALA 2192 H -0.07 0.41 -0.26 -0.55 8.40 7.93 1s14B1 ALA 2192 HA 0.10 0.10 0.35 -0.75 4.34 4.12 1s14B1 ALA 2192 HB3 0.23 0.01 0.04 -0.04 1.41 1.65 1s14B1 VAL 2193 H -0.21 0.42 -0.20 -0.55 8.24 7.71 1s14B1 VAL 2193 HA -0.49 -0.06 0.34 -0.75 4.13 3.16 1s14B1 VAL 2193 HB -0.27 0.14 0.16 -0.04 2.12 2.10 1s14B1 VAL 2193 HG13 -0.25 -0.02 -0.12 -0.04 0.97 0.54 1s14B1 VAL 2193 HG23 -0.85 0.03 0.02 -0.04 0.95 0.11 1s14B1 LEU 2194 H -0.10 0.43 -0.29 -0.55 8.37 7.87 1s14B1 LEU 2194 HA -0.06 0.05 0.53 -0.75 4.35 4.12 1s14B1 LEU 2194 HB2 -0.05 0.03 0.09 -0.04 1.64 1.67 1s14B1 LEU 2194 HB3 -0.04 -0.06 0.14 -0.04 1.64 1.64 1s14B1 LEU 2194 HG -0.10 0.18 0.07 -0.04 1.64 1.75 1s14B1 LEU 2194 HD13 -0.05 -0.04 -0.04 -0.04 0.93 0.76 1s14B1 LEU 2194 HD23 -0.06 -0.01 -0.04 -0.04 0.89 0.73 1s14B1 CYS 2195 H 0.00 0.32 -0.68 -0.55 8.50 7.60 1s14B1 CYS 2195 HA 0.01 0.14 0.79 -0.75 4.58 4.76 1s14B1 CYS 2195 HB2 0.01 -0.04 -0.09 -0.04 2.97 2.81 1s14B1 CYS 2195 HB3 0.03 -0.03 0.15 -0.04 2.97 3.08 1s14B1 PRO 2196 HA 0.10 0.17 0.52 -0.51 4.44 4.72 1s14B1 PRO 2196 HB2 0.04 0.07 -0.15 -0.04 2.28 2.20 1s14B1 PRO 2196 HB3 0.05 -0.18 0.01 -0.04 2.02 1.87 1s14B1 PRO 2196 HG2 0.02 0.01 0.06 -0.04 2.03 2.07 1s14B1 PRO 2196 HG3 0.01 0.02 0.04 -0.04 2.03 2.07 1s14B1 PRO 2196 HD2 0.01 0.17 -0.12 -0.04 3.68 3.69 1s14B1 PRO 2196 HD3 0.01 0.26 -0.09 -0.04 3.65 3.79 1s14B1 GLY 2197 H 0.08 0.33 0.10 -0.55 8.43 8.39 1s14B1 GLY 2197 HA2 0.03 -0.11 0.32 -0.51 4.01 3.74 1s14B1 GLY 2197 HA3 0.03 0.19 0.77 -0.51 4.01 4.49 1s14B1 VAL 2198 H 0.06 0.54 -0.20 -0.55 8.24 8.09 1s14B1 VAL 2198 HA 0.04 0.16 0.57 -0.75 4.13 4.15 1s14B1 VAL 2198 HB 0.04 0.07 -0.00 -0.04 2.12 2.19 1s14B1 VAL 2198 HG13 0.08 0.07 -0.03 -0.04 0.97 1.05 1s14B1 VAL 2198 HG23 0.05 -0.05 -0.32 -0.04 0.95 0.59 1s14B1 GLU 2199 H 0.05 0.72 0.45 -0.55 8.60 9.27 1s14B1 GLU 2199 HA 0.07 0.20 0.93 -0.75 4.29 4.74 1s14B1 GLU 2199 HB2 0.02 0.03 0.10 -0.04 2.09 2.19 1s14B1 GLU 2199 HB3 0.03 -0.02 0.27 -0.04 1.99 2.22 1s14B1 GLU 2199 HG2 0.01 -0.07 -0.32 -0.04 2.34 1.92 1s14B1 GLU 2199 HG3 0.00 0.01 -0.08 -0.04 2.34 2.23 1s14B1 ILE 2200 H 0.19 0.69 0.39 -0.55 8.25 8.98 1s14B1 ILE 2200 HA 0.13 0.32 1.21 -0.75 4.18 5.09 1s14B1 ILE 2200 HB 0.43 -0.04 0.12 -0.04 1.89 2.36 1s14B1 ILE 2200 HG12 0.12 -0.01 -0.08 -0.04 1.49 1.47 1s14B1 ILE 2200 HG13 0.14 0.03 -0.41 -0.04 1.21 0.93 1s14B1 ILE 2200 HG23 0.32 -0.01 -0.12 -0.04 0.93 1.08 1s14B1 ILE 2200 HD13 0.09 -0.01 -0.12 -0.04 0.88 0.80 1s14B1 THR 2201 H 0.09 0.53 0.45 -0.55 8.28 8.81 1s14B1 THR 2201 HA -0.17 0.29 1.27 -0.75 4.39 5.02 1s14B1 THR 2201 HB -0.12 0.02 0.08 -0.04 4.32 4.26 1s14B1 THR 2201 HG23 -0.07 0.00 -0.16 -0.04 1.22 0.95 1s14B1 PHE 2202 H -0.14 0.70 0.37 -0.55 8.34 8.72 1s14B1 PHE 2202 HA -0.03 0.31 1.01 -0.75 4.62 5.16 1s14B1 PHE 2202 HB2 0.26 0.04 -0.10 -0.04 3.15 3.32 1s14B1 PHE 2202 HB3 0.03 -0.03 0.09 -0.04 3.06 3.11 1s14B1 PHE 2202 HD2 0.03 0.03 -0.09 -0.04 7.28 7.21 1s14B1 PHE 2202 HE2 -0.07 -0.03 -0.14 -0.04 7.38 7.10 1s14B1 PHE 2202 HZ -0.06 -0.06 -0.08 -0.04 7.32 7.08 1s14B1 LYS 2203 H -0.42 0.73 0.42 -0.55 8.42 8.60 1s14B1 LYS 2203 HA -0.40 0.23 1.10 -0.75 4.32 4.50 1s14B1 LYS 2203 HB2 -0.23 0.01 0.01 -0.04 1.87 1.62 1s14B1 LYS 2203 HB3 -0.30 -0.04 0.19 -0.04 1.79 1.59 1s14B1 LYS 2203 HG2 -0.27 -0.09 -0.22 -0.04 1.46 0.84 1s14B1 LYS 2203 HG3 -0.22 0.10 0.01 -0.04 1.46 1.31 1s14B1 LYS 2203 HD2 -0.15 0.02 -0.06 -0.04 1.69 1.46 1s14B1 LYS 2203 HD3 -0.18 -0.03 -0.06 -0.04 1.68 1.36 1s14B1 LYS 2203 HE2 -0.16 -0.04 -0.10 -0.04 2.99 2.65 1s14B1 LYS 2203 HE3 -0.13 0.04 -0.09 -0.04 2.99 2.77 1s14B1 ASP 2204 H -0.44 0.80 0.30 -0.55 8.40 8.52 1s14B1 ASP 2204 HA -0.46 0.14 1.06 -0.75 4.63 4.62 1s14B1 ASP 2204 HB2 -0.47 0.07 -0.02 -0.04 2.71 2.25 1s14B1 ASP 2204 HB3 -0.19 -0.00 0.20 -0.04 2.70 2.66 1s14B1 GLU 2205 H -0.24 0.70 0.24 -0.55 8.60 8.75 1s14B1 GLU 2205 HA -0.13 0.14 0.67 -0.75 4.29 4.22 1s14B1 GLU 2205 HB2 -0.16 0.02 0.16 -0.04 2.09 2.08 1s14B1 GLU 2205 HB3 -0.08 0.00 0.21 -0.04 1.99 2.08 1s14B1 GLU 2205 HG2 -0.16 0.05 -0.07 -0.04 2.34 2.12 1s14B1 GLU 2205 HG3 -0.29 0.00 -0.14 -0.04 2.34 1.87 1s14B1 ILE 2206 H -0.08 -0.08 -0.33 -0.55 8.25 7.20 1s14B1 ILE 2206 HA -0.01 0.25 0.86 -0.75 4.18 4.52 1s14B1 ILE 2206 HB -0.00 -0.12 0.07 -0.04 1.89 1.80 1s14B1 ILE 2206 HG12 0.01 0.13 0.04 -0.04 1.49 1.63 1s14B1 ILE 2206 HG13 -0.02 0.01 -0.27 -0.04 1.21 0.89 1s14B1 ILE 2206 HG23 0.02 0.02 -0.11 -0.04 0.93 0.82 1s14B1 ILE 2206 HD13 0.05 -0.02 0.00 -0.04 0.88 0.86 1s14B1 ASN 2207 H -0.04 -0.07 -0.02 -0.55 8.53 7.86 1s14B1 ASN 2207 HA -0.01 0.27 0.82 -0.75 4.76 5.09 1s14B1 ASN 2207 HB2 0.01 -0.06 0.01 -0.04 2.88 2.80 1s14B1 ASN 2207 HB3 0.01 0.06 0.11 -0.04 2.79 2.93 1s14B1 ASN 2207 HD21 0.05 0.02 -0.02 -0.04 7.03 7.04 1s14B1 ASN 2207 HD22 0.06 -0.04 -0.00 -0.04 7.74 7.71 1s14B1 ASN 2208 H -0.06 -0.00 -0.24 -0.55 8.53 7.68 1s14B1 ASN 2208 HA -0.08 0.05 0.37 -0.75 4.76 4.34 1s14B1 ASN 2208 HB2 -0.03 0.17 -0.16 -0.04 2.88 2.82 1s14B1 ASN 2208 HB3 -0.04 -0.02 0.17 -0.04 2.79 2.86 1s14B1 ASN 2208 HD21 -0.02 0.01 -0.08 -0.04 7.03 6.90 1s14B1 ASN 2208 HD22 -0.02 0.01 -0.11 -0.04 7.74 7.58 1s14B1 THR 2209 H -0.12 0.31 0.23 -0.55 8.28 8.15 1s14B1 THR 2209 HA -0.07 0.25 0.92 -0.75 4.39 4.73 1s14B1 THR 2209 HB -0.02 0.03 0.06 -0.04 4.32 4.34 1s14B1 THR 2209 HG23 -0.01 0.01 -0.35 -0.04 1.22 0.83 1s14B1 GLU 2210 H -0.09 0.32 0.21 -0.55 8.60 8.49 1s14B1 GLU 2210 HA -0.21 0.22 0.97 -0.75 4.29 4.52 1s14B1 GLU 2210 HB2 -0.15 0.01 -0.12 -0.04 2.09 1.79 1s14B1 GLU 2210 HB3 -0.12 0.00 0.05 -0.04 1.99 1.88 1s14B1 GLU 2210 HG2 -0.15 -0.01 -0.21 -0.04 2.34 1.93 1s14B1 GLU 2210 HG3 -0.18 0.03 0.01 -0.04 2.34 2.15 1s14B1 GLN 2211 H -0.24 0.57 0.37 -0.55 8.47 8.62 1s14B1 GLN 2211 HA -0.32 0.16 0.86 -0.75 4.36 4.31 1s14B1 GLN 2211 HB2 -0.50 -0.04 0.02 -0.04 2.15 1.58 1s14B1 GLN 2211 HB3 -0.61 0.05 0.06 -0.04 2.02 1.49 1s14B1 GLN 2211 HG2 -0.07 0.09 -0.06 -0.04 2.40 2.32 1s14B1 GLN 2211 HG3 -0.07 -0.17 -0.70 -0.04 2.39 1.42 1s14B1 GLN 2211 HE21 0.23 -0.03 -0.06 -0.04 6.97 7.06 1s14B1 GLN 2211 HE22 0.13 0.05 -0.04 -0.04 7.69 7.79 1s14B1 ARG 2212 H -0.61 0.28 0.24 -0.55 8.46 7.82 1s14B1 ARG 2212 HA -0.55 0.32 1.07 -0.75 4.34 4.42 1s14B1 ARG 2212 HB2 -0.22 -0.01 -0.02 -0.04 1.90 1.61 1s14B1 ARG 2212 HB3 -0.17 0.06 -0.00 -0.04 1.80 1.65 1s14B1 ARG 2212 HG2 -0.22 0.06 -0.30 -0.04 1.67 1.17 1s14B1 ARG 2212 HG3 -0.23 -0.07 -0.29 -0.04 1.67 1.04 1s14B1 ARG 2212 HD2 -0.11 0.01 -0.09 -0.04 3.22 2.99 1s14B1 ARG 2212 HD3 -0.10 0.03 -0.11 -0.04 3.22 3.01 1s14B1 TRP 2213 H 0.05 0.72 0.39 -0.55 7.97 8.58 1s14B1 TRP 2213 HA -0.10 0.14 0.92 -0.75 4.62 4.82 1s14B1 TRP 2213 HB2 0.08 0.02 0.04 -0.04 3.23 3.32 1s14B1 TRP 2213 HB3 0.01 -0.00 0.02 -0.04 3.23 3.22 1s14B1 TRP 2213 HD1 0.04 0.02 -0.01 -0.04 7.22 7.23 1s14B1 TRP 2213 HE1 0.06 -0.01 -0.07 -0.04 10.20 10.13 1s14B1 TRP 2213 HE3 0.06 0.08 -0.13 -0.04 7.59 7.55 1s14B1 TRP 2213 HZ2 0.06 -0.03 -0.10 -0.04 7.44 7.33 1s14B1 TRP 2213 HZ3 0.06 -0.00 -0.30 -0.04 7.13 6.84 1s14B1 TRP 2213 HH2 0.02 -0.07 -0.11 -0.04 7.19 7.00 1s14B1 CYS 2214 H -0.17 0.21 0.09 -0.55 8.50 8.08 1s14B1 CYS 2214 HA 0.06 0.30 0.61 -0.75 4.58 4.79 1s14B1 CYS 2214 HB2 0.01 0.03 -0.12 -0.04 2.97 2.85 1s14B1 CYS 2214 HB3 -0.05 -0.07 0.01 -0.04 2.97 2.82 1s14B1 TYR 2215 H 0.18 0.39 0.02 -0.55 8.29 8.32 1s14B1 TYR 2215 HA 0.04 0.09 0.84 -0.75 4.56 4.77 1s14B1 TYR 2215 HB2 0.02 0.24 0.12 -0.04 3.06 3.40 1s14B1 TYR 2215 HB3 0.01 -0.05 0.08 -0.04 2.98 2.98 1s14B1 TYR 2215 HD2 0.03 0.04 -0.18 -0.04 7.15 7.00 1s14B1 TYR 2215 HE2 -0.00 0.01 -0.05 -0.04 6.85 6.77 1s14B1 GLN 2216 H 0.03 0.21 0.08 -0.55 8.47 8.25 1s14B1 GLN 2216 HA 0.04 0.09 0.35 -0.75 4.36 4.09 1s14B1 GLN 2216 HB2 0.02 -0.04 0.09 -0.04 2.15 2.18 1s14B1 GLN 2216 HB3 0.02 0.05 0.01 -0.04 2.02 2.06 1s14B1 GLN 2216 HG2 0.01 0.02 0.02 -0.04 2.40 2.41 1s14B1 GLN 2216 HG3 0.01 0.02 -0.02 -0.04 2.39 2.36 1s14B1 GLN 2216 HE21 -0.01 -0.00 0.03 -0.04 6.97 6.95 1s14B1 GLN 2216 HE22 0.01 -0.00 0.02 -0.04 7.69 7.67 1s14B1 ASP 2217 H 0.09 -0.04 -0.38 -0.55 8.40 7.53 1s14B1 ASP 2217 HA 0.04 0.24 0.37 -0.75 4.63 4.52 1s14B1 ASP 2217 HB2 0.02 0.03 0.06 -0.04 2.71 2.78 1s14B1 ASP 2217 HB3 0.03 0.09 -0.26 -0.04 2.70 2.52