============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 7 0.840 53.374 19.412 36.106 -99.200 -91.000 TYR 19 0.840 52.045 25.735 43.152 -99.200 -91.000 TRP 26 1.040 36.304 38.914 33.022 -99.200 -91.000 TRP6 26 1.020 37.478 40.422 31.617 -99.200 -91.000 TYR 27 0.840 42.829 39.218 30.526 -99.200 -91.000 PHE 39 1.000 51.763 26.068 22.607 -99.200 -91.000 TYR 49 0.840 58.639 22.799 -0.850 -99.200 -91.000 HIS 50 0.900 63.771 28.713 1.991 -99.200 -91.000 TYR 51 0.840 62.520 27.610 7.348 -99.200 -91.000 TYR 56 0.840 66.858 25.104 6.149 -99.200 -91.000 TYR 73 0.840 53.339 24.862 32.622 -99.200 -91.000 TYR 82 0.840 38.298 15.720 33.323 -99.200 -91.000 TYR 85 0.840 34.819 19.421 35.876 -99.200 -91.000 TYR 89 0.840 29.478 16.431 37.960 -99.200 -91.000 TYR 92 0.840 26.535 21.351 40.918 -99.200 -91.000 PHE 106 1.000 42.253 15.671 29.345 -99.200 -91.000 TYR 109 0.840 38.739 20.923 32.953 -99.200 -91.000 TYR 119 0.840 49.509 35.282 27.560 -99.200 -91.000 PHE 133 1.000 63.295 27.092 12.327 -99.200 -91.000 HIS 144 0.900 74.906 23.818 3.900 -99.200 -91.000 HIS 145 0.900 77.209 30.914 0.206 -99.200 -91.000 PHE 150 1.000 66.414 31.775 -6.306 -99.200 -91.000 TYR 170 0.840 49.796 20.754 -15.033 -99.200 -91.000 TYR 173 0.840 45.945 15.521 -17.530 -99.200 -91.000 PHE 174 1.000 44.968 19.545 -20.031 -99.200 -91.000 PHE 176 1.000 50.191 10.740 -25.446 -99.200 -91.000 HIS 182 0.900 50.139 5.046 -24.300 -99.200 -91.000 HIS 204 0.900 54.685 22.740 -1.703 -99.200 -91.000 PHE 226 1.000 52.819 10.017 -20.701 -99.200 -91.000 PHE 227 1.000 57.023 11.370 -23.130 -99.200 -91.000 TYR 241 0.840 46.579 24.003 -20.250 -99.200 -91.000 HIS 246 0.900 47.618 25.899 -25.574 -99.200 -91.000 HIS 247 0.900 39.284 25.705 -19.747 -99.200 -91.000 TYR 248 0.840 37.279 20.574 -20.643 -99.200 -91.000 HIS 251 0.900 40.466 30.162 -25.141 -99.200 -91.000 PHE 255 1.000 42.053 19.797 -24.501 -99.200 -91.000 TRP 273 1.040 63.279 9.606 -24.689 -99.200 -91.000 TRP6 273 1.020 62.527 8.837 -22.587 -99.200 -91.000 TYR 281 0.840 63.376 6.285 -15.602 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1nu7H1 MET 0 HA -0.01 -0.04 0.14 -0.75 4.52 3.86 1nu7H1 MET 0 HB2 -0.01 -0.01 -0.12 -0.04 2.15 1.98 1nu7H1 MET 0 HB3 -0.01 -0.07 0.04 -0.04 2.03 1.95 1nu7H1 MET 0 HG2 -0.01 -0.00 0.03 -0.04 2.63 2.61 1nu7H1 MET 0 HG3 -0.01 -0.00 0.01 -0.04 2.56 2.53 1nu7H1 MET 0 HE3 -0.00 -0.00 -0.03 -0.04 2.10 2.03 1nu7H1 ILE 1 H -0.01 0.09 0.04 -0.55 8.25 7.83 1nu7H1 ILE 1 HA -0.01 0.10 0.55 -0.75 4.18 4.07 1nu7H1 ILE 1 HB -0.01 -0.02 0.19 -0.04 1.89 2.01 1nu7H1 ILE 1 HG12 -0.01 -0.04 0.06 -0.04 1.49 1.46 1nu7H1 ILE 1 HG13 -0.01 -0.00 0.03 -0.04 1.21 1.18 1nu7H1 ILE 1 HG23 -0.01 -0.00 -0.12 -0.04 0.93 0.75 1nu7H1 ILE 1 HD13 -0.01 0.02 -0.06 -0.04 0.88 0.79 1nu7H1 VAL 2 H -0.01 0.31 0.25 -0.55 8.24 8.24 1nu7H1 VAL 2 HA -0.02 0.15 0.88 -0.75 4.13 4.39 1nu7H1 VAL 2 HB -0.02 0.01 0.09 -0.04 2.12 2.17 1nu7H1 VAL 2 HG13 -0.02 -0.03 -0.12 -0.04 0.97 0.75 1nu7H1 VAL 2 HG23 -0.01 0.06 -0.21 -0.04 0.95 0.75 1nu7H1 THR 3 H -0.04 0.22 -0.00 -0.55 8.28 7.90 1nu7H1 THR 3 HA -0.05 0.16 0.87 -0.75 4.39 4.62 1nu7H1 THR 3 HB -0.04 -0.00 0.10 -0.04 4.32 4.33 1nu7H1 THR 3 HG23 -0.03 0.00 -0.17 -0.04 1.22 0.98 1nu7H1 LYS 4 H -0.07 0.13 0.02 -0.55 8.42 7.94 1nu7H1 LYS 4 HA -0.19 0.19 0.78 -0.75 4.32 4.35 1nu7H1 LYS 4 HB2 -0.05 -0.00 0.06 -0.04 1.87 1.84 1nu7H1 LYS 4 HB3 -0.06 0.02 0.02 -0.04 1.79 1.73 1nu7H1 LYS 4 HG2 -0.05 0.03 -0.10 -0.04 1.46 1.30 1nu7H1 LYS 4 HG3 -0.04 -0.02 -0.08 -0.04 1.46 1.27 1nu7H1 LYS 4 HD2 -0.03 0.00 -0.02 -0.04 1.69 1.61 1nu7H1 LYS 4 HD3 -0.02 0.02 -0.03 -0.04 1.68 1.60 1nu7H1 LYS 4 HE2 -0.02 0.01 -0.02 -0.04 2.99 2.93 1nu7H1 LYS 4 HE3 -0.02 0.01 -0.02 -0.04 2.99 2.92 1nu7H1 ASP 5 H -0.06 0.04 0.05 -0.55 8.40 7.88 1nu7H1 ASP 5 HA -0.02 0.09 0.67 -0.75 4.63 4.62 1nu7H1 ASP 5 HB2 -0.00 -0.03 0.20 -0.04 2.71 2.84 1nu7H1 ASP 5 HB3 0.02 0.11 0.07 -0.04 2.70 2.85 1nu7H1 TYR 6 H 0.08 0.18 0.11 -0.55 8.29 8.11 1nu7H1 TYR 6 HA 0.01 0.08 0.38 -0.75 4.56 4.28 1nu7H1 TYR 6 HB2 0.06 0.04 0.09 -0.04 3.06 3.20 1nu7H1 TYR 6 HB3 0.05 -0.18 0.22 -0.04 2.98 3.02 1nu7H1 TYR 6 HD2 0.03 -0.01 0.00 -0.04 7.15 7.13 1nu7H1 TYR 6 HE2 -0.03 0.00 -0.03 -0.04 6.85 6.75 1nu7H1 SER 7 H 0.15 0.09 0.14 -0.55 8.46 8.29 1nu7H1 SER 7 HA 0.08 0.18 0.70 -0.75 4.49 4.70 1nu7H1 SER 7 HB2 0.05 -0.03 0.12 -0.04 3.95 4.05 1nu7H1 SER 7 HB3 0.05 -0.05 0.09 -0.04 3.93 3.98 1nu7H1 LYS 8 H 0.05 0.18 0.12 -0.55 8.42 8.22 1nu7H1 LYS 8 HA 0.07 0.21 0.61 -0.75 4.32 4.45 1nu7H1 LYS 8 HB2 0.04 0.00 0.05 -0.04 1.87 1.92 1nu7H1 LYS 8 HB3 0.04 0.04 0.15 -0.04 1.79 1.98 1nu7H1 LYS 8 HG2 0.04 0.02 0.00 -0.04 1.46 1.47 1nu7H1 LYS 8 HG3 0.06 0.03 -0.10 -0.04 1.46 1.40 1nu7H1 LYS 8 HD2 0.06 -0.14 0.09 -0.04 1.69 1.66 1nu7H1 LYS 8 HD3 0.04 -0.01 0.06 -0.04 1.68 1.73 1nu7H1 LYS 8 HE2 0.04 0.03 -0.05 -0.04 2.99 2.98 1nu7H1 LYS 8 HE3 0.04 0.03 0.01 -0.04 2.99 3.03 1nu7H1 GLU 9 H 0.05 -0.00 -0.30 -0.55 8.60 7.80 1nu7H1 GLU 9 HA 0.02 0.26 0.77 -0.75 4.29 4.59 1nu7H1 GLU 9 HB2 0.03 -0.07 0.07 -0.04 2.09 2.09 1nu7H1 GLU 9 HB3 0.02 0.05 0.04 -0.04 1.99 2.06 1nu7H1 GLU 9 HG2 0.03 -0.10 -0.08 -0.04 2.34 2.15 1nu7H1 GLU 9 HG3 0.02 0.03 -0.01 -0.04 2.34 2.34 1nu7H1 SER 10 H 0.05 0.08 -0.13 -0.55 8.46 7.91 1nu7H1 SER 10 HA 0.00 0.04 0.33 -0.75 4.49 4.11 1nu7H1 SER 10 HB2 0.09 0.14 0.06 -0.04 3.95 4.21 1nu7H1 SER 10 HB3 0.08 0.10 0.07 -0.04 3.93 4.14 1nu7H1 ARG 11 H -0.07 0.09 0.14 -0.55 8.46 8.06 1nu7H1 ARG 11 HA -0.03 0.23 0.62 -0.75 4.34 4.40 1nu7H1 ARG 11 HB2 -0.07 -0.04 0.13 -0.04 1.90 1.87 1nu7H1 ARG 11 HB3 -0.06 -0.03 0.08 -0.04 1.80 1.74 1nu7H1 ARG 11 HG2 -0.04 -0.01 0.04 -0.04 1.67 1.62 1nu7H1 ARG 11 HG3 -0.03 0.01 0.04 -0.04 1.67 1.65 1nu7H1 ARG 11 HD2 -0.01 0.12 -0.28 -0.04 3.22 3.01 1nu7H1 ARG 11 HD3 -0.02 -0.02 0.01 -0.04 3.22 3.14 1nu7H1 VAL 12 H -0.21 -0.02 -0.25 -0.55 8.24 7.20 1nu7H1 VAL 12 HA -0.18 0.05 0.45 -0.75 4.13 3.68 1nu7H1 VAL 12 HB -0.84 0.02 -0.01 -0.04 2.12 1.25 1nu7H1 VAL 12 HG13 -0.34 0.03 -0.12 -0.04 0.97 0.49 1nu7H1 VAL 12 HG23 -0.59 -0.01 -0.03 -0.04 0.95 0.27 1nu7H1 ASN 13 H -0.07 0.08 0.17 -0.55 8.53 8.16 1nu7H1 ASN 13 HA 0.01 0.17 0.56 -0.75 4.76 4.75 1nu7H1 ASN 13 HB2 0.01 -0.10 0.16 -0.04 2.88 2.90 1nu7H1 ASN 13 HB3 0.03 -0.02 0.07 -0.04 2.79 2.83 1nu7H1 ASN 13 HD21 -0.01 0.08 0.04 -0.04 7.03 7.10 1nu7H1 ASN 13 HD22 -0.01 -0.09 0.07 -0.04 7.74 7.67 1nu7H1 GLU 14 H 0.08 0.25 0.17 -0.55 8.60 8.55 1nu7H1 GLU 14 HA 0.18 0.09 0.30 -0.75 4.29 4.11 1nu7H1 GLU 14 HB2 0.18 0.05 0.09 -0.04 2.09 2.37 1nu7H1 GLU 14 HB3 0.14 0.08 0.13 -0.04 1.99 2.31 1nu7H1 GLU 14 HG2 0.09 0.07 0.04 -0.04 2.34 2.49 1nu7H1 GLU 14 HG3 0.09 -0.16 0.06 -0.04 2.34 2.29 1nu7H1 ASN 15 H 0.11 0.03 -0.48 -0.55 8.53 7.64 1nu7H1 ASN 15 HA 0.40 0.30 0.96 -0.75 4.76 5.66 1nu7H1 ASN 15 HB2 0.11 -0.01 -0.02 -0.04 2.88 2.93 1nu7H1 ASN 15 HB3 0.20 0.03 0.07 -0.04 2.79 3.04 1nu7H1 ASN 15 HD21 0.07 0.04 -0.07 -0.04 7.03 7.02 1nu7H1 ASN 15 HD22 0.23 0.02 -0.01 -0.04 7.74 7.93 1nu7H1 SER 16 H 0.07 0.59 -0.13 -0.55 8.46 8.44 1nu7H1 SER 16 HA 0.05 0.04 0.34 -0.75 4.49 4.16 1nu7H1 SER 16 HB2 0.01 0.10 0.03 -0.04 3.95 4.05 1nu7H1 SER 16 HB3 0.01 -0.17 -0.12 -0.04 3.93 3.61 1nu7H1 LYS 17 H -0.02 0.24 -0.36 -0.55 8.42 7.73 1nu7H1 LYS 17 HA -0.02 -0.04 0.30 -0.75 4.32 3.81 1nu7H1 LYS 17 HB2 -0.07 -0.00 0.06 -0.04 1.87 1.82 1nu7H1 LYS 17 HB3 0.00 -0.01 0.03 -0.04 1.79 1.77 1nu7H1 LYS 17 HG2 -0.97 0.08 -0.48 -0.04 1.46 0.05 1nu7H1 LYS 17 HG3 -0.31 -0.00 -0.07 -0.04 1.46 1.03 1nu7H1 LYS 17 HD2 -0.29 0.11 -0.00 -0.04 1.69 1.47 1nu7H1 LYS 17 HD3 -0.85 0.02 -0.02 -0.04 1.68 0.78 1nu7H1 LYS 17 HE2 0.15 0.01 0.01 -0.04 2.99 3.11 1nu7H1 LYS 17 HE3 0.05 -0.08 -0.00 -0.04 2.99 2.92 1nu7H1 TYR 18 H -0.05 0.41 -0.48 -0.55 8.29 7.61 1nu7H1 TYR 18 HA 0.05 0.15 0.64 -0.75 4.56 4.65 1nu7H1 TYR 18 HB2 0.04 0.07 0.07 -0.04 3.06 3.20 1nu7H1 TYR 18 HB3 0.04 -0.02 0.14 -0.04 2.98 3.10 1nu7H1 TYR 18 HD2 0.05 -0.01 0.06 -0.04 7.15 7.20 1nu7H1 TYR 18 HE2 0.06 0.04 0.00 -0.04 6.85 6.91 1nu7H1 GLY 19 H 0.05 0.29 -0.44 -0.55 8.43 7.79 1nu7H1 GLY 19 HA2 0.07 0.06 0.38 -0.51 4.01 4.01 1nu7H1 GLY 19 HA3 0.05 -0.09 0.33 -0.51 4.01 3.79 1nu7H1 THR 20 H 0.03 0.03 0.14 -0.55 8.28 7.93 1nu7H1 THR 20 HA 0.03 0.13 0.50 -0.75 4.39 4.29 1nu7H1 THR 20 HB 0.00 -0.11 0.15 -0.04 4.32 4.32 1nu7H1 THR 20 HG23 0.00 0.06 -0.02 -0.04 1.22 1.22 1nu7H1 LEU 21 H 0.02 0.13 0.18 -0.55 8.37 8.16 1nu7H1 LEU 21 HA 0.01 0.12 0.47 -0.75 4.35 4.20 1nu7H1 LEU 21 HB2 0.01 -0.04 0.07 -0.04 1.64 1.64 1nu7H1 LEU 21 HB3 0.01 0.05 0.11 -0.04 1.64 1.77 1nu7H1 LEU 21 HG 0.03 0.03 0.10 -0.04 1.64 1.76 1nu7H1 LEU 21 HD13 0.03 0.00 0.02 -0.04 0.93 0.95 1nu7H1 LEU 21 HD23 0.02 -0.02 -0.11 -0.04 0.89 0.74 1nu7H1 ILE 22 H -0.02 0.51 0.37 -0.55 8.25 8.56 1nu7H1 ILE 22 HA -0.08 0.03 0.51 -0.75 4.18 3.89 1nu7H1 ILE 22 HB -0.05 -0.01 0.03 -0.04 1.89 1.83 1nu7H1 ILE 22 HG12 -0.01 -0.04 -0.03 -0.04 1.49 1.37 1nu7H1 ILE 22 HG13 -0.01 0.13 -0.01 -0.04 1.21 1.28 1nu7H1 ILE 22 HG23 -0.03 0.08 -0.19 -0.04 0.93 0.74 1nu7H1 ILE 22 HD13 -0.00 -0.01 -0.20 -0.04 0.88 0.63 1nu7H1 SER 23 H -0.19 0.09 0.16 -0.55 8.46 7.98 1nu7H1 SER 23 HA -0.04 0.13 0.44 -0.75 4.49 4.26 1nu7H1 SER 23 HB2 -0.48 -0.13 0.05 -0.04 3.95 3.34 1nu7H1 SER 23 HB3 0.06 0.06 0.13 -0.04 3.93 4.14 1nu7H1 ASP 24 H 0.00 0.19 0.21 -0.55 8.40 8.25 1nu7H1 ASP 24 HA -0.06 0.14 0.37 -0.75 4.63 4.32 1nu7H1 ASP 24 HB2 0.02 0.09 0.20 -0.04 2.71 2.98 1nu7H1 ASP 24 HB3 0.08 -0.04 0.16 -0.04 2.70 2.86 1nu7H1 TRP 25 H 0.22 0.11 -0.10 -0.55 7.97 7.65 1nu7H1 TRP 25 HA 0.00 0.09 0.34 -0.75 4.62 4.30 1nu7H1 TRP 25 HB2 0.02 0.06 0.07 -0.04 3.23 3.33 1nu7H1 TRP 25 HB3 0.02 0.02 0.10 -0.04 3.23 3.33 1nu7H1 TRP 25 HD1 0.02 -0.01 0.01 -0.04 7.22 7.21 1nu7H1 TRP 25 HE1 0.01 0.03 0.00 -0.04 10.20 10.20 1nu7H1 TRP 25 HE3 0.06 0.00 -0.32 -0.04 7.59 7.30 1nu7H1 TRP 25 HZ2 -0.03 0.02 -0.01 -0.04 7.44 7.38 1nu7H1 TRP 25 HZ3 0.16 0.02 -0.05 -0.04 7.13 7.22 1nu7H1 TRP 25 HH2 0.05 0.03 -0.02 -0.04 7.19 7.21 1nu7H1 TYR 26 H -0.96 0.23 -0.35 -0.55 8.29 6.66 1nu7H1 TYR 26 HA -0.52 0.14 0.68 -0.75 4.56 4.10 1nu7H1 TYR 26 HB2 -2.53 -0.01 0.03 -0.04 3.06 0.50 1nu7H1 TYR 26 HB3 -0.97 0.05 0.05 -0.04 2.98 2.07 1nu7H1 TYR 26 HD2 -0.40 0.01 -0.10 -0.04 7.15 6.63 1nu7H1 TYR 26 HE2 -0.18 0.00 -0.03 -0.04 6.85 6.60 1nu7H1 LEU 27 H -0.24 0.44 -0.17 -0.55 8.37 7.86 1nu7H1 LEU 27 HA -0.18 -0.04 0.33 -0.75 4.35 3.71 1nu7H1 LEU 27 HB2 -0.12 0.12 -0.08 -0.04 1.64 1.53 1nu7H1 LEU 27 HB3 -0.10 0.17 0.14 -0.04 1.64 1.81 1nu7H1 LEU 27 HG -0.06 0.04 -0.13 -0.04 1.64 1.45 1nu7H1 LEU 27 HD13 -0.08 0.01 -0.12 -0.04 0.93 0.70 1nu7H1 LEU 27 HD23 -0.07 -0.06 -0.14 -0.04 0.89 0.59 1nu7H1 LYS 28 H -0.11 0.44 -0.15 -0.55 8.42 8.04 1nu7H1 LYS 28 HA -0.09 0.04 0.34 -0.75 4.32 3.86 1nu7H1 LYS 28 HB2 -0.03 0.05 0.06 -0.04 1.87 1.91 1nu7H1 LYS 28 HB3 -0.04 -0.00 0.02 -0.04 1.79 1.73 1nu7H1 LYS 28 HG2 -0.00 0.15 0.07 -0.04 1.46 1.64 1nu7H1 LYS 28 HG3 0.01 -0.00 0.02 -0.04 1.46 1.45 1nu7H1 LYS 28 HD2 -0.06 -0.01 0.02 -0.04 1.69 1.60 1nu7H1 LYS 28 HD3 -0.07 -0.06 -0.00 -0.04 1.68 1.51 1nu7H1 LYS 28 HE2 -0.06 0.03 -0.02 -0.04 2.99 2.90 1nu7H1 LYS 28 HE3 -0.02 -0.02 -0.06 -0.04 2.99 2.85 1nu7H1 GLY 29 H -0.21 0.27 -0.30 -0.55 8.43 7.65 1nu7H1 GLY 29 HA2 -0.11 0.04 0.43 -0.51 4.01 3.87 1nu7H1 GLY 29 HA3 -0.21 0.08 0.28 -0.51 4.01 3.65 1nu7H1 ARG 30 H -0.33 0.39 -0.29 -0.55 8.46 7.68 1nu7H1 ARG 30 HA -0.30 0.08 0.64 -0.75 4.34 4.00 1nu7H1 ARG 30 HB2 -0.20 0.10 0.11 -0.04 1.90 1.87 1nu7H1 ARG 30 HB3 -0.27 -0.09 0.02 -0.04 1.80 1.42 1nu7H1 ARG 30 HG2 -0.50 0.07 -0.06 -0.04 1.67 1.13 1nu7H1 ARG 30 HG3 -0.47 -0.08 -0.04 -0.04 1.67 1.04 1nu7H1 ARG 30 HD2 -0.68 -0.14 -0.33 -0.04 3.22 2.03 1nu7H1 ARG 30 HD3 -1.48 0.01 -0.06 -0.04 3.22 1.65 1nu7H1 LEU 31 H -0.09 0.63 -0.01 -0.55 8.37 8.34 1nu7H1 LEU 31 HA 0.04 0.00 0.46 -0.75 4.35 4.10 1nu7H1 LEU 31 HB2 -0.06 0.13 0.15 -0.04 1.64 1.81 1nu7H1 LEU 31 HB3 -0.03 -0.03 0.04 -0.04 1.64 1.58 1nu7H1 LEU 31 HG -0.06 0.09 -0.04 -0.04 1.64 1.59 1nu7H1 LEU 31 HD13 -0.09 0.01 -0.07 -0.04 0.93 0.73 1nu7H1 LEU 31 HD23 0.00 -0.02 -0.06 -0.04 0.89 0.77 1nu7H1 THR 32 H -0.05 0.57 -0.06 -0.55 8.28 8.20 1nu7H1 THR 32 HA -0.00 0.02 0.36 -0.75 4.39 4.01 1nu7H1 THR 32 HB -0.04 0.06 0.12 -0.04 4.32 4.42 1nu7H1 THR 32 HG23 -0.01 -0.01 -0.07 -0.04 1.22 1.09 1nu7H1 SER 33 H -0.00 0.41 -0.38 -0.55 8.46 7.95 1nu7H1 SER 33 HA 0.03 0.02 0.43 -0.75 4.49 4.22 1nu7H1 SER 33 HB2 0.02 0.07 0.16 -0.04 3.95 4.15 1nu7H1 SER 33 HB3 0.16 0.12 0.18 -0.04 3.93 4.35 1nu7H1 LEU 34 H 0.12 0.47 -0.24 -0.55 8.37 8.17 1nu7H1 LEU 34 HA -0.00 0.01 0.50 -0.75 4.35 4.11 1nu7H1 LEU 34 HB2 0.14 0.16 0.22 -0.04 1.64 2.12 1nu7H1 LEU 34 HB3 0.26 -0.06 -0.01 -0.04 1.64 1.80 1nu7H1 LEU 34 HG 0.24 0.13 0.08 -0.04 1.64 2.05 1nu7H1 LEU 34 HD13 0.17 -0.03 -0.04 -0.04 0.93 0.98 1nu7H1 LEU 34 HD23 -0.18 -0.01 0.02 -0.04 0.89 0.67 1nu7H1 GLU 35 H 0.10 0.66 -0.01 -0.55 8.60 8.80 1nu7H1 GLU 35 HA 0.18 -0.00 0.44 -0.75 4.29 4.15 1nu7H1 GLU 35 HB2 0.03 0.02 0.11 -0.04 2.09 2.21 1nu7H1 GLU 35 HB3 0.04 0.14 0.19 -0.04 1.99 2.31 1nu7H1 GLU 35 HG2 0.03 -0.02 -0.12 -0.04 2.34 2.19 1nu7H1 GLU 35 HG3 0.00 -0.03 0.05 -0.04 2.34 2.32 1nu7H1 SER 36 H 0.05 0.57 -0.23 -0.55 8.46 8.30 1nu7H1 SER 36 HA 0.04 0.00 0.41 -0.75 4.49 4.18 1nu7H1 SER 36 HB2 0.02 -0.02 0.09 -0.04 3.95 4.00 1nu7H1 SER 36 HB3 0.02 0.13 0.19 -0.04 3.93 4.24 1nu7H1 GLN 37 H 0.00 0.44 -0.22 -0.55 8.47 8.14 1nu7H1 GLN 37 HA -0.06 0.03 0.49 -0.75 4.36 4.05 1nu7H1 GLN 37 HB2 -0.26 0.11 0.17 -0.04 2.15 2.13 1nu7H1 GLN 37 HB3 -0.25 -0.08 0.03 -0.04 2.02 1.69 1nu7H1 GLN 37 HG2 -0.08 -0.06 0.06 -0.04 2.40 2.28 1nu7H1 GLN 37 HG3 -0.05 0.44 0.16 -0.04 2.39 2.89 1nu7H1 GLN 37 HE21 -0.39 -0.06 -0.03 -0.04 6.97 6.45 1nu7H1 GLN 37 HE22 -0.02 0.05 -0.21 -0.04 7.69 7.47 1nu7H1 PHE 38 H 0.10 0.54 -0.17 -0.55 8.34 8.25 1nu7H1 PHE 38 HA -0.04 0.01 0.49 -0.75 4.62 4.32 1nu7H1 PHE 38 HB2 -0.02 0.17 0.20 -0.04 3.15 3.45 1nu7H1 PHE 38 HB3 -0.03 -0.04 0.01 -0.04 3.06 2.97 1nu7H1 PHE 38 HD2 -0.03 0.10 -0.05 -0.04 7.28 7.25 1nu7H1 PHE 38 HE2 -0.02 0.04 -0.02 -0.04 7.38 7.34 1nu7H1 PHE 38 HZ -0.02 -0.02 -0.35 -0.04 7.32 6.89 1nu7H1 ILE 39 H 0.12 0.53 -0.07 -0.55 8.25 8.28 1nu7H1 ILE 39 HA 0.05 0.01 0.34 -0.75 4.18 3.83 1nu7H1 ILE 39 HB 0.04 0.09 0.18 -0.04 1.89 2.16 1nu7H1 ILE 39 HG12 0.03 -0.04 0.03 -0.04 1.49 1.47 1nu7H1 ILE 39 HG13 0.06 0.11 0.10 -0.04 1.21 1.44 1nu7H1 ILE 39 HG23 0.02 -0.01 -0.10 -0.04 0.93 0.80 1nu7H1 ILE 39 HD13 0.02 -0.02 -0.07 -0.04 0.88 0.76 1nu7H1 ASN 40 H 0.01 0.53 -0.22 -0.55 8.53 8.30 1nu7H1 ASN 40 HA 0.01 0.01 0.36 -0.75 4.76 4.39 1nu7H1 ASN 40 HB2 -0.00 0.02 0.12 -0.04 2.88 2.98 1nu7H1 ASN 40 HB3 -0.03 0.11 0.17 -0.04 2.79 3.00 1nu7H1 ASN 40 HD21 -0.01 -0.04 -0.09 -0.04 7.03 6.85 1nu7H1 ASN 40 HD22 -0.04 0.06 -0.14 -0.04 7.74 7.58 1nu7H1 ALA 41 H -0.03 0.53 -0.14 -0.55 8.40 8.21 1nu7H1 ALA 41 HA -0.06 0.00 0.46 -0.75 4.34 3.98 1nu7H1 ALA 41 HB3 -0.08 0.01 0.12 -0.04 1.41 1.42 1nu7H1 LEU 42 H 0.02 0.73 -0.05 -0.55 8.37 8.52 1nu7H1 LEU 42 HA -0.04 0.00 0.49 -0.75 4.35 4.05 1nu7H1 LEU 42 HB2 0.03 0.13 0.14 -0.04 1.64 1.89 1nu7H1 LEU 42 HB3 0.01 -0.04 0.01 -0.04 1.64 1.58 1nu7H1 LEU 42 HG 0.06 -0.00 0.04 -0.04 1.64 1.69 1nu7H1 LEU 42 HD13 0.04 -0.01 -0.07 -0.04 0.93 0.84 1nu7H1 LEU 42 HD23 0.00 -0.01 -0.00 -0.04 0.89 0.84 1nu7H1 GLY 43 H 0.00 0.54 -0.22 -0.55 8.43 8.21 1nu7H1 GLY 43 HA2 0.02 -0.00 0.31 -0.51 4.01 3.82 1nu7H1 GLY 43 HA3 0.02 0.05 0.29 -0.51 4.01 3.86 1nu7H1 ILE 44 H -0.02 0.47 -0.21 -0.55 8.25 7.94 1nu7H1 ILE 44 HA 0.09 -0.01 0.43 -0.75 4.18 3.94 1nu7H1 ILE 44 HB -0.08 0.13 0.20 -0.04 1.89 2.10 1nu7H1 ILE 44 HG12 0.07 -0.06 0.05 -0.04 1.49 1.51 1nu7H1 ILE 44 HG13 0.02 0.17 0.09 -0.04 1.21 1.44 1nu7H1 ILE 44 HG23 0.05 -0.02 -0.13 -0.04 0.93 0.79 1nu7H1 ILE 44 HD13 0.02 -0.03 -0.00 -0.04 0.88 0.83 1nu7H1 LEU 45 H -0.12 0.41 -0.20 -0.55 8.37 7.92 1nu7H1 LEU 45 HA -0.33 -0.01 0.37 -0.75 4.35 3.62 1nu7H1 LEU 45 HB2 -0.25 0.05 0.16 -0.04 1.64 1.56 1nu7H1 LEU 45 HB3 -0.09 0.16 0.15 -0.04 1.64 1.81 1nu7H1 LEU 45 HG -0.08 0.00 -0.07 -0.04 1.64 1.45 1nu7H1 LEU 45 HD13 -0.29 -0.01 0.11 -0.04 0.93 0.70 1nu7H1 LEU 45 HD23 -0.14 -0.02 -0.01 -0.04 0.89 0.68 1nu7H1 GLU 46 H 0.00 0.43 -0.28 -0.55 8.60 8.20 1nu7H1 GLU 46 HA 0.03 0.05 0.42 -0.75 4.29 4.04 1nu7H1 GLU 46 HB2 0.02 0.12 0.08 -0.04 2.09 2.28 1nu7H1 GLU 46 HB3 0.04 -0.07 -0.00 -0.04 1.99 1.92 1nu7H1 GLU 46 HG2 0.01 -0.01 -0.03 -0.04 2.34 2.27 1nu7H1 GLU 46 HG3 0.02 -0.06 -0.02 -0.04 2.34 2.24 1nu7H1 THR 47 H 0.13 0.42 -0.49 -0.55 8.28 7.78 1nu7H1 THR 47 HA 0.06 -0.03 0.45 -0.75 4.39 4.11 1nu7H1 THR 47 HB 0.05 0.05 0.13 -0.04 4.32 4.51 1nu7H1 THR 47 HG23 -0.15 -0.09 -0.03 -0.04 1.22 0.91 1nu7H1 TYR 48 H 0.16 0.14 0.23 -0.55 8.29 8.26 1nu7H1 TYR 48 HA -0.08 0.13 0.32 -0.75 4.56 4.18 1nu7H1 TYR 48 HB2 0.01 0.07 0.20 -0.04 3.06 3.30 1nu7H1 TYR 48 HB3 0.01 -0.11 0.17 -0.04 2.98 3.01 1nu7H1 TYR 48 HD2 -0.36 -0.01 -0.07 -0.04 7.15 6.67 1nu7H1 TYR 48 HE2 -0.25 -0.01 -0.01 -0.04 6.85 6.53 1nu7H1 HIS 49 H 0.05 0.04 -0.18 -0.55 8.41 7.77 1nu7H1 HIS 49 HA -0.11 0.01 0.37 -0.75 4.63 4.15 1nu7H1 HIS 49 HB2 -0.20 -0.05 0.09 -0.04 3.26 3.07 1nu7H1 HIS 49 HB3 -0.78 0.05 -0.01 -0.04 3.20 2.42 1nu7H1 HIS 49 HD2 -0.37 0.00 -0.22 -0.04 6.97 6.34 1nu7H1 HIS 49 HE1 -0.05 0.07 -0.23 -0.04 7.75 7.50 1nu7H1 TYR 50 H -0.35 0.51 -0.33 -0.55 8.29 7.57 1nu7H1 TYR 50 HA -0.75 0.01 0.59 -0.75 4.56 3.66 1nu7H1 TYR 50 HB2 -0.05 0.28 0.06 -0.04 3.06 3.31 1nu7H1 TYR 50 HB3 -0.12 -0.08 0.17 -0.04 2.98 2.91 1nu7H1 TYR 50 HD2 -0.68 0.13 -0.00 -0.04 7.15 6.56 1nu7H1 TYR 50 HE2 -0.04 0.00 -0.02 -0.04 6.85 6.75 1nu7H1 GLY 51 H -0.23 0.65 -0.41 -0.55 8.43 7.90 1nu7H1 GLY 51 HA2 -0.04 0.07 0.40 -0.51 4.01 3.94 1nu7H1 GLY 51 HA3 -0.23 0.02 0.33 -0.51 4.01 3.62 1nu7H1 GLU 52 H 0.22 0.18 -0.74 -0.55 8.60 7.71 1nu7H1 GLU 52 HA -0.02 0.20 0.84 -0.75 4.29 4.55 1nu7H1 GLU 52 HB2 0.17 -0.03 -0.00 -0.04 2.09 2.18 1nu7H1 GLU 52 HB3 -0.05 -0.12 0.09 -0.04 1.99 1.86 1nu7H1 GLU 52 HG2 0.02 0.19 -0.08 -0.04 2.34 2.43 1nu7H1 GLU 52 HG3 0.02 -0.03 -0.01 -0.04 2.34 2.28 1nu7H1 LYS 53 H -0.05 0.18 0.15 -0.55 8.42 8.15 1nu7H1 LYS 53 HA -0.01 0.13 0.41 -0.75 4.32 4.10 1nu7H1 LYS 53 HB2 -0.08 -0.02 0.11 -0.04 1.87 1.84 1nu7H1 LYS 53 HB3 -0.05 0.02 0.07 -0.04 1.79 1.79 1nu7H1 LYS 53 HG2 -0.03 0.05 0.05 -0.04 1.46 1.49 1nu7H1 LYS 53 HG3 -0.04 0.01 0.11 -0.04 1.46 1.50 1nu7H1 LYS 53 HD2 -0.05 -0.01 0.04 -0.04 1.69 1.63 1nu7H1 LYS 53 HD3 -0.04 -0.00 0.03 -0.04 1.68 1.63 1nu7H1 LYS 53 HE2 -0.02 0.01 0.02 -0.04 2.99 2.96 1nu7H1 LYS 53 HE3 -0.03 0.02 0.03 -0.04 2.99 2.97 1nu7H1 GLU 54 H -0.19 0.09 -0.19 -0.55 8.60 7.76 1nu7H1 GLU 54 HA -0.18 0.07 0.38 -0.75 4.29 3.81 1nu7H1 GLU 54 HB2 -0.58 0.01 -0.01 -0.04 2.09 1.48 1nu7H1 GLU 54 HB3 -0.45 0.05 0.08 -0.04 1.99 1.62 1nu7H1 GLU 54 HG2 -1.23 0.05 0.03 -0.04 2.34 1.14 1nu7H1 GLU 54 HG3 -0.44 0.02 0.04 -0.04 2.34 1.92 1nu7H1 TYR 55 H 0.03 0.45 -0.58 -0.55 8.29 7.64 1nu7H1 TYR 55 HA -0.02 0.13 0.85 -0.75 4.56 4.77 1nu7H1 TYR 55 HB2 0.08 0.37 0.12 -0.04 3.06 3.59 1nu7H1 TYR 55 HB3 0.08 -0.06 0.16 -0.04 2.98 3.12 1nu7H1 TYR 55 HD2 -0.04 -0.05 0.01 -0.04 7.15 7.02 1nu7H1 TYR 55 HE2 0.02 0.03 0.00 -0.04 6.85 6.86 1nu7H1 LYS 56 H 0.04 0.53 -0.13 -0.55 8.42 8.31 1nu7H1 LYS 56 HA 0.08 0.09 0.34 -0.75 4.32 4.08 1nu7H1 LYS 56 HB2 0.02 0.09 0.20 -0.04 1.87 2.14 1nu7H1 LYS 56 HB3 0.01 -0.05 0.16 -0.04 1.79 1.87 1nu7H1 LYS 56 HG2 0.02 -0.04 -0.13 -0.04 1.46 1.27 1nu7H1 LYS 56 HG3 0.03 -0.03 0.01 -0.04 1.46 1.42 1nu7H1 LYS 56 HD2 0.01 0.03 0.02 -0.04 1.69 1.71 1nu7H1 LYS 56 HD3 0.00 -0.00 0.02 -0.04 1.68 1.66 1nu7H1 LYS 56 HE2 0.01 0.00 -0.01 -0.04 2.99 2.95 1nu7H1 LYS 56 HE3 0.00 0.01 -0.01 -0.04 2.99 2.96 1nu7H1 ASP 57 H 0.02 0.19 -0.11 -0.55 8.40 7.96 1nu7H1 ASP 57 HA 0.03 0.06 0.43 -0.75 4.63 4.40 1nu7H1 ASP 57 HB2 0.01 0.02 0.12 -0.04 2.71 2.83 1nu7H1 ASP 57 HB3 0.02 0.03 -0.00 -0.04 2.70 2.70 1nu7H1 ALA 58 H 0.06 0.17 -0.11 -0.55 8.40 7.96 1nu7H1 ALA 58 HA 0.10 0.00 0.38 -0.75 4.34 4.06 1nu7H1 ALA 58 HB3 0.02 0.05 0.10 -0.04 1.41 1.54 1nu7H1 LYS 59 H 0.18 0.54 -0.38 -0.55 8.42 8.21 1nu7H1 LYS 59 HA 0.07 0.01 0.51 -0.75 4.32 4.16 1nu7H1 LYS 59 HB2 0.10 0.10 0.12 -0.04 1.87 2.16 1nu7H1 LYS 59 HB3 0.03 -0.06 0.01 -0.04 1.79 1.73 1nu7H1 LYS 59 HG2 0.32 -0.10 0.03 -0.04 1.46 1.67 1nu7H1 LYS 59 HG3 0.26 0.18 0.02 -0.04 1.46 1.88 1nu7H1 LYS 59 HD2 0.04 -0.04 0.02 -0.04 1.69 1.67 1nu7H1 LYS 59 HD3 0.17 0.07 0.05 -0.04 1.68 1.93 1nu7H1 LYS 59 HE2 0.16 0.16 -0.03 -0.04 2.99 3.25 1nu7H1 LYS 59 HE3 0.09 -0.11 -0.08 -0.04 2.99 2.84 1nu7H1 ASP 60 H 0.06 0.70 0.12 -0.55 8.40 8.73 1nu7H1 ASP 60 HA 0.01 -0.00 0.48 -0.75 4.63 4.37 1nu7H1 ASP 60 HB2 0.03 0.11 0.28 -0.04 2.71 3.09 1nu7H1 ASP 60 HB3 0.02 -0.07 0.01 -0.04 2.70 2.62 1nu7H1 LYS 61 H 0.05 0.69 -0.09 -0.55 8.42 8.52 1nu7H1 LYS 61 HA 0.02 -0.01 0.41 -0.75 4.32 3.99 1nu7H1 LYS 61 HB2 0.03 -0.04 0.07 -0.04 1.87 1.89 1nu7H1 LYS 61 HB3 0.07 0.16 0.14 -0.04 1.79 2.11 1nu7H1 LYS 61 HG2 0.05 0.05 -0.16 -0.04 1.46 1.37 1nu7H1 LYS 61 HG3 0.03 -0.07 -0.03 -0.04 1.46 1.34 1nu7H1 LYS 61 HD2 0.02 -0.01 -0.02 -0.04 1.69 1.64 1nu7H1 LYS 61 HD3 0.02 -0.02 -0.01 -0.04 1.68 1.63 1nu7H1 LYS 61 HE2 0.03 -0.01 -0.05 -0.04 2.99 2.92 1nu7H1 LYS 61 HE3 0.05 0.04 -0.02 -0.04 2.99 3.01 1nu7H1 LEU 62 H 0.04 0.50 -0.12 -0.55 8.37 8.24 1nu7H1 LEU 62 HA -0.02 0.01 0.49 -0.75 4.35 4.06 1nu7H1 LEU 62 HB2 -0.08 0.04 0.16 -0.04 1.64 1.72 1nu7H1 LEU 62 HB3 -0.24 0.12 0.22 -0.04 1.64 1.70 1nu7H1 LEU 62 HG -0.22 -0.02 -0.19 -0.04 1.64 1.16 1nu7H1 LEU 62 HD13 -0.10 -0.00 -0.09 -0.04 0.93 0.70 1nu7H1 LEU 62 HD23 -0.85 0.01 0.02 -0.04 0.89 0.03 1nu7H1 MET 63 H -0.04 0.72 -0.07 -0.55 8.47 8.53 1nu7H1 MET 63 HA -0.03 -0.03 0.40 -0.75 4.52 4.10 1nu7H1 MET 63 HB2 -0.03 0.09 0.13 -0.04 2.15 2.30 1nu7H1 MET 63 HB3 -0.01 0.12 0.16 -0.04 2.03 2.26 1nu7H1 MET 63 HG2 -0.01 0.02 -0.01 -0.04 2.63 2.59 1nu7H1 MET 63 HG3 -0.00 -0.06 -0.13 -0.04 2.56 2.33 1nu7H1 MET 63 HE3 -0.02 0.02 -0.01 -0.04 2.10 2.05 1nu7H1 THR 64 H -0.00 0.57 -0.24 -0.55 8.28 8.05 1nu7H1 THR 64 HA 0.01 -0.02 0.43 -0.75 4.39 4.05 1nu7H1 THR 64 HB 0.01 0.17 0.18 -0.04 4.32 4.64 1nu7H1 THR 64 HG23 0.01 -0.03 -0.08 -0.04 1.22 1.08 1nu7H1 ARG 65 H 0.00 0.55 -0.09 -0.55 8.46 8.37 1nu7H1 ARG 65 HA 0.01 0.03 0.44 -0.75 4.34 4.07 1nu7H1 ARG 65 HB2 -0.02 0.16 0.24 -0.04 1.90 2.24 1nu7H1 ARG 65 HB3 -0.02 -0.08 0.02 -0.04 1.80 1.68 1nu7H1 ARG 65 HG2 0.00 0.14 0.12 -0.04 1.67 1.89 1nu7H1 ARG 65 HG3 -0.00 -0.03 0.06 -0.04 1.67 1.66 1nu7H1 ARG 65 HD2 -0.00 0.01 0.04 -0.04 3.22 3.23 1nu7H1 ARG 65 HD3 -0.00 0.00 0.02 -0.04 3.22 3.20 1nu7H1 ILE 66 H 0.00 0.77 -0.03 -0.55 8.25 8.44 1nu7H1 ILE 66 HA 0.08 -0.02 0.43 -0.75 4.18 3.91 1nu7H1 ILE 66 HB 0.03 0.09 0.13 -0.04 1.89 2.10 1nu7H1 ILE 66 HG12 -0.03 -0.08 0.02 -0.04 1.49 1.36 1nu7H1 ILE 66 HG13 -0.04 0.23 0.07 -0.04 1.21 1.43 1nu7H1 ILE 66 HG23 0.21 -0.03 -0.11 -0.04 0.93 0.97 1nu7H1 ILE 66 HD13 -0.06 -0.01 -0.20 -0.04 0.88 0.57 1nu7H1 LEU 67 H 0.04 0.76 -0.11 -0.55 8.37 8.51 1nu7H1 LEU 67 HA 0.02 -0.00 0.51 -0.75 4.35 4.13 1nu7H1 LEU 67 HB2 0.02 0.13 0.15 -0.04 1.64 1.90 1nu7H1 LEU 67 HB3 0.01 -0.09 0.05 -0.04 1.64 1.57 1nu7H1 LEU 67 HG 0.01 0.17 0.10 -0.04 1.64 1.89 1nu7H1 LEU 67 HD13 0.00 -0.01 -0.03 -0.04 0.93 0.85 1nu7H1 LEU 67 HD23 -0.01 -0.02 -0.01 -0.04 0.89 0.81 1nu7H1 GLY 68 H 0.04 0.61 -0.24 -0.55 8.43 8.30 1nu7H1 GLY 68 HA2 0.04 -0.05 0.38 -0.51 4.01 3.86 1nu7H1 GLY 68 HA3 0.04 0.14 0.18 -0.51 4.01 3.86 1nu7H1 GLU 69 H 0.12 0.58 -0.16 -0.55 8.60 8.59 1nu7H1 GLU 69 HA 0.12 -0.04 0.57 -0.75 4.29 4.18 1nu7H1 GLU 69 HB2 0.27 0.15 0.11 -0.04 2.09 2.58 1nu7H1 GLU 69 HB3 0.14 -0.08 0.11 -0.04 1.99 2.12 1nu7H1 GLU 69 HG2 0.02 0.36 0.10 -0.04 2.34 2.78 1nu7H1 GLU 69 HG3 -0.07 -0.01 0.04 -0.04 2.34 2.27 1nu7H1 ASP 70 H 0.16 0.46 -0.23 -0.55 8.40 8.24 1nu7H1 ASP 70 HA -0.39 0.02 0.48 -0.75 4.63 3.99 1nu7H1 ASP 70 HB2 -0.42 0.07 0.13 -0.04 2.71 2.45 1nu7H1 ASP 70 HB3 -0.10 0.09 0.20 -0.04 2.70 2.85 1nu7H1 GLN 71 H 0.01 0.79 -0.06 -0.55 8.47 8.67 1nu7H1 GLN 71 HA -0.04 0.01 0.46 -0.75 4.36 4.04 1nu7H1 GLN 71 HB2 0.00 0.11 0.15 -0.04 2.15 2.36 1nu7H1 GLN 71 HB3 0.02 0.09 0.18 -0.04 2.02 2.27 1nu7H1 GLN 71 HG2 0.02 -0.03 0.03 -0.04 2.40 2.37 1nu7H1 GLN 71 HG3 -0.01 -0.08 -0.07 -0.04 2.39 2.19 1nu7H1 GLN 71 HE21 0.00 0.04 -0.01 -0.04 6.97 6.97 1nu7H1 GLN 71 HE22 0.02 -0.03 0.00 -0.04 7.69 7.64 1nu7H1 TYR 72 H 0.11 0.45 -0.27 -0.55 8.29 8.03 1nu7H1 TYR 72 HA -0.22 -0.01 0.42 -0.75 4.56 4.00 1nu7H1 TYR 72 HB2 -0.07 0.00 0.18 -0.04 3.06 3.14 1nu7H1 TYR 72 HB3 -0.02 0.20 0.21 -0.04 2.98 3.32 1nu7H1 TYR 72 HD2 -0.10 0.05 -0.08 -0.04 7.15 6.98 1nu7H1 TYR 72 HE2 -0.06 0.01 -0.07 -0.04 6.85 6.69 1nu7H1 LEU 73 H 0.09 0.46 -0.17 -0.55 8.37 8.20 1nu7H1 LEU 73 HA -0.08 -0.02 0.47 -0.75 4.35 3.97 1nu7H1 LEU 73 HB2 0.00 0.16 0.22 -0.04 1.64 1.99 1nu7H1 LEU 73 HB3 -0.05 0.01 0.01 -0.04 1.64 1.56 1nu7H1 LEU 73 HG 0.05 -0.01 0.02 -0.04 1.64 1.66 1nu7H1 LEU 73 HD13 0.15 -0.03 0.00 -0.04 0.93 1.02 1nu7H1 LEU 73 HD23 0.26 0.01 0.01 -0.04 0.89 1.13 1nu7H1 LEU 74 H -0.08 0.66 -0.04 -0.55 8.37 8.37 1nu7H1 LEU 74 HA 0.00 0.00 0.43 -0.75 4.35 4.03 1nu7H1 LEU 74 HB2 -0.04 0.04 0.10 -0.04 1.64 1.70 1nu7H1 LEU 74 HB3 -0.03 0.05 0.19 -0.04 1.64 1.81 1nu7H1 LEU 74 HG 0.06 -0.03 -0.15 -0.04 1.64 1.47 1nu7H1 LEU 74 HD13 0.16 -0.01 0.03 -0.04 0.93 1.06 1nu7H1 LEU 74 HD23 0.00 -0.00 -0.02 -0.04 0.89 0.83 1nu7H1 GLU 75 H -0.14 0.84 -0.02 -0.55 8.60 8.73 1nu7H1 GLU 75 HA 0.02 0.00 0.48 -0.75 4.29 4.04 1nu7H1 GLU 75 HB2 -0.52 0.11 0.19 -0.04 2.09 1.83 1nu7H1 GLU 75 HB3 -0.06 -0.03 0.06 -0.04 1.99 1.92 1nu7H1 GLU 75 HG2 0.07 -0.01 0.03 -0.04 2.34 2.40 1nu7H1 GLU 75 HG3 -0.05 0.06 0.08 -0.04 2.34 2.40 1nu7H1 ARG 76 H -0.32 0.52 -0.17 -0.55 8.46 7.95 1nu7H1 ARG 76 HA -0.08 0.01 0.47 -0.75 4.34 3.99 1nu7H1 ARG 76 HB2 -0.17 0.11 0.22 -0.04 1.90 2.02 1nu7H1 ARG 76 HB3 -0.10 -0.05 0.10 -0.04 1.80 1.70 1nu7H1 ARG 76 HG2 -0.87 0.08 0.13 -0.04 1.67 0.96 1nu7H1 ARG 76 HG3 -0.72 -0.06 0.01 -0.04 1.67 0.85 1nu7H1 ARG 76 HD2 -0.44 -0.05 0.01 -0.04 3.22 2.70 1nu7H1 ARG 76 HD3 -0.11 -0.03 0.04 -0.04 3.22 3.07 1nu7H1 LYS 77 H -0.00 0.63 -0.11 -0.55 8.42 8.38 1nu7H1 LYS 77 HA 0.16 -0.08 0.42 -0.75 4.32 4.06 1nu7H1 LYS 77 HB2 -0.00 -0.00 0.12 -0.04 1.87 1.95 1nu7H1 LYS 77 HB3 0.13 0.15 0.16 -0.04 1.79 2.19 1nu7H1 LYS 77 HG2 0.03 -0.02 -0.21 -0.04 1.46 1.22 1nu7H1 LYS 77 HG3 0.05 -0.12 -0.10 -0.04 1.46 1.25 1nu7H1 LYS 77 HD2 -0.23 -0.07 -0.02 -0.04 1.69 1.32 1nu7H1 LYS 77 HD3 -0.35 -0.01 -0.03 -0.04 1.68 1.24 1nu7H1 LYS 77 HE2 -1.76 0.01 -0.01 -0.04 2.99 1.19 1nu7H1 LYS 77 HE3 -0.34 -0.11 -0.23 -0.04 2.99 2.26 1nu7H1 LYS 78 H 0.17 0.54 -0.15 -0.55 8.42 8.44 1nu7H1 LYS 78 HA 0.36 0.00 0.44 -0.75 4.32 4.37 1nu7H1 LYS 78 HB2 0.09 0.12 0.20 -0.04 1.87 2.24 1nu7H1 LYS 78 HB3 0.05 -0.03 0.01 -0.04 1.79 1.77 1nu7H1 LYS 78 HG2 -0.29 -0.05 0.02 -0.04 1.46 1.11 1nu7H1 LYS 78 HG3 0.17 0.05 0.04 -0.04 1.46 1.67 1nu7H1 LYS 78 HD2 0.02 0.00 -0.10 -0.04 1.69 1.57 1nu7H1 LYS 78 HD3 -0.04 -0.01 -0.02 -0.04 1.68 1.57 1nu7H1 LYS 78 HE2 -0.28 -0.02 -0.02 -0.04 2.99 2.63 1nu7H1 LYS 78 HE3 -0.08 -0.00 -0.04 -0.04 2.99 2.83 1nu7H1 VAL 79 H 0.13 0.60 -0.07 -0.55 8.24 8.34 1nu7H1 VAL 79 HA 0.09 0.03 0.44 -0.75 4.13 3.93 1nu7H1 VAL 79 HB 0.11 0.08 0.22 -0.04 2.12 2.50 1nu7H1 VAL 79 HG13 0.09 -0.02 -0.09 -0.04 0.97 0.91 1nu7H1 VAL 79 HG23 0.17 0.03 0.07 -0.04 0.95 1.18 1nu7H1 GLN 80 H 0.15 0.68 -0.07 -0.55 8.47 8.69 1nu7H1 GLN 80 HA 0.13 0.02 0.48 -0.75 4.36 4.24 1nu7H1 GLN 80 HB2 0.28 0.10 0.18 -0.04 2.15 2.67 1nu7H1 GLN 80 HB3 0.30 -0.10 0.09 -0.04 2.02 2.27 1nu7H1 GLN 80 HG2 0.11 -0.02 0.07 -0.04 2.40 2.52 1nu7H1 GLN 80 HG3 0.10 0.13 0.13 -0.04 2.39 2.71 1nu7H1 GLN 80 HE21 0.01 0.21 0.12 -0.04 6.97 7.27 1nu7H1 GLN 80 HE22 0.02 0.02 0.07 -0.04 7.69 7.76 1nu7H1 TYR 81 H 0.25 0.64 -0.18 -0.55 8.29 8.44 1nu7H1 TYR 81 HA -0.65 -0.01 0.43 -0.75 4.56 3.58 1nu7H1 TYR 81 HB2 -0.08 0.10 0.10 -0.04 3.06 3.14 1nu7H1 TYR 81 HB3 0.11 0.08 0.13 -0.04 2.98 3.26 1nu7H1 TYR 81 HD2 -0.62 0.01 -0.05 -0.04 7.15 6.45 1nu7H1 TYR 81 HE2 0.04 0.04 -0.17 -0.04 6.85 6.72 1nu7H1 GLU 82 H 0.10 0.52 -0.18 -0.55 8.60 8.50 1nu7H1 GLU 82 HA -0.10 0.00 0.45 -0.75 4.29 3.90 1nu7H1 GLU 82 HB2 0.04 0.21 0.23 -0.04 2.09 2.53 1nu7H1 GLU 82 HB3 -0.00 -0.05 0.06 -0.04 1.99 1.96 1nu7H1 GLU 82 HG2 0.08 0.18 0.13 -0.04 2.34 2.69 1nu7H1 GLU 82 HG3 0.03 -0.01 0.05 -0.04 2.34 2.37 1nu7H1 GLU 83 H 0.04 0.42 -0.12 -0.55 8.60 8.39 1nu7H1 GLU 83 HA 0.00 0.02 0.46 -0.75 4.29 4.03 1nu7H1 GLU 83 HB2 0.08 0.11 0.19 -0.04 2.09 2.43 1nu7H1 GLU 83 HB3 0.07 -0.05 0.03 -0.04 1.99 1.99 1nu7H1 GLU 83 HG2 0.05 0.11 0.07 -0.04 2.34 2.53 1nu7H1 GLU 83 HG3 0.06 -0.02 0.03 -0.04 2.34 2.37 1nu7H1 TYR 84 H 0.06 0.55 -0.19 -0.55 8.29 8.16 1nu7H1 TYR 84 HA -0.00 -0.02 0.42 -0.75 4.56 4.21 1nu7H1 TYR 84 HB2 0.04 -0.03 0.11 -0.04 3.06 3.14 1nu7H1 TYR 84 HB3 -0.40 0.11 0.24 -0.04 2.98 2.89 1nu7H1 TYR 84 HD2 -0.32 0.04 0.00 -0.04 7.15 6.83 1nu7H1 TYR 84 HE2 0.03 0.09 -0.00 -0.04 6.85 6.93 1nu7H1 LYS 85 H -0.29 0.57 -0.18 -0.55 8.42 7.96 1nu7H1 LYS 85 HA -0.51 0.00 0.46 -0.75 4.32 3.52 1nu7H1 LYS 85 HB2 -0.25 0.15 0.20 -0.04 1.87 1.92 1nu7H1 LYS 85 HB3 -0.19 -0.05 0.03 -0.04 1.79 1.54 1nu7H1 LYS 85 HG2 -0.34 -0.04 0.03 -0.04 1.46 1.07 1nu7H1 LYS 85 HG3 -0.75 -0.00 0.03 -0.04 1.46 0.69 1nu7H1 LYS 85 HD2 -0.85 -0.07 -0.05 -0.04 1.69 0.68 1nu7H1 LYS 85 HD3 -0.51 0.10 -0.09 -0.04 1.68 1.14 1nu7H1 LYS 85 HE2 -0.13 0.02 0.02 -0.04 2.99 2.86 1nu7H1 LYS 85 HE3 -0.08 -0.02 -0.00 -0.04 2.99 2.84 1nu7H1 LYS 86 H -0.11 0.45 -0.11 -0.55 8.42 8.09 1nu7H1 LYS 86 HA -0.05 0.02 0.44 -0.75 4.32 3.97 1nu7H1 LYS 86 HB2 -0.03 0.14 0.20 -0.04 1.87 2.14 1nu7H1 LYS 86 HB3 -0.02 -0.05 0.05 -0.04 1.79 1.73 1nu7H1 LYS 86 HG2 -0.03 -0.04 0.06 -0.04 1.46 1.41 1nu7H1 LYS 86 HG3 -0.05 0.12 0.12 -0.04 1.46 1.61 1nu7H1 LYS 86 HD2 -0.01 -0.01 0.03 -0.04 1.69 1.66 1nu7H1 LYS 86 HD3 -0.01 -0.03 0.02 -0.04 1.68 1.62 1nu7H1 LYS 86 HE2 -0.01 -0.02 0.00 -0.04 2.99 2.92 1nu7H1 LYS 86 HE3 -0.02 0.03 -0.03 -0.04 2.99 2.93 1nu7H1 LEU 87 H -0.07 0.59 -0.13 -0.55 8.37 8.22 1nu7H1 LEU 87 HA -0.01 -0.01 0.40 -0.75 4.35 3.98 1nu7H1 LEU 87 HB2 0.03 0.03 0.12 -0.04 1.64 1.78 1nu7H1 LEU 87 HB3 -0.01 0.11 0.16 -0.04 1.64 1.86 1nu7H1 LEU 87 HG 0.03 -0.01 -0.13 -0.04 1.64 1.49 1nu7H1 LEU 87 HD13 0.04 -0.02 0.05 -0.04 0.93 0.96 1nu7H1 LEU 87 HD23 0.09 -0.01 -0.01 -0.04 0.89 0.92 1nu7H1 TYR 88 H -0.20 0.68 -0.12 -0.55 8.29 8.11 1nu7H1 TYR 88 HA -0.09 -0.02 0.40 -0.75 4.56 4.09 1nu7H1 TYR 88 HB2 -0.71 -0.00 0.13 -0.04 3.06 2.43 1nu7H1 TYR 88 HB3 -0.38 0.12 0.21 -0.04 2.98 2.89 1nu7H1 TYR 88 HD2 -0.08 0.01 -0.11 -0.04 7.15 6.93 1nu7H1 TYR 88 HE2 0.05 0.02 -0.22 -0.04 6.85 6.65 1nu7H1 LYS 89 H -0.01 0.60 -0.14 -0.55 8.42 8.31 1nu7H1 LYS 89 HA -0.07 0.01 0.43 -0.75 4.32 3.94 1nu7H1 LYS 89 HB2 0.01 0.03 0.15 -0.04 1.87 2.01 1nu7H1 LYS 89 HB3 -0.03 0.11 0.18 -0.04 1.79 2.01 1nu7H1 LYS 89 HG2 -0.03 -0.02 -0.12 -0.04 1.46 1.25 1nu7H1 LYS 89 HG3 -0.01 -0.02 0.06 -0.04 1.46 1.45 1nu7H1 LYS 89 HD2 -0.01 -0.02 -0.00 -0.04 1.69 1.62 1nu7H1 LYS 89 HD3 -0.00 -0.01 0.01 -0.04 1.68 1.64 1nu7H1 LYS 89 HE2 -0.01 -0.03 0.00 -0.04 2.99 2.91 1nu7H1 LYS 89 HE3 -0.02 0.05 0.04 -0.04 2.99 3.01 1nu7H1 LYS 90 H -0.04 0.55 -0.08 -0.55 8.42 8.30 1nu7H1 LYS 90 HA -0.04 -0.00 0.42 -0.75 4.32 3.94 1nu7H1 LYS 90 HB2 -0.01 0.01 0.13 -0.04 1.87 1.95 1nu7H1 LYS 90 HB3 0.00 0.11 0.16 -0.04 1.79 2.02 1nu7H1 LYS 90 HG2 -0.00 -0.01 -0.14 -0.04 1.46 1.27 1nu7H1 LYS 90 HG3 -0.02 -0.03 0.06 -0.04 1.46 1.43 1nu7H1 LYS 90 HD2 0.01 -0.00 -0.01 -0.04 1.69 1.65 1nu7H1 LYS 90 HD3 0.00 -0.02 -0.01 -0.04 1.68 1.61 1nu7H1 LYS 90 HE2 -0.00 0.04 0.00 -0.04 2.99 2.98 1nu7H1 LYS 90 HE3 0.00 -0.03 -0.01 -0.04 2.99 2.92 1nu7H1 TYR 91 H 0.02 0.61 -0.17 -0.55 8.29 8.19 1nu7H1 TYR 91 HA -0.09 -0.03 0.38 -0.75 4.56 4.07 1nu7H1 TYR 91 HB2 -0.09 -0.04 0.09 -0.04 3.06 2.98 1nu7H1 TYR 91 HB3 -0.29 0.19 0.18 -0.04 2.98 3.02 1nu7H1 TYR 91 HD2 -0.23 0.04 -0.06 -0.04 7.15 6.86 1nu7H1 TYR 91 HE2 -0.02 -0.03 -0.03 -0.04 6.85 6.72 1nu7H1 LYS 92 H -0.23 0.48 -0.21 -0.55 8.42 7.90 1nu7H1 LYS 92 HA -0.38 0.11 0.46 -0.75 4.32 3.76 1nu7H1 LYS 92 HB2 -0.18 0.07 0.15 -0.04 1.87 1.87 1nu7H1 LYS 92 HB3 -0.14 -0.01 0.00 -0.04 1.79 1.60 1nu7H1 LYS 92 HG2 -0.82 0.19 0.06 -0.04 1.46 0.85 1nu7H1 LYS 92 HG3 -0.27 -0.08 0.00 -0.04 1.46 1.07 1nu7H1 LYS 92 HD2 -0.23 -0.02 -0.03 -0.04 1.69 1.37 1nu7H1 LYS 92 HD3 -0.19 -0.01 -0.05 -0.04 1.68 1.39 1nu7H1 LYS 92 HE2 0.08 0.07 -0.03 -0.04 2.99 3.07 1nu7H1 LYS 92 HE3 0.02 -0.10 0.01 -0.04 2.99 2.88 1nu7H1 GLU 93 H -0.13 0.53 -0.06 -0.55 8.60 8.40 1nu7H1 GLU 93 HA -0.08 -0.01 0.37 -0.75 4.29 3.82 1nu7H1 GLU 93 HB2 -0.07 0.16 0.17 -0.04 2.09 2.32 1nu7H1 GLU 93 HB3 -0.05 -0.07 0.04 -0.04 1.99 1.86 1nu7H1 GLU 93 HG2 -0.05 -0.06 0.05 -0.04 2.34 2.24 1nu7H1 GLU 93 HG3 -0.06 0.24 0.09 -0.04 2.34 2.57 1nu7H1 GLU 94 H -0.15 0.34 -0.43 -0.55 8.60 7.81 1nu7H1 GLU 94 HA -0.09 0.05 0.62 -0.75 4.29 4.12 1nu7H1 GLU 94 HB2 -0.12 0.10 0.12 -0.04 2.09 2.16 1nu7H1 GLU 94 HB3 -0.09 -0.08 0.01 -0.04 1.99 1.79 1nu7H1 GLU 94 HG2 -0.04 -0.06 0.03 -0.04 2.34 2.23 1nu7H1 GLU 94 HG3 -0.05 -0.02 -0.05 -0.04 2.34 2.18 1nu7H1 ASN 95 H -0.34 0.40 -0.21 -0.55 8.53 7.84 1nu7H1 ASN 95 HA -0.17 0.10 0.90 -0.75 4.76 4.84 1nu7H1 ASN 95 HB2 -0.84 0.09 0.24 -0.04 2.88 2.33 1nu7H1 ASN 95 HB3 -0.28 -0.16 0.16 -0.04 2.79 2.47 1nu7H1 ASN 95 HD21 -0.04 -0.04 -0.02 -0.04 7.03 6.89 1nu7H1 ASN 95 HD22 -0.09 -0.06 0.02 -0.04 7.74 7.57 1nu7H1 PRO 96 HA -0.09 0.16 0.46 -0.51 4.44 4.46 1nu7H1 PRO 96 HB2 -0.05 -0.08 0.05 -0.04 2.28 2.16 1nu7H1 PRO 96 HB3 -0.05 -0.01 0.08 -0.04 2.02 2.00 1nu7H1 PRO 96 HG2 -0.06 -0.03 0.04 -0.04 2.03 1.94 1nu7H1 PRO 96 HG3 -0.08 0.17 0.03 -0.04 2.03 2.11 1nu7H1 PRO 96 HD2 -0.08 -0.01 0.06 -0.04 3.68 3.61 1nu7H1 PRO 96 HD3 -0.12 0.19 -0.82 -0.04 3.65 2.87 1nu7H1 THR 97 H -0.06 0.08 -0.17 -0.55 8.28 7.57 1nu7H1 THR 97 HA -0.02 0.12 0.46 -0.75 4.39 4.20 1nu7H1 THR 97 HB -0.01 -0.01 0.09 -0.04 4.32 4.35 1nu7H1 THR 97 HG23 -0.03 -0.00 0.02 -0.04 1.22 1.17 1nu7H1 SER 98 H -0.09 0.35 -0.47 -0.55 8.46 7.71 1nu7H1 SER 98 HA 0.02 -0.10 0.39 -0.75 4.49 4.05 1nu7H1 SER 98 HB2 -0.15 -0.06 0.15 -0.04 3.95 3.85 1nu7H1 SER 98 HB3 -0.15 0.28 0.18 -0.04 3.93 4.20 1nu7H1 LYS 99 H 0.07 0.05 0.17 -0.55 8.42 8.15 1nu7H1 LYS 99 HA 0.07 0.28 0.84 -0.75 4.32 4.75 1nu7H1 LYS 99 HB2 0.05 -0.07 0.10 -0.04 1.87 1.91 1nu7H1 LYS 99 HB3 0.05 -0.04 0.18 -0.04 1.79 1.94 1nu7H1 LYS 99 HG2 0.03 0.06 -0.06 -0.04 1.46 1.45 1nu7H1 LYS 99 HG3 0.03 0.19 -0.02 -0.04 1.46 1.62 1nu7H1 LYS 99 HD2 0.03 -0.05 0.03 -0.04 1.69 1.65 1nu7H1 LYS 99 HD3 0.03 -0.04 0.03 -0.04 1.68 1.65 1nu7H1 LYS 99 HE2 0.02 0.02 0.00 -0.04 2.99 2.98 1nu7H1 LYS 99 HE3 0.02 0.05 0.02 -0.04 2.99 3.03 1nu7H1 VAL 100 H 0.17 0.05 -0.20 -0.55 8.24 7.71 1nu7H1 VAL 100 HA 0.13 0.04 0.53 -0.75 4.13 4.07 1nu7H1 VAL 100 HB 0.31 0.03 -0.02 -0.04 2.12 2.40 1nu7H1 VAL 100 HG13 0.14 0.03 -0.08 -0.04 0.97 1.01 1nu7H1 VAL 100 HG23 0.16 -0.02 0.02 -0.04 0.95 1.06 1nu7H1 LYS 101 H 0.12 0.09 0.16 -0.55 8.42 8.23 1nu7H1 LYS 101 HA 0.15 0.18 0.77 -0.75 4.32 4.67 1nu7H1 LYS 101 HB2 0.05 -0.06 0.03 -0.04 1.87 1.86 1nu7H1 LYS 101 HB3 0.02 0.05 0.00 -0.04 1.79 1.82 1nu7H1 LYS 101 HG2 0.07 0.05 0.01 -0.04 1.46 1.55 1nu7H1 LYS 101 HG3 0.05 -0.03 -0.00 -0.04 1.46 1.43 1nu7H1 LYS 101 HD2 0.06 -0.04 -0.03 -0.04 1.69 1.65 1nu7H1 LYS 101 HD3 0.11 0.10 -0.29 -0.04 1.68 1.56 1nu7H1 LYS 101 HE2 0.05 -0.06 -0.02 -0.04 2.99 2.91 1nu7H1 LYS 101 HE3 0.06 -0.01 -0.05 -0.04 2.99 2.96 1nu7H1 MET 102 H -0.31 0.14 0.12 -0.55 8.47 7.86 1nu7H1 MET 102 HA -0.53 0.02 0.44 -0.75 4.52 3.69 1nu7H1 MET 102 HB2 -2.05 0.03 0.09 -0.04 2.15 0.18 1nu7H1 MET 102 HB3 -0.43 -0.03 0.08 -0.04 2.03 1.61 1nu7H1 MET 102 HG2 -0.12 0.24 -0.13 -0.04 2.63 2.58 1nu7H1 MET 102 HG3 -0.69 -0.05 0.04 -0.04 2.56 1.82 1nu7H1 MET 102 HE3 -0.07 -0.01 -0.04 -0.04 2.10 1.94 1nu7H1 LYS 103 H 0.30 0.08 0.15 -0.55 8.42 8.39 1nu7H1 LYS 103 HA 0.08 0.07 0.48 -0.75 4.32 4.20 1nu7H1 LYS 103 HB2 0.14 -0.03 0.03 -0.04 1.87 1.97 1nu7H1 LYS 103 HB3 0.09 -0.02 -0.02 -0.04 1.79 1.80 1nu7H1 LYS 103 HG2 0.06 0.03 -0.01 -0.04 1.46 1.50 1nu7H1 LYS 103 HG3 0.12 0.00 0.05 -0.04 1.46 1.60 1nu7H1 LYS 103 HD2 -0.01 -0.05 -0.12 -0.04 1.69 1.46 1nu7H1 LYS 103 HD3 -0.01 0.06 -0.16 -0.04 1.68 1.53 1nu7H1 LYS 103 HE2 0.01 0.01 -0.02 -0.04 2.99 2.95 1nu7H1 LYS 103 HE3 -0.03 -0.02 -0.01 -0.04 2.99 2.90 1nu7H1 THR 104 H 0.07 0.07 0.17 -0.55 8.28 8.03 1nu7H1 THR 104 HA 0.17 0.20 0.51 -0.75 4.39 4.51 1nu7H1 THR 104 HB 0.04 -0.04 0.15 -0.04 4.32 4.43 1nu7H1 THR 104 HG23 0.04 0.05 0.04 -0.04 1.22 1.31 1nu7H1 PHE 105 H -0.04 0.19 0.15 -0.55 8.34 8.09 1nu7H1 PHE 105 HA -1.35 0.12 0.38 -0.75 4.62 3.03 1nu7H1 PHE 105 HB2 -0.68 0.04 0.11 -0.04 3.15 2.58 1nu7H1 PHE 105 HB3 -0.27 -0.03 0.11 -0.04 3.06 2.83 1nu7H1 PHE 105 HD2 -0.36 -0.01 -0.09 -0.04 7.28 6.78 1nu7H1 PHE 105 HE2 -0.04 -0.01 -0.20 -0.04 7.38 7.10 1nu7H1 PHE 105 HZ -0.04 0.01 -0.05 -0.04 7.32 7.20 1nu7H1 ASP 106 H -0.04 0.01 -0.20 -0.55 8.40 7.62 1nu7H1 ASP 106 HA -0.26 0.22 0.55 -0.75 4.63 4.38 1nu7H1 ASP 106 HB2 -0.02 -0.04 0.01 -0.04 2.71 2.62 1nu7H1 ASP 106 HB3 -0.05 0.06 0.07 -0.04 2.70 2.74 1nu7H1 GLN 107 H -0.08 0.06 -0.41 -0.55 8.47 7.50 1nu7H1 GLN 107 HA -0.06 0.16 0.69 -0.75 4.36 4.39 1nu7H1 GLN 107 HB2 0.01 -0.08 0.11 -0.04 2.15 2.15 1nu7H1 GLN 107 HB3 -0.01 0.03 0.01 -0.04 2.02 2.00 1nu7H1 GLN 107 HG2 -0.02 0.07 0.00 -0.04 2.40 2.42 1nu7H1 GLN 107 HG3 -0.01 -0.08 -0.05 -0.04 2.39 2.20 1nu7H1 GLN 107 HE21 0.02 0.05 -0.00 -0.04 6.97 6.99 1nu7H1 GLN 107 HE22 0.00 0.03 -0.00 -0.04 7.69 7.68 1nu7H1 TYR 108 H -0.07 0.18 -0.23 -0.55 8.29 7.61 1nu7H1 TYR 108 HA -0.20 -0.02 0.38 -0.75 4.56 3.97 1nu7H1 TYR 108 HB2 -0.12 0.05 -0.00 -0.04 3.06 2.95 1nu7H1 TYR 108 HB3 -0.45 0.14 0.04 -0.04 2.98 2.68 1nu7H1 TYR 108 HD2 -0.41 -0.01 -0.12 -0.04 7.15 6.56 1nu7H1 TYR 108 HE2 -0.20 -0.05 -0.07 -0.04 6.85 6.49 1nu7H1 THR 109 H -0.83 0.20 0.16 -0.55 8.28 7.26 1nu7H1 THR 109 HA -0.35 0.18 0.77 -0.75 4.39 4.24 1nu7H1 THR 109 HB -0.23 -0.04 0.03 -0.04 4.32 4.03 1nu7H1 THR 109 HG23 -0.18 0.04 -0.16 -0.04 1.22 0.89 1nu7H1 ILE 110 H -0.24 0.12 0.08 -0.55 8.25 7.65 1nu7H1 ILE 110 HA -0.15 0.00 0.38 -0.75 4.18 3.65 1nu7H1 ILE 110 HB -0.10 -0.02 0.08 -0.04 1.89 1.82 1nu7H1 ILE 110 HG12 -0.02 0.01 -0.00 -0.04 1.49 1.44 1nu7H1 ILE 110 HG13 -0.09 0.01 0.08 -0.04 1.21 1.16 1nu7H1 ILE 110 HG23 -0.03 -0.02 -0.25 -0.04 0.93 0.59 1nu7H1 ILE 110 HD13 -0.03 0.04 0.03 -0.04 0.88 0.88 1nu7H1 GLU 111 H -0.05 0.07 0.21 -0.55 8.60 8.29 1nu7H1 GLU 111 HA -0.11 0.21 0.89 -0.75 4.29 4.53 1nu7H1 GLU 111 HB2 0.07 -0.02 0.10 -0.04 2.09 2.20 1nu7H1 GLU 111 HB3 0.01 -0.02 0.08 -0.04 1.99 2.03 1nu7H1 GLU 111 HG2 -0.12 -0.00 0.01 -0.04 2.34 2.19 1nu7H1 GLU 111 HG3 -0.30 0.15 0.01 -0.04 2.34 2.15 1nu7H1 ASP 112 H 0.01 0.05 0.06 -0.55 8.40 7.97 1nu7H1 ASP 112 HA 0.01 0.23 1.04 -0.75 4.63 5.15 1nu7H1 ASP 112 HB2 0.03 -0.02 0.14 -0.04 2.71 2.82 1nu7H1 ASP 112 HB3 0.02 0.07 -0.03 -0.04 2.70 2.72 1nu7H1 LEU 113 H 0.00 0.32 0.21 -0.55 8.37 8.35 1nu7H1 LEU 113 HA 0.04 0.13 0.69 -0.75 4.35 4.45 1nu7H1 LEU 113 HB2 0.02 0.07 -0.28 -0.04 1.64 1.40 1nu7H1 LEU 113 HB3 0.01 -0.02 -0.08 -0.04 1.64 1.50 1nu7H1 LEU 113 HG 0.08 0.06 -0.02 -0.04 1.64 1.72 1nu7H1 LEU 113 HD13 0.10 0.00 0.03 -0.04 0.93 1.02 1nu7H1 LEU 113 HD23 0.11 -0.01 -0.11 -0.04 0.89 0.84 1nu7H1 THR 114 H 0.05 0.10 0.15 -0.55 8.28 8.03 1nu7H1 THR 114 HA 0.02 0.42 0.98 -0.75 4.39 5.05 1nu7H1 THR 114 HB 0.03 -0.02 0.07 -0.04 4.32 4.36 1nu7H1 THR 114 HG23 0.02 0.04 -0.42 -0.04 1.22 0.82 1nu7H1 MET 115 H 0.02 0.33 0.17 -0.55 8.47 8.45 1nu7H1 MET 115 HA 0.09 0.08 0.45 -0.75 4.52 4.39 1nu7H1 MET 115 HB2 0.02 0.03 0.13 -0.04 2.15 2.28 1nu7H1 MET 115 HB3 0.05 0.04 0.05 -0.04 2.03 2.13 1nu7H1 MET 115 HG2 -0.02 0.02 0.06 -0.04 2.63 2.65 1nu7H1 MET 115 HG3 -0.03 0.06 0.04 -0.04 2.56 2.58 1nu7H1 MET 115 HE3 0.03 -0.00 0.03 -0.04 2.10 2.12 1nu7H1 ARG 116 H 0.04 0.11 -0.22 -0.55 8.46 7.84 1nu7H1 ARG 116 HA 0.03 0.13 0.40 -0.75 4.34 4.14 1nu7H1 ARG 116 HB2 0.03 0.03 0.11 -0.04 1.90 2.02 1nu7H1 ARG 116 HB3 0.02 0.04 0.06 -0.04 1.80 1.88 1nu7H1 ARG 116 HG2 0.00 -0.04 -0.03 -0.04 1.67 1.56 1nu7H1 ARG 116 HG3 0.01 0.02 0.08 -0.04 1.67 1.74 1nu7H1 ARG 116 HD2 0.02 -0.00 -0.00 -0.04 3.22 3.20 1nu7H1 ARG 116 HD3 0.01 0.04 0.01 -0.04 3.22 3.23 1nu7H1 GLU 117 H 0.04 0.13 -0.25 -0.55 8.60 7.98 1nu7H1 GLU 117 HA -0.06 0.03 0.43 -0.75 4.29 3.94 1nu7H1 GLU 117 HB2 0.08 0.03 0.17 -0.04 2.09 2.33 1nu7H1 GLU 117 HB3 0.09 0.06 -0.01 -0.04 1.99 2.10 1nu7H1 GLU 117 HG2 0.08 0.00 -0.11 -0.04 2.34 2.27 1nu7H1 GLU 117 HG3 0.05 0.02 -0.24 -0.04 2.34 2.12 1nu7H1 TYR 118 H 0.15 0.45 -0.08 -0.55 8.29 8.27 1nu7H1 TYR 118 HA -0.01 0.03 0.38 -0.75 4.56 4.20 1nu7H1 TYR 118 HB2 -0.01 -0.00 0.06 -0.04 3.06 3.07 1nu7H1 TYR 118 HB3 -0.00 0.08 0.15 -0.04 2.98 3.17 1nu7H1 TYR 118 HD2 -0.02 0.02 -0.09 -0.04 7.15 7.02 1nu7H1 TYR 118 HE2 -0.03 0.05 -0.02 -0.04 6.85 6.80 1nu7H1 ASN 119 H 0.11 0.60 -0.14 -0.55 8.53 8.56 1nu7H1 ASN 119 HA -0.10 0.04 0.44 -0.75 4.76 4.38 1nu7H1 ASN 119 HB2 0.02 0.04 0.14 -0.04 2.88 3.04 1nu7H1 ASN 119 HB3 0.01 -0.01 0.03 -0.04 2.79 2.77 1nu7H1 ASN 119 HD21 0.09 -0.05 -0.02 -0.04 7.03 7.01 1nu7H1 ASN 119 HD22 0.05 -0.05 -0.07 -0.04 7.74 7.64 1nu7H1 GLU 120 H -0.07 0.53 -0.13 -0.55 8.60 8.39 1nu7H1 GLU 120 HA -0.09 0.07 0.54 -0.75 4.29 4.05 1nu7H1 GLU 120 HB2 -0.10 0.17 0.26 -0.04 2.09 2.38 1nu7H1 GLU 120 HB3 -0.14 -0.06 -0.03 -0.04 1.99 1.72 1nu7H1 GLU 120 HG2 -0.07 0.07 0.07 -0.04 2.34 2.37 1nu7H1 GLU 120 HG3 -0.05 -0.00 0.04 -0.04 2.34 2.29 1nu7H1 LEU 121 H -0.17 0.79 -0.01 -0.55 8.37 8.43 1nu7H1 LEU 121 HA -0.17 -0.03 0.48 -0.75 4.35 3.87 1nu7H1 LEU 121 HB2 -0.20 0.11 0.20 -0.04 1.64 1.70 1nu7H1 LEU 121 HB3 -0.15 -0.02 0.02 -0.04 1.64 1.45 1nu7H1 LEU 121 HG -0.19 0.01 0.06 -0.04 1.64 1.48 1nu7H1 LEU 121 HD13 0.11 -0.02 -0.10 -0.04 0.93 0.88 1nu7H1 LEU 121 HD23 -0.00 -0.01 0.07 -0.04 0.89 0.90 1nu7H1 THR 122 H -0.37 0.69 -0.04 -0.55 8.28 8.01 1nu7H1 THR 122 HA -0.31 -0.01 0.35 -0.75 4.39 3.67 1nu7H1 THR 122 HB -0.32 0.07 0.18 -0.04 4.32 4.20 1nu7H1 THR 122 HG23 -0.16 -0.02 -0.06 -0.04 1.22 0.95 1nu7H1 GLU 123 H -0.16 0.57 -0.20 -0.55 8.60 8.27 1nu7H1 GLU 123 HA -0.09 0.02 0.54 -0.75 4.29 4.01 1nu7H1 GLU 123 HB2 -0.08 0.09 0.18 -0.04 2.09 2.24 1nu7H1 GLU 123 HB3 -0.06 -0.05 0.04 -0.04 1.99 1.88 1nu7H1 GLU 123 HG2 -0.06 0.09 0.08 -0.04 2.34 2.41 1nu7H1 GLU 123 HG3 -0.04 -0.04 0.03 -0.04 2.34 2.25 1nu7H1 SER 124 H -0.13 0.53 -0.24 -0.55 8.46 8.07 1nu7H1 SER 124 HA -0.07 0.03 0.51 -0.75 4.49 4.20 1nu7H1 SER 124 HB2 -0.11 0.07 0.16 -0.04 3.95 4.03 1nu7H1 SER 124 HB3 -0.13 0.07 0.25 -0.04 3.93 4.09 1nu7H1 LEU 125 H -0.18 0.66 0.01 -0.55 8.37 8.31 1nu7H1 LEU 125 HA -0.14 0.01 0.39 -0.75 4.35 3.86 1nu7H1 LEU 125 HB2 -0.26 0.08 0.12 -0.04 1.64 1.55 1nu7H1 LEU 125 HB3 -0.24 -0.01 0.01 -0.04 1.64 1.36 1nu7H1 LEU 125 HG -0.37 0.10 0.06 -0.04 1.64 1.40 1nu7H1 LEU 125 HD13 -1.06 -0.00 -0.11 -0.04 0.93 -0.29 1nu7H1 LEU 125 HD23 -0.24 -0.01 -0.01 -0.04 0.89 0.59 1nu7H1 LYS 126 H -0.12 0.50 -0.18 -0.55 8.42 8.06 1nu7H1 LYS 126 HA -0.06 -0.01 0.41 -0.75 4.32 3.91 1nu7H1 LYS 126 HB2 -0.09 0.19 0.21 -0.04 1.87 2.14 1nu7H1 LYS 126 HB3 -0.06 0.07 0.16 -0.04 1.79 1.92 1nu7H1 LYS 126 HG2 -0.03 -0.02 -0.05 -0.04 1.46 1.31 1nu7H1 LYS 126 HG3 -0.04 -0.04 0.07 -0.04 1.46 1.42 1nu7H1 LYS 126 HD2 -0.04 -0.00 0.00 -0.04 1.69 1.61 1nu7H1 LYS 126 HD3 -0.03 -0.02 0.00 -0.04 1.68 1.59 1nu7H1 LYS 126 HE2 -0.05 -0.02 0.02 -0.04 2.99 2.90 1nu7H1 LYS 126 HE3 -0.08 0.14 0.00 -0.04 2.99 3.01 1nu7H1 SER 127 H -0.06 0.62 -0.16 -0.55 8.46 8.31 1nu7H1 SER 127 HA -0.02 -0.02 0.48 -0.75 4.49 4.17 1nu7H1 SER 127 HB2 -0.04 0.01 0.16 -0.04 3.95 4.05 1nu7H1 SER 127 HB3 -0.04 0.15 0.23 -0.04 3.93 4.22 1nu7H1 ALA 128 H -0.05 0.58 -0.14 -0.55 8.40 8.24 1nu7H1 ALA 128 HA -0.00 0.00 0.49 -0.75 4.34 4.08 1nu7H1 ALA 128 HB3 -0.04 0.02 0.14 -0.04 1.41 1.49 1nu7H1 VAL 129 H -0.04 0.66 -0.03 -0.55 8.24 8.28 1nu7H1 VAL 129 HA 0.02 0.01 0.48 -0.75 4.13 3.89 1nu7H1 VAL 129 HB -0.02 0.09 0.20 -0.04 2.12 2.35 1nu7H1 VAL 129 HG13 0.03 -0.01 -0.07 -0.04 0.97 0.87 1nu7H1 VAL 129 HG23 -0.07 0.03 0.06 -0.04 0.95 0.93 1nu7H1 LYS 130 H 0.00 0.71 0.02 -0.55 8.42 8.60 1nu7H1 LYS 130 HA 0.02 -0.02 0.42 -0.75 4.32 3.99 1nu7H1 LYS 130 HB2 -0.00 0.01 0.15 -0.04 1.87 1.98 1nu7H1 LYS 130 HB3 -0.00 0.11 0.21 -0.04 1.79 2.06 1nu7H1 LYS 130 HG2 0.00 -0.00 -0.25 -0.04 1.46 1.17 1nu7H1 LYS 130 HG3 0.00 -0.05 0.04 -0.04 1.46 1.42 1nu7H1 LYS 130 HD2 -0.01 0.02 0.01 -0.04 1.69 1.66 1nu7H1 LYS 130 HD3 -0.00 -0.02 -0.01 -0.04 1.68 1.60 1nu7H1 LYS 130 HE2 -0.00 -0.02 0.01 -0.04 2.99 2.94 1nu7H1 LYS 130 HE3 -0.01 0.04 0.00 -0.04 2.99 2.98 1nu7H1 ASP 131 H 0.02 0.60 -0.23 -0.55 8.40 8.24 1nu7H1 ASP 131 HA 0.01 -0.01 0.47 -0.75 4.63 4.35 1nu7H1 ASP 131 HB2 0.04 0.19 0.19 -0.04 2.71 3.09 1nu7H1 ASP 131 HB3 0.03 -0.08 0.02 -0.04 2.70 2.62 1nu7H1 PHE 132 H 0.15 0.54 -0.10 -0.55 8.34 8.38 1nu7H1 PHE 132 HA -0.05 -0.01 0.55 -0.75 4.62 4.35 1nu7H1 PHE 132 HB2 -0.06 0.02 0.18 -0.04 3.15 3.24 1nu7H1 PHE 132 HB3 -0.07 0.14 0.25 -0.04 3.06 3.33 1nu7H1 PHE 132 HD2 -0.12 0.08 -0.10 -0.04 7.28 7.10 1nu7H1 PHE 132 HE2 -0.43 0.00 -0.15 -0.04 7.38 6.77 1nu7H1 PHE 132 HZ -0.85 0.08 -0.01 -0.04 7.32 6.49 1nu7H1 GLU 133 H 0.08 0.65 -0.05 -0.55 8.60 8.73 1nu7H1 GLU 133 HA -0.17 0.01 0.44 -0.75 4.29 3.81 1nu7H1 GLU 133 HB2 0.02 0.14 0.18 -0.04 2.09 2.39 1nu7H1 GLU 133 HB3 -0.00 -0.05 0.04 -0.04 1.99 1.94 1nu7H1 GLU 133 HG2 0.05 -0.03 0.04 -0.04 2.34 2.36 1nu7H1 GLU 133 HG3 0.14 0.02 0.02 -0.04 2.34 2.48 1nu7H1 LYS 134 H -0.03 0.44 -0.25 -0.55 8.42 8.02 1nu7H1 LYS 134 HA -0.03 0.02 0.51 -0.75 4.32 4.07 1nu7H1 LYS 134 HB2 -0.01 0.03 0.13 -0.04 1.87 1.97 1nu7H1 LYS 134 HB3 -0.02 0.13 0.21 -0.04 1.79 2.07 1nu7H1 LYS 134 HG2 -0.02 -0.02 -0.17 -0.04 1.46 1.21 1nu7H1 LYS 134 HG3 -0.01 -0.04 0.05 -0.04 1.46 1.41 1nu7H1 LYS 134 HD2 -0.01 -0.00 0.01 -0.04 1.69 1.65 1nu7H1 LYS 134 HD3 -0.01 0.01 0.01 -0.04 1.68 1.65 1nu7H1 LYS 134 HE2 -0.01 -0.01 -0.01 -0.04 2.99 2.93 1nu7H1 LYS 134 HE3 -0.01 -0.01 -0.02 -0.04 2.99 2.91 1nu7H1 ASP 135 H -0.09 0.64 -0.01 -0.55 8.40 8.39 1nu7H1 ASP 135 HA -0.05 0.00 0.45 -0.75 4.63 4.28 1nu7H1 ASP 135 HB2 -0.17 0.15 0.25 -0.04 2.71 2.90 1nu7H1 ASP 135 HB3 -0.07 -0.11 0.09 -0.04 2.70 2.58 1nu7H1 VAL 136 H -0.31 0.58 -0.21 -0.55 8.24 7.75 1nu7H1 VAL 136 HA -0.02 -0.01 0.43 -0.75 4.13 3.78 1nu7H1 VAL 136 HB -0.33 0.13 0.20 -0.04 2.12 2.07 1nu7H1 VAL 136 HG13 0.09 -0.01 -0.16 -0.04 0.97 0.85 1nu7H1 VAL 136 HG23 -1.09 0.01 0.03 -0.04 0.95 -0.14 1nu7H1 GLU 137 H -0.06 0.54 -0.09 -0.55 8.60 8.44 1nu7H1 GLU 137 HA 0.03 0.00 0.40 -0.75 4.29 3.97 1nu7H1 GLU 137 HB2 -0.01 0.06 0.17 -0.04 2.09 2.28 1nu7H1 GLU 137 HB3 -0.02 0.11 0.17 -0.04 1.99 2.22 1nu7H1 GLU 137 HG2 0.00 -0.02 0.01 -0.04 2.34 2.30 1nu7H1 GLU 137 HG3 0.01 -0.02 -0.09 -0.04 2.34 2.20 1nu7H1 ILE 138 H -0.03 0.46 -0.33 -0.55 8.25 7.80 1nu7H1 ILE 138 HA -0.01 0.03 0.49 -0.75 4.18 3.94 1nu7H1 ILE 138 HB -0.03 0.13 0.18 -0.04 1.89 2.13 1nu7H1 ILE 138 HG12 -0.01 -0.06 0.02 -0.04 1.49 1.40 1nu7H1 ILE 138 HG13 -0.02 0.11 0.06 -0.04 1.21 1.33 1nu7H1 ILE 138 HG23 -0.02 -0.02 -0.06 -0.04 0.93 0.78 1nu7H1 ILE 138 HD13 -0.02 -0.03 -0.05 -0.04 0.88 0.74 1nu7H1 ILE 139 H -0.02 0.60 -0.00 -0.55 8.25 8.27 1nu7H1 ILE 139 HA -0.01 -0.00 0.51 -0.75 4.18 3.92 1nu7H1 ILE 139 HB -0.02 0.13 0.23 -0.04 1.89 2.18 1nu7H1 ILE 139 HG12 -0.10 -0.02 0.12 -0.04 1.49 1.44 1nu7H1 ILE 139 HG13 -0.05 0.07 0.14 -0.04 1.21 1.32 1nu7H1 ILE 139 HG23 -0.41 -0.04 -0.16 -0.04 0.93 0.28 1nu7H1 ILE 139 HD13 -0.08 -0.06 -0.02 -0.04 0.88 0.69 1nu7H1 GLU 140 H 0.05 0.61 -0.21 -0.55 8.60 8.51 1nu7H1 GLU 140 HA 0.07 0.07 0.48 -0.75 4.29 4.16 1nu7H1 GLU 140 HB2 0.10 0.07 0.05 -0.04 2.09 2.27 1nu7H1 GLU 140 HB3 0.12 -0.08 -0.03 -0.04 1.99 1.96 1nu7H1 GLU 140 HG2 0.25 -0.06 -0.22 -0.04 2.34 2.27 1nu7H1 GLU 140 HG3 0.24 0.06 -0.04 -0.04 2.34 2.56 1nu7H1 ASN 141 H 0.02 0.37 -0.31 -0.55 8.53 8.06 1nu7H1 ASN 141 HA 0.13 0.04 0.49 -0.75 4.76 4.66 1nu7H1 ASN 141 HB2 0.01 0.09 0.14 -0.04 2.88 3.08 1nu7H1 ASN 141 HB3 0.04 -0.07 0.04 -0.04 2.79 2.76 1nu7H1 ASN 141 HD21 0.02 -0.08 -0.03 -0.04 7.03 6.90 1nu7H1 ASN 141 HD22 0.01 -0.04 -0.01 -0.04 7.74 7.65 1nu7H1 GLN 142 H -0.07 0.26 -0.38 -0.55 8.47 7.73 1nu7H1 GLN 142 HA -0.24 0.07 0.65 -0.75 4.36 4.09 1nu7H1 GLN 142 HB2 -0.15 -0.01 0.10 -0.04 2.15 2.05 1nu7H1 GLN 142 HB3 -0.14 0.17 0.23 -0.04 2.02 2.24 1nu7H1 GLN 142 HG2 -1.08 -0.03 -0.14 -0.04 2.40 1.11 1nu7H1 GLN 142 HG3 -0.45 -0.04 0.01 -0.04 2.39 1.86 1nu7H1 GLN 142 HE21 -0.09 -0.02 0.01 -0.04 6.97 6.83 1nu7H1 GLN 142 HE22 -0.19 -0.01 0.02 -0.04 7.69 7.46 1nu7H1 HIS 143 H -0.07 0.56 0.03 -0.55 8.41 8.38 1nu7H1 HIS 143 HA -0.22 0.12 0.89 -0.75 4.63 4.67 1nu7H1 HIS 143 HB2 -0.13 0.07 0.21 -0.04 3.26 3.37 1nu7H1 HIS 143 HB3 -0.11 -0.13 0.06 -0.04 3.20 2.98 1nu7H1 HIS 143 HD2 -0.10 -0.03 0.01 -0.04 6.97 6.81 1nu7H1 HIS 143 HE1 -0.11 0.00 0.02 -0.04 7.75 7.62 1nu7H1 HIS 144 H -0.36 0.25 0.06 -0.55 8.41 7.81 1nu7H1 HIS 144 HA 0.02 0.25 0.45 -0.75 4.63 4.60 1nu7H1 HIS 144 HB2 0.01 -0.03 0.09 -0.04 3.26 3.29 1nu7H1 HIS 144 HB3 0.02 -0.00 0.11 -0.04 3.20 3.28 1nu7H1 HIS 144 HD2 0.01 0.11 -0.06 -0.04 6.97 6.98 1nu7H1 HIS 144 HE1 -0.02 -0.03 0.04 -0.04 7.75 7.70 1nu7H1 ASP 145 H 0.06 0.12 -0.22 -0.55 8.40 7.81 1nu7H1 ASP 145 HA 0.01 0.09 0.55 -0.75 4.63 4.53 1nu7H1 ASP 145 HB2 -0.01 -0.09 0.06 -0.04 2.71 2.63 1nu7H1 ASP 145 HB3 0.03 0.06 0.06 -0.04 2.70 2.80 1nu7H1 LEU 146 H 0.04 0.46 -0.42 -0.55 8.37 7.91 1nu7H1 LEU 146 HA -0.03 0.03 0.78 -0.75 4.35 4.37 1nu7H1 LEU 146 HB2 0.05 0.26 0.06 -0.04 1.64 1.98 1nu7H1 LEU 146 HB3 0.15 -0.00 0.03 -0.04 1.64 1.78 1nu7H1 LEU 146 HG -0.07 -0.11 -0.12 -0.04 1.64 1.31 1nu7H1 LEU 146 HD13 -0.38 0.01 -0.05 -0.04 0.93 0.47 1nu7H1 LEU 146 HD23 -0.05 0.00 -0.08 -0.04 0.89 0.72 1nu7H1 LYS 147 H 0.07 0.15 -0.12 -0.55 8.42 7.97 1nu7H1 LYS 147 HA 0.12 0.06 0.42 -0.75 4.32 4.16 1nu7H1 LYS 147 HB2 0.13 0.06 0.20 -0.04 1.87 2.21 1nu7H1 LYS 147 HB3 0.06 -0.03 0.11 -0.04 1.79 1.88 1nu7H1 LYS 147 HG2 0.06 -0.07 0.02 -0.04 1.46 1.43 1nu7H1 LYS 147 HG3 0.06 0.10 -0.02 -0.04 1.46 1.56 1nu7H1 LYS 147 HD2 0.09 -0.01 0.03 -0.04 1.69 1.76 1nu7H1 LYS 147 HD3 0.11 0.15 -0.10 -0.04 1.68 1.80 1nu7H1 LYS 147 HE2 0.05 -0.02 0.00 -0.04 2.99 2.98 1nu7H1 LYS 147 HE3 0.05 -0.03 -0.02 -0.04 2.99 2.95 1nu7H1 PRO 148 HA 0.07 0.29 0.66 -0.51 4.44 4.95 1nu7H1 PRO 148 HB2 0.03 0.05 0.06 -0.04 2.28 2.38 1nu7H1 PRO 148 HB3 -0.06 -0.02 0.15 -0.04 2.02 2.05 1nu7H1 PRO 148 HG2 0.02 -0.02 0.11 -0.04 2.03 2.10 1nu7H1 PRO 148 HG3 -0.05 0.00 0.09 -0.04 2.03 2.03 1nu7H1 PRO 148 HD2 0.08 0.03 0.23 -0.04 3.68 3.97 1nu7H1 PRO 148 HD3 0.11 0.21 0.19 -0.04 3.65 4.12 1nu7H1 PHE 149 H 0.12 0.64 0.33 -0.55 8.34 8.88 1nu7H1 PHE 149 HA 0.05 0.03 0.51 -0.75 4.62 4.45 1nu7H1 PHE 149 HB2 0.05 0.02 0.01 -0.04 3.15 3.20 1nu7H1 PHE 149 HB3 0.04 -0.09 -0.02 -0.04 3.06 2.95 1nu7H1 PHE 149 HD2 0.05 0.11 -0.09 -0.04 7.28 7.31 1nu7H1 PHE 149 HE2 0.04 0.02 -0.13 -0.04 7.38 7.27 1nu7H1 PHE 149 HZ 0.04 -0.01 -0.18 -0.04 7.32 7.13 1nu7H1 THR 150 H 0.18 0.05 0.18 -0.55 8.28 8.14 1nu7H1 THR 150 HA 0.08 0.20 0.55 -0.75 4.39 4.46 1nu7H1 THR 150 HB 0.03 -0.04 0.18 -0.04 4.32 4.45 1nu7H1 THR 150 HG23 0.05 0.06 0.09 -0.04 1.22 1.38 1nu7H1 ASP 151 H 0.04 0.20 0.15 -0.55 8.40 8.24 1nu7H1 ASP 151 HA 0.04 0.15 0.35 -0.75 4.63 4.42 1nu7H1 ASP 151 HB2 0.02 -0.04 0.14 -0.04 2.71 2.78 1nu7H1 ASP 151 HB3 0.01 0.05 0.01 -0.04 2.70 2.73 1nu7H1 GLU 152 H 0.00 0.07 -0.17 -0.55 8.60 7.96 1nu7H1 GLU 152 HA -0.02 0.14 0.47 -0.75 4.29 4.13 1nu7H1 GLU 152 HB2 -0.01 0.03 0.08 -0.04 2.09 2.15 1nu7H1 GLU 152 HB3 -0.03 -0.03 0.04 -0.04 1.99 1.93 1nu7H1 GLU 152 HG2 -0.05 -0.01 -0.17 -0.04 2.34 2.08 1nu7H1 GLU 152 HG3 -0.02 0.03 0.03 -0.04 2.34 2.34 1nu7H1 MET 153 H -0.06 0.06 -0.17 -0.55 8.47 7.75 1nu7H1 MET 153 HA -0.25 0.08 0.48 -0.75 4.52 4.07 1nu7H1 MET 153 HB2 -0.16 -0.01 0.14 -0.04 2.15 2.08 1nu7H1 MET 153 HB3 -0.81 0.05 0.05 -0.04 2.03 1.28 1nu7H1 MET 153 HG2 -0.06 -0.09 0.06 -0.04 2.63 2.50 1nu7H1 MET 153 HG3 -0.01 0.04 0.07 -0.04 2.56 2.63 1nu7H1 MET 153 HE3 -0.03 0.02 0.01 -0.04 2.10 2.06 1nu7H1 GLU 154 H -0.06 0.50 -0.32 -0.55 8.60 8.18 1nu7H1 GLU 154 HA -0.02 0.12 0.44 -0.75 4.29 4.08 1nu7H1 GLU 154 HB2 0.22 0.03 0.01 -0.04 2.09 2.31 1nu7H1 GLU 154 HB3 0.06 0.07 0.07 -0.04 1.99 2.15 1nu7H1 GLU 154 HG2 0.06 -0.02 -0.27 -0.04 2.34 2.08 1nu7H1 GLU 154 HG3 0.16 0.13 -0.03 -0.04 2.34 2.55 1nu7H1 GLU 155 H -0.04 0.45 -0.17 -0.55 8.60 8.29 1nu7H1 GLU 155 HA -0.01 0.03 0.42 -0.75 4.29 3.99 1nu7H1 GLU 155 HB2 -0.01 0.06 0.15 -0.04 2.09 2.25 1nu7H1 GLU 155 HB3 -0.03 0.07 0.17 -0.04 1.99 2.16 1nu7H1 GLU 155 HG2 -0.01 -0.02 -0.11 -0.04 2.34 2.15 1nu7H1 GLU 155 HG3 -0.00 -0.01 0.05 -0.04 2.34 2.34 1nu7H1 LYS 156 H -0.10 0.47 -0.18 -0.55 8.42 8.05 1nu7H1 LYS 156 HA -0.04 0.05 0.49 -0.75 4.32 4.06 1nu7H1 LYS 156 HB2 -0.15 0.07 0.17 -0.04 1.87 1.92 1nu7H1 LYS 156 HB3 -0.08 -0.02 -0.00 -0.04 1.79 1.64 1nu7H1 LYS 156 HG2 -0.04 -0.02 0.03 -0.04 1.46 1.39 1nu7H1 LYS 156 HG3 -0.06 0.06 0.04 -0.04 1.46 1.46 1nu7H1 LYS 156 HD2 -0.08 -0.04 -0.04 -0.04 1.69 1.49 1nu7H1 LYS 156 HD3 -0.05 0.00 -0.01 -0.04 1.68 1.58 1nu7H1 LYS 156 HE2 -0.03 0.01 -0.01 -0.04 2.99 2.92 1nu7H1 LYS 156 HE3 -0.04 -0.02 -0.04 -0.04 2.99 2.86 1nu7H1 ALA 157 H -0.18 0.56 -0.09 -0.55 8.40 8.15 1nu7H1 ALA 157 HA -0.02 0.02 0.49 -0.75 4.34 4.07 1nu7H1 ALA 157 HB3 -0.03 0.02 0.12 -0.04 1.41 1.49 1nu7H1 THR 158 H 0.00 0.78 -0.02 -0.55 8.28 8.50 1nu7H1 THR 158 HA 0.04 0.00 0.44 -0.75 4.39 4.12 1nu7H1 THR 158 HB 0.02 0.10 0.16 -0.04 4.32 4.55 1nu7H1 THR 158 HG23 0.02 -0.01 -0.01 -0.04 1.22 1.18 1nu7H1 ALA 159 H -0.00 0.40 -0.41 -0.55 8.40 7.85 1nu7H1 ALA 159 HA 0.02 0.01 0.44 -0.75 4.34 4.06 1nu7H1 ALA 159 HB3 0.00 0.03 0.11 -0.04 1.41 1.52 1nu7H1 ARG 160 H 0.01 0.45 -0.10 -0.55 8.46 8.26 1nu7H1 ARG 160 HA 0.02 0.02 0.48 -0.75 4.34 4.11 1nu7H1 ARG 160 HB2 0.03 0.13 0.19 -0.04 1.90 2.21 1nu7H1 ARG 160 HB3 0.02 -0.04 0.06 -0.04 1.80 1.81 1nu7H1 ARG 160 HG2 0.01 -0.05 0.07 -0.04 1.67 1.65 1nu7H1 ARG 160 HG3 -0.00 0.29 0.15 -0.04 1.67 2.06 1nu7H1 ARG 160 HD2 0.00 -0.03 0.00 -0.04 3.22 3.15 1nu7H1 ARG 160 HD3 0.01 -0.02 0.03 -0.04 3.22 3.20 1nu7H1 VAL 161 H 0.03 0.51 -0.18 -0.55 8.24 8.05 1nu7H1 VAL 161 HA 0.03 0.02 0.41 -0.75 4.13 3.84 1nu7H1 VAL 161 HB 0.04 0.10 0.18 -0.04 2.12 2.39 1nu7H1 VAL 161 HG13 0.03 0.00 -0.18 -0.04 0.97 0.79 1nu7H1 VAL 161 HG23 0.06 -0.00 0.01 -0.04 0.95 0.97 1nu7H1 ASP 162 H 0.04 0.62 -0.05 -0.55 8.40 8.46 1nu7H1 ASP 162 HA 0.07 0.04 0.47 -0.75 4.63 4.46 1nu7H1 ASP 162 HB2 0.05 0.05 0.17 -0.04 2.71 2.93 1nu7H1 ASP 162 HB3 0.07 -0.07 0.05 -0.04 2.70 2.71 1nu7H1 ASP 163 H 0.04 0.62 -0.17 -0.55 8.40 8.34 1nu7H1 ASP 163 HA 0.07 -0.00 0.41 -0.75 4.63 4.35 1nu7H1 ASP 163 HB2 0.04 0.07 0.16 -0.04 2.71 2.93 1nu7H1 ASP 163 HB3 0.03 0.12 0.18 -0.04 2.70 2.99 1nu7H1 LEU 164 H 0.03 0.58 -0.11 -0.55 8.37 8.33 1nu7H1 LEU 164 HA 0.02 0.01 0.41 -0.75 4.35 4.04 1nu7H1 LEU 164 HB2 0.02 0.17 0.20 -0.04 1.64 1.99 1nu7H1 LEU 164 HB3 0.01 0.07 0.09 -0.04 1.64 1.77 1nu7H1 LEU 164 HG 0.02 -0.00 0.05 -0.04 1.64 1.66 1nu7H1 LEU 164 HD13 0.02 -0.02 0.02 -0.04 0.93 0.91 1nu7H1 LEU 164 HD23 0.00 -0.02 0.01 -0.04 0.89 0.84 1nu7H1 ALA 165 H 0.02 0.56 -0.20 -0.55 8.40 8.24 1nu7H1 ALA 165 HA -0.14 0.01 0.41 -0.75 4.34 3.87 1nu7H1 ALA 165 HB3 -0.02 0.04 0.11 -0.04 1.41 1.49 1nu7H1 ASN 166 H 0.11 0.52 -0.27 -0.55 8.53 8.34 1nu7H1 ASN 166 HA 0.47 0.00 0.58 -0.75 4.76 5.06 1nu7H1 ASN 166 HB2 0.16 0.13 0.22 -0.04 2.88 3.35 1nu7H1 ASN 166 HB3 0.28 -0.06 0.14 -0.04 2.79 3.11 1nu7H1 ASN 166 HD21 0.15 -0.11 -0.04 -0.04 7.03 6.99 1nu7H1 ASN 166 HD22 0.13 -0.03 -0.10 -0.04 7.74 7.69 1nu7H1 LYS 167 H 0.06 0.54 -0.16 -0.55 8.42 8.31 1nu7H1 LYS 167 HA 0.08 0.08 0.39 -0.75 4.32 4.12 1nu7H1 LYS 167 HB2 0.02 0.19 0.14 -0.04 1.87 2.18 1nu7H1 LYS 167 HB3 0.02 -0.04 -0.04 -0.04 1.79 1.69 1nu7H1 LYS 167 HG2 0.05 -0.04 -0.20 -0.04 1.46 1.23 1nu7H1 LYS 167 HG3 0.05 0.19 0.05 -0.04 1.46 1.71 1nu7H1 LYS 167 HD2 0.02 0.00 0.01 -0.04 1.69 1.67 1nu7H1 LYS 167 HD3 0.01 -0.02 0.01 -0.04 1.68 1.64 1nu7H1 LYS 167 HE2 0.03 -0.03 -0.05 -0.04 2.99 2.89 1nu7H1 LYS 167 HE3 0.02 -0.01 0.02 -0.04 2.99 2.98 1nu7H1 ALA 168 H -0.06 0.43 -0.19 -0.55 8.40 8.03 1nu7H1 ALA 168 HA -0.10 0.03 0.42 -0.75 4.34 3.94 1nu7H1 ALA 168 HB3 -0.24 0.07 0.11 -0.04 1.41 1.31 1nu7H1 TYR 169 H -0.05 0.41 -0.23 -0.55 8.29 7.87 1nu7H1 TYR 169 HA -0.12 0.02 0.38 -0.75 4.56 4.09 1nu7H1 TYR 169 HB2 0.11 0.08 0.18 -0.04 3.06 3.39 1nu7H1 TYR 169 HB3 -0.17 -0.09 0.02 -0.04 2.98 2.70 1nu7H1 TYR 169 HD2 -0.11 -0.05 -0.05 -0.04 7.15 6.90 1nu7H1 TYR 169 HE2 -0.11 0.00 -0.05 -0.04 6.85 6.65 1nu7H1 SER 170 H 0.17 0.38 -0.35 -0.55 8.46 8.11 1nu7H1 SER 170 HA 0.24 -0.03 0.44 -0.75 4.49 4.38 1nu7H1 SER 170 HB2 0.08 0.19 0.19 -0.04 3.95 4.36 1nu7H1 SER 170 HB3 0.04 -0.05 0.01 -0.04 3.93 3.89 1nu7H1 VAL 171 H -0.00 0.52 -0.10 -0.55 8.24 8.11 1nu7H1 VAL 171 HA 0.04 0.03 0.34 -0.75 4.13 3.78 1nu7H1 VAL 171 HB -0.25 0.12 0.17 -0.04 2.12 2.12 1nu7H1 VAL 171 HG13 -0.84 -0.01 -0.13 -0.04 0.97 -0.05 1nu7H1 VAL 171 HG23 0.08 0.05 0.03 -0.04 0.95 1.07 1nu7H1 TYR 172 H -0.06 0.57 -0.20 -0.55 8.29 8.05 1nu7H1 TYR 172 HA -0.24 -0.00 0.34 -0.75 4.56 3.90 1nu7H1 TYR 172 HB2 -0.23 -0.00 0.08 -0.04 3.06 2.86 1nu7H1 TYR 172 HB3 -0.26 0.09 0.16 -0.04 2.98 2.92 1nu7H1 TYR 172 HD2 -0.58 0.05 -0.10 -0.04 7.15 6.49 1nu7H1 TYR 172 HE2 -0.50 -0.04 -0.07 -0.04 6.85 6.20 1nu7H1 PHE 173 H -0.15 0.63 -0.14 -0.55 8.34 8.13 1nu7H1 PHE 173 HA -0.60 -0.03 0.51 -0.75 4.62 3.75 1nu7H1 PHE 173 HB2 -0.16 0.11 0.17 -0.04 3.15 3.24 1nu7H1 PHE 173 HB3 -0.22 -0.06 0.03 -0.04 3.06 2.76 1nu7H1 PHE 173 HD2 -0.17 -0.00 -0.05 -0.04 7.28 7.02 1nu7H1 PHE 173 HE2 -0.83 -0.05 -0.04 -0.04 7.38 6.42 1nu7H1 PHE 173 HZ -0.25 -0.05 -0.02 -0.04 7.32 6.96 1nu7H1 ALA 174 H -0.09 0.70 -0.18 -0.55 8.40 8.29 1nu7H1 ALA 174 HA -0.31 -0.03 0.53 -0.75 4.34 3.78 1nu7H1 ALA 174 HB3 -0.29 0.01 0.13 -0.04 1.41 1.22 1nu7H1 PHE 175 H -0.06 0.34 -0.45 -0.55 8.34 7.62 1nu7H1 PHE 175 HA 0.03 0.14 0.97 -0.75 4.62 5.01 1nu7H1 PHE 175 HB2 0.01 0.12 -0.01 -0.04 3.15 3.22 1nu7H1 PHE 175 HB3 0.20 -0.08 0.06 -0.04 3.06 3.20 1nu7H1 PHE 175 HD2 0.01 0.06 -0.02 -0.04 7.28 7.30 1nu7H1 PHE 175 HE2 0.06 -0.02 -0.04 -0.04 7.38 7.33 1nu7H1 PHE 175 HZ 0.06 0.01 0.01 -0.04 7.32 7.37 1nu7H1 VAL 176 H -0.12 0.34 0.03 -0.55 8.24 7.94 1nu7H1 VAL 176 HA 0.06 0.07 0.44 -0.75 4.13 3.94 1nu7H1 VAL 176 HB -0.56 0.24 0.13 -0.04 2.12 1.88 1nu7H1 VAL 176 HG13 -0.12 0.02 -0.05 -0.04 0.97 0.78 1nu7H1 VAL 176 HG23 0.07 -0.03 0.05 -0.04 0.95 1.00 1nu7H1 ARG 177 H -0.01 0.16 -0.35 -0.55 8.46 7.70 1nu7H1 ARG 177 HA 0.02 0.21 0.84 -0.75 4.34 4.66 1nu7H1 ARG 177 HB2 -0.01 0.04 -0.03 -0.04 1.90 1.87 1nu7H1 ARG 177 HB3 0.01 -0.02 0.13 -0.04 1.80 1.88 1nu7H1 ARG 177 HG2 0.02 -0.01 -0.01 -0.04 1.67 1.64 1nu7H1 ARG 177 HG3 0.01 -0.01 -0.21 -0.04 1.67 1.42 1nu7H1 ARG 177 HD2 0.11 0.02 -0.02 -0.04 3.22 3.29 1nu7H1 ARG 177 HD3 0.01 0.05 -0.02 -0.04 3.22 3.22 1nu7H1 ASP 178 H 0.08 0.34 -0.49 -0.55 8.40 7.78 1nu7H1 ASP 178 HA 0.06 0.09 0.66 -0.75 4.63 4.68 1nu7H1 ASP 178 HB2 0.11 0.09 0.09 -0.04 2.71 2.95 1nu7H1 ASP 178 HB3 0.32 0.20 0.23 -0.04 2.70 3.41 1nu7H1 THR 179 H 0.02 0.29 0.13 -0.55 8.28 8.17 1nu7H1 THR 179 HA 0.02 0.05 0.24 -0.75 4.39 3.94 1nu7H1 THR 179 HB -0.01 0.02 0.04 -0.04 4.32 4.33 1nu7H1 THR 179 HG23 0.01 0.03 0.08 -0.04 1.22 1.29 1nu7H1 GLN 180 H -0.06 0.05 -0.31 -0.55 8.47 7.59 1nu7H1 GLN 180 HA -0.14 0.10 0.50 -0.75 4.36 4.06 1nu7H1 GLN 180 HB2 -0.18 -0.03 0.09 -0.04 2.15 1.99 1nu7H1 GLN 180 HB3 -0.40 -0.02 0.06 -0.04 2.02 1.62 1nu7H1 GLN 180 HG2 -1.26 0.06 -0.16 -0.04 2.40 0.99 1nu7H1 GLN 180 HG3 -0.32 -0.00 0.12 -0.04 2.39 2.15 1nu7H1 GLN 180 HE21 -0.02 -0.01 0.01 -0.04 6.97 6.91 1nu7H1 GLN 180 HE22 -0.06 0.10 0.01 -0.04 7.69 7.70 1nu7H1 HIS 181 H 0.01 0.40 -0.07 -0.55 8.41 8.21 1nu7H1 HIS 181 HA -0.04 0.21 1.00 -0.75 4.63 5.04 1nu7H1 HIS 181 HB2 0.19 0.07 0.09 -0.04 3.26 3.56 1nu7H1 HIS 181 HB3 -0.12 -0.04 0.14 -0.04 3.20 3.13 1nu7H1 HIS 181 HD2 0.22 -0.02 -0.00 -0.04 6.97 7.12 1nu7H1 HIS 181 HE1 -0.10 0.23 0.03 -0.04 7.75 7.87 1nu7H1 LYS 182 H 0.07 0.32 -0.17 -0.55 8.42 8.08 1nu7H1 LYS 182 HA 0.14 0.15 0.33 -0.75 4.32 4.19 1nu7H1 LYS 182 HB2 0.06 0.06 -0.12 -0.04 1.87 1.83 1nu7H1 LYS 182 HB3 0.05 -0.04 0.07 -0.04 1.79 1.82 1nu7H1 LYS 182 HG2 0.07 -0.10 -0.20 -0.04 1.46 1.19 1nu7H1 LYS 182 HG3 0.07 0.13 0.09 -0.04 1.46 1.71 1nu7H1 LYS 182 HD2 0.03 0.02 -0.04 -0.04 1.69 1.67 1nu7H1 LYS 182 HD3 0.03 -0.04 -0.03 -0.04 1.68 1.60 1nu7H1 LYS 182 HE2 0.04 -0.07 -0.02 -0.04 2.99 2.91 1nu7H1 LYS 182 HE3 0.04 0.09 0.05 -0.04 2.99 3.13 1nu7H1 THR 183 H 0.05 0.22 -0.11 -0.55 8.28 7.89 1nu7H1 THR 183 HA 0.05 0.04 0.36 -0.75 4.39 4.08 1nu7H1 THR 183 HB 0.02 0.05 0.05 -0.04 4.32 4.39 1nu7H1 THR 183 HG23 0.02 0.00 -0.07 -0.04 1.22 1.13 1nu7H1 GLU 184 H 0.06 0.19 -0.27 -0.55 8.60 8.03 1nu7H1 GLU 184 HA 0.05 0.02 0.34 -0.75 4.29 3.95 1nu7H1 GLU 184 HB2 -0.06 0.15 0.06 -0.04 2.09 2.20 1nu7H1 GLU 184 HB3 -0.16 0.00 0.03 -0.04 1.99 1.83 1nu7H1 GLU 184 HG2 -0.23 0.08 -0.13 -0.04 2.34 2.01 1nu7H1 GLU 184 HG3 -0.08 -0.03 -0.03 -0.04 2.34 2.16 1nu7H1 ALA 185 H 0.22 0.43 -0.41 -0.55 8.40 8.09 1nu7H1 ALA 185 HA 0.16 0.03 0.49 -0.75 4.34 4.26 1nu7H1 ALA 185 HB3 0.23 0.06 -0.00 -0.04 1.41 1.66 1nu7H1 LEU 186 H 0.14 0.75 0.11 -0.55 8.37 8.83 1nu7H1 LEU 186 HA 0.07 -0.02 0.42 -0.75 4.35 4.07 1nu7H1 LEU 186 HB2 0.06 0.12 0.17 -0.04 1.64 1.94 1nu7H1 LEU 186 HB3 0.03 -0.06 0.02 -0.04 1.64 1.59 1nu7H1 LEU 186 HG 0.13 0.14 0.06 -0.04 1.64 1.92 1nu7H1 LEU 186 HD13 0.05 -0.02 -0.05 -0.04 0.93 0.87 1nu7H1 LEU 186 HD23 0.14 -0.02 0.03 -0.04 0.89 1.00 1nu7H1 GLU 187 H 0.06 0.57 -0.27 -0.55 8.60 8.41 1nu7H1 GLU 187 HA -0.01 0.01 0.48 -0.75 4.29 4.01 1nu7H1 GLU 187 HB2 0.04 0.10 0.06 -0.04 2.09 2.25 1nu7H1 GLU 187 HB3 0.02 -0.04 -0.01 -0.04 1.99 1.91 1nu7H1 GLU 187 HG2 0.01 -0.06 -0.02 -0.04 2.34 2.23 1nu7H1 GLU 187 HG3 0.03 0.28 0.04 -0.04 2.34 2.65 1nu7H1 LEU 188 H 0.04 0.48 -0.21 -0.55 8.37 8.14 1nu7H1 LEU 188 HA -0.03 0.02 0.41 -0.75 4.35 3.99 1nu7H1 LEU 188 HB2 -0.00 0.09 0.20 -0.04 1.64 1.88 1nu7H1 LEU 188 HB3 -0.06 0.20 0.27 -0.04 1.64 2.01 1nu7H1 LEU 188 HG -0.19 -0.06 -0.32 -0.04 1.64 1.03 1nu7H1 LEU 188 HD13 -0.11 -0.02 -0.03 -0.04 0.93 0.74 1nu7H1 LEU 188 HD23 -0.47 0.00 0.01 -0.04 0.89 0.39 1nu7H1 LYS 189 H -0.19 0.59 -0.15 -0.55 8.42 8.11 1nu7H1 LYS 189 HA -0.28 0.02 0.38 -0.75 4.32 3.68 1nu7H1 LYS 189 HB2 -1.42 0.04 0.09 -0.04 1.87 0.54 1nu7H1 LYS 189 HB3 -0.56 0.10 0.13 -0.04 1.79 1.42 1nu7H1 LYS 189 HG2 -0.19 -0.06 -0.02 -0.04 1.46 1.15 1nu7H1 LYS 189 HG3 -0.89 -0.03 0.01 -0.04 1.46 0.51 1nu7H1 LYS 189 HD2 -0.70 0.00 -0.02 -0.04 1.69 0.92 1nu7H1 LYS 189 HD3 -0.31 0.04 -0.10 -0.04 1.68 1.26 1nu7H1 LYS 189 HE2 -0.17 -0.02 -0.05 -0.04 2.99 2.70 1nu7H1 LYS 189 HE3 -0.27 -0.03 -0.03 -0.04 2.99 2.62 1nu7H1 ALA 190 H -0.13 0.59 -0.07 -0.55 8.40 8.24 1nu7H1 ALA 190 HA -0.07 -0.03 0.38 -0.75 4.34 3.86 1nu7H1 ALA 190 HB3 -0.04 0.02 0.12 -0.04 1.41 1.47 1nu7H1 LYS 191 H -0.06 0.72 -0.24 -0.55 8.42 8.30 1nu7H1 LYS 191 HA -0.01 -0.01 0.46 -0.75 4.32 4.01 1nu7H1 LYS 191 HB2 -0.03 0.13 0.14 -0.04 1.87 2.07 1nu7H1 LYS 191 HB3 -0.01 -0.07 0.01 -0.04 1.79 1.68 1nu7H1 LYS 191 HG2 0.00 -0.08 0.00 -0.04 1.46 1.35 1nu7H1 LYS 191 HG3 -0.00 0.18 0.01 -0.04 1.46 1.60 1nu7H1 LYS 191 HD2 0.02 -0.02 -0.01 -0.04 1.69 1.64 1nu7H1 LYS 191 HD3 0.02 -0.04 -0.02 -0.04 1.68 1.59 1nu7H1 LYS 191 HE2 0.03 -0.04 -0.09 -0.04 2.99 2.84 1nu7H1 LYS 191 HE3 0.02 0.06 -0.11 -0.04 2.99 2.91 1nu7H1 VAL 192 H -0.11 0.62 -0.08 -0.55 8.24 8.12 1nu7H1 VAL 192 HA -0.09 -0.00 0.51 -0.75 4.13 3.79 1nu7H1 VAL 192 HB -0.31 0.09 0.20 -0.04 2.12 2.05 1nu7H1 VAL 192 HG13 -0.50 -0.02 -0.04 -0.04 0.97 0.38 1nu7H1 VAL 192 HG23 -0.25 0.04 0.05 -0.04 0.95 0.75 1nu7H1 ASP 193 H -0.03 0.67 -0.08 -0.55 8.40 8.41 1nu7H1 ASP 193 HA 0.06 0.01 0.36 -0.75 4.63 4.30 1nu7H1 ASP 193 HB2 -0.01 0.12 0.12 -0.04 2.71 2.89 1nu7H1 ASP 193 HB3 0.00 -0.07 -0.03 -0.04 2.70 2.57 1nu7H1 LEU 194 H -0.00 0.50 -0.21 -0.55 8.37 8.11 1nu7H1 LEU 194 HA 0.03 -0.04 0.38 -0.75 4.35 3.97 1nu7H1 LEU 194 HB2 0.01 0.07 0.15 -0.04 1.64 1.82 1nu7H1 LEU 194 HB3 0.02 0.10 0.21 -0.04 1.64 1.93 1nu7H1 LEU 194 HG 0.02 -0.04 -0.00 -0.04 1.64 1.58 1nu7H1 LEU 194 HD13 0.05 0.00 -0.19 -0.04 0.93 0.75 1nu7H1 LEU 194 HD23 0.05 -0.02 0.02 -0.04 0.89 0.90 1nu7H1 VAL 195 H 0.02 0.51 -0.08 -0.55 8.24 8.14 1nu7H1 VAL 195 HA 0.11 0.05 0.36 -0.75 4.13 3.89 1nu7H1 VAL 195 HB 0.06 -0.06 0.08 -0.04 2.12 2.16 1nu7H1 VAL 195 HG13 0.04 0.01 0.03 -0.04 0.97 1.00 1nu7H1 VAL 195 HG23 0.01 0.04 0.04 -0.04 0.95 1.00 1nu7H1 LEU 196 H 0.02 0.37 -0.31 -0.55 8.37 7.91 1nu7H1 LEU 196 HA -0.00 0.00 0.53 -0.75 4.35 4.12 1nu7H1 LEU 196 HB2 0.02 0.20 0.17 -0.04 1.64 1.99 1nu7H1 LEU 196 HB3 -0.02 0.03 -0.07 -0.04 1.64 1.55 1nu7H1 LEU 196 HG 0.03 -0.07 -0.00 -0.04 1.64 1.56 1nu7H1 LEU 196 HD13 0.01 -0.00 -0.03 -0.04 0.93 0.86 1nu7H1 LEU 196 HD23 0.08 0.01 -0.06 -0.04 0.89 0.88 1nu7H1 GLY 197 H -0.04 0.48 -0.09 -0.55 8.43 8.23 1nu7H1 GLY 197 HA2 -0.22 0.04 0.31 -0.51 4.01 3.63 1nu7H1 GLY 197 HA3 -0.82 0.02 0.80 -0.51 4.01 3.50 1nu7H1 ASP 198 H -0.17 0.14 0.06 -0.55 8.40 7.88 1nu7H1 ASP 198 HA -0.05 0.05 0.40 -0.75 4.63 4.27 1nu7H1 ASP 198 HB2 -0.06 0.08 -0.01 -0.04 2.71 2.68 1nu7H1 ASP 198 HB3 -0.03 -0.11 -0.02 -0.04 2.70 2.50 1nu7H1 GLU 199 H -0.03 0.11 0.14 -0.55 8.60 8.27 1nu7H1 GLU 199 HA -0.02 0.17 0.31 -0.75 4.29 4.00 1nu7H1 GLU 199 HB2 -0.01 -0.06 0.13 -0.04 2.09 2.11 1nu7H1 GLU 199 HB3 -0.00 0.01 -0.02 -0.04 1.99 1.93 1nu7H1 GLU 199 HG2 0.01 0.05 0.03 -0.04 2.34 2.39 1nu7H1 GLU 199 HG3 -0.01 0.04 0.05 -0.04 2.34 2.39 1nu7H1 ASP 200 H -0.02 0.01 -0.24 -0.55 8.40 7.60 1nu7H1 ASP 200 HA -0.01 0.13 0.48 -0.75 4.63 4.48 1nu7H1 ASP 200 HB2 -0.01 0.02 0.09 -0.04 2.71 2.78 1nu7H1 ASP 200 HB3 -0.01 -0.04 0.04 -0.04 2.70 2.65 1nu7H1 LYS 201 H -0.05 0.33 -0.73 -0.55 8.42 7.42 1nu7H1 LYS 201 HA -0.03 0.08 0.43 -0.75 4.32 4.05 1nu7H1 LYS 201 HB2 -0.02 -0.01 0.12 -0.04 1.87 1.92 1nu7H1 LYS 201 HB3 -0.01 0.09 -0.03 -0.04 1.79 1.79 1nu7H1 LYS 201 HG2 -0.03 -0.16 -0.28 -0.04 1.46 0.95 1nu7H1 LYS 201 HG3 -0.05 -0.01 0.05 -0.04 1.46 1.40 1nu7H1 LYS 201 HD2 0.00 0.02 -0.00 -0.04 1.69 1.67 1nu7H1 LYS 201 HD3 -0.00 0.01 -0.07 -0.04 1.68 1.58 1nu7H1 LYS 201 HE2 -0.01 -0.04 -0.05 -0.04 2.99 2.85 1nu7H1 LYS 201 HE3 -0.01 -0.02 -0.01 -0.04 2.99 2.91 1nu7H1 PRO 202 HA -0.29 0.01 0.42 -0.51 4.44 4.07 1nu7H1 PRO 202 HB2 -0.10 0.12 -0.02 -0.04 2.28 2.24 1nu7H1 PRO 202 HB3 -0.08 0.02 -0.08 -0.04 2.02 1.84 1nu7H1 PRO 202 HG2 -0.04 -0.07 -0.12 -0.04 2.03 1.76 1nu7H1 PRO 202 HG3 -0.03 -0.02 -0.02 -0.04 2.03 1.92 1nu7H1 PRO 202 HD2 -0.03 0.02 -0.05 -0.04 3.68 3.57 1nu7H1 PRO 202 HD3 -0.04 0.34 -0.09 -0.04 3.65 3.82 1nu7H1 HIS 203 H -0.56 0.66 0.35 -0.55 8.41 8.31 1nu7H1 HIS 203 HA -0.24 -0.06 0.57 -0.75 4.63 4.15 1nu7H1 HIS 203 HB2 -0.57 0.09 0.14 -0.04 3.26 2.88 1nu7H1 HIS 203 HB3 -1.57 -0.07 0.05 -0.04 3.20 1.56 1nu7H1 HIS 203 HD2 -0.21 0.36 -0.24 -0.04 6.97 6.83 1nu7H1 HIS 203 HE1 0.04 -0.04 0.05 -0.04 7.75 7.75 1nu7H1 ARG 204 H 0.02 0.04 0.20 -0.55 8.46 8.16 1nu7H1 ARG 204 HA 0.02 0.11 0.46 -0.75 4.34 4.18 1nu7H1 ARG 204 HB2 0.09 -0.08 0.10 -0.04 1.90 1.97 1nu7H1 ARG 204 HB3 0.08 -0.02 -0.05 -0.04 1.80 1.77 1nu7H1 ARG 204 HG2 0.03 0.04 -0.03 -0.04 1.67 1.67 1nu7H1 ARG 204 HG3 0.02 0.12 0.07 -0.04 1.67 1.85 1nu7H1 ARG 204 HD2 0.02 0.04 0.00 -0.04 3.22 3.24 1nu7H1 ARG 204 HD3 0.04 -0.04 0.03 -0.04 3.22 3.21 1nu7H1 ILE 205 H 0.08 0.20 0.06 -0.55 8.25 8.05 1nu7H1 ILE 205 HA 0.12 0.09 0.55 -0.75 4.18 4.19 1nu7H1 ILE 205 HB 0.13 -0.01 0.18 -0.04 1.89 2.14 1nu7H1 ILE 205 HG12 0.05 0.03 0.07 -0.04 1.49 1.61 1nu7H1 ILE 205 HG13 0.06 -0.01 -0.01 -0.04 1.21 1.20 1nu7H1 ILE 205 HG23 0.19 0.01 -0.13 -0.04 0.93 0.95 1nu7H1 ILE 205 HD13 0.04 0.04 -0.20 -0.04 0.88 0.72 1nu7H1 SER 206 H 0.14 0.38 -0.22 -0.55 8.46 8.22 1nu7H1 SER 206 HA 0.26 0.16 0.58 -0.75 4.49 4.73 1nu7H1 SER 206 HB2 0.23 0.02 0.12 -0.04 3.95 4.28 1nu7H1 SER 206 HB3 0.17 -0.01 -0.02 -0.04 3.93 4.02 1nu7H1 ASN 207 H -0.10 0.14 -0.10 -0.55 8.53 7.92 1nu7H1 ASN 207 HA -1.34 0.18 0.54 -0.75 4.76 3.38 1nu7H1 ASN 207 HB2 -0.26 0.08 -0.12 -0.04 2.88 2.53 1nu7H1 ASN 207 HB3 -0.08 0.22 -0.44 -0.04 2.79 2.45 1nu7H1 ASN 207 HD21 -0.53 0.01 0.01 -0.04 7.03 6.48 1nu7H1 ASN 207 HD22 -0.48 0.28 -0.12 -0.04 7.74 7.38 1nu7H1 GLU 208 H -0.50 0.34 0.14 -0.55 8.60 8.03 1nu7H1 GLU 208 HA 0.10 0.04 0.40 -0.75 4.29 4.07 1nu7H1 GLU 208 HB2 -0.04 0.02 0.24 -0.04 2.09 2.26 1nu7H1 GLU 208 HB3 0.04 -0.00 0.04 -0.04 1.99 2.03 1nu7H1 GLU 208 HG2 0.23 -0.01 0.06 -0.04 2.34 2.59 1nu7H1 GLU 208 HG3 0.11 0.00 0.07 -0.04 2.34 2.49 1nu7H1 ARG 209 H -0.11 0.63 -0.01 -0.55 8.46 8.42 1nu7H1 ARG 209 HA -0.01 0.07 0.48 -0.75 4.34 4.12 1nu7H1 ARG 209 HB2 -0.05 -0.01 -0.00 -0.04 1.90 1.79 1nu7H1 ARG 209 HB3 -0.08 0.02 0.04 -0.04 1.80 1.74 1nu7H1 ARG 209 HG2 -0.06 0.04 -0.13 -0.04 1.67 1.47 1nu7H1 ARG 209 HG3 -0.03 -0.05 -0.04 -0.04 1.67 1.51 1nu7H1 ARG 209 HD2 -0.04 0.02 -0.01 -0.04 3.22 3.15 1nu7H1 ARG 209 HD3 -0.05 -0.03 -0.04 -0.04 3.22 3.06 1nu7H1 ILE 210 H -0.07 0.14 -0.15 -0.55 8.25 7.62 1nu7H1 ILE 210 HA 0.04 0.10 0.46 -0.75 4.18 4.02 1nu7H1 ILE 210 HB 0.04 -0.12 0.13 -0.04 1.89 1.90 1nu7H1 ILE 210 HG12 0.01 0.07 -0.01 -0.04 1.49 1.52 1nu7H1 ILE 210 HG13 -0.10 -0.08 0.03 -0.04 1.21 1.02 1nu7H1 ILE 210 HG23 0.19 0.07 -0.01 -0.04 0.93 1.13 1nu7H1 ILE 210 HD13 -0.02 0.03 0.02 -0.04 0.88 0.87 1nu7H1 GLU 211 H 0.08 0.41 -0.21 -0.55 8.60 8.33 1nu7H1 GLU 211 HA 0.12 0.05 0.33 -0.75 4.29 4.04 1nu7H1 GLU 211 HB2 0.32 0.02 0.07 -0.04 2.09 2.46 1nu7H1 GLU 211 HB3 0.19 0.08 0.14 -0.04 1.99 2.36 1nu7H1 GLU 211 HG2 0.10 0.00 -0.21 -0.04 2.34 2.19 1nu7H1 GLU 211 HG3 0.11 0.02 0.05 -0.04 2.34 2.48 1nu7H1 LYS 212 H 0.07 0.55 -0.06 -0.55 8.42 8.42 1nu7H1 LYS 212 HA 0.05 0.02 0.47 -0.75 4.32 4.11 1nu7H1 LYS 212 HB2 0.05 0.02 0.18 -0.04 1.87 2.08 1nu7H1 LYS 212 HB3 0.03 0.07 0.21 -0.04 1.79 2.06 1nu7H1 LYS 212 HG2 0.03 0.00 -0.15 -0.04 1.46 1.29 1nu7H1 LYS 212 HG3 0.04 -0.02 0.08 -0.04 1.46 1.51 1nu7H1 LYS 212 HD2 0.04 -0.02 0.02 -0.04 1.69 1.69 1nu7H1 LYS 212 HD3 0.02 -0.02 0.01 -0.04 1.68 1.65 1nu7H1 LYS 212 HE2 0.02 0.01 -0.02 -0.04 2.99 2.96 1nu7H1 LYS 212 HE3 0.03 0.01 0.01 -0.04 2.99 2.99 1nu7H1 GLU 213 H 0.04 0.62 -0.10 -0.55 8.60 8.61 1nu7H1 GLU 213 HA 0.03 0.04 0.53 -0.75 4.29 4.14 1nu7H1 GLU 213 HB2 0.03 0.06 0.10 -0.04 2.09 2.24 1nu7H1 GLU 213 HB3 0.02 -0.02 0.04 -0.04 1.99 1.98 1nu7H1 GLU 213 HG2 0.00 0.15 0.09 -0.04 2.34 2.55 1nu7H1 GLU 213 HG3 -0.01 -0.04 0.00 -0.04 2.34 2.26 1nu7H1 MET 214 H 0.06 0.69 -0.07 -0.55 8.47 8.61 1nu7H1 MET 214 HA 0.06 0.05 0.49 -0.75 4.52 4.36 1nu7H1 MET 214 HB2 0.08 0.04 0.14 -0.04 2.15 2.36 1nu7H1 MET 214 HB3 0.06 0.03 0.15 -0.04 2.03 2.24 1nu7H1 MET 214 HG2 0.04 -0.01 -0.03 -0.04 2.63 2.59 1nu7H1 MET 214 HG3 0.04 -0.07 -0.12 -0.04 2.56 2.37 1nu7H1 MET 214 HE3 0.04 0.00 0.02 -0.04 2.10 2.12 1nu7H1 ILE 215 H 0.05 0.53 -0.16 -0.55 8.25 8.11 1nu7H1 ILE 215 HA 0.03 0.02 0.45 -0.75 4.18 3.93 1nu7H1 ILE 215 HB 0.04 0.14 0.20 -0.04 1.89 2.23 1nu7H1 ILE 215 HG12 0.05 0.11 0.12 -0.04 1.49 1.73 1nu7H1 ILE 215 HG13 0.05 -0.06 0.00 -0.04 1.21 1.16 1nu7H1 ILE 215 HG23 0.04 -0.02 -0.12 -0.04 0.93 0.79 1nu7H1 ILE 215 HD13 0.04 -0.03 -0.09 -0.04 0.88 0.75 1nu7H1 LYS 216 H 0.04 0.54 -0.03 -0.55 8.42 8.42 1nu7H1 LYS 216 HA 0.04 0.00 0.41 -0.75 4.32 4.02 1nu7H1 LYS 216 HB2 0.03 0.06 0.19 -0.04 1.87 2.12 1nu7H1 LYS 216 HB3 0.03 -0.04 0.02 -0.04 1.79 1.77 1nu7H1 LYS 216 HG2 0.04 -0.04 0.07 -0.04 1.46 1.49 1nu7H1 LYS 216 HG3 0.03 0.19 0.15 -0.04 1.46 1.79 1nu7H1 LYS 216 HD2 0.02 -0.02 0.00 -0.04 1.69 1.65 1nu7H1 LYS 216 HD3 0.02 0.01 0.02 -0.04 1.68 1.69 1nu7H1 LYS 216 HE2 0.03 0.01 0.01 -0.04 2.99 3.00 1nu7H1 LYS 216 HE3 0.03 -0.01 0.00 -0.04 2.99 2.97 1nu7H1 ASP 217 H 0.04 0.64 -0.28 -0.55 8.40 8.25 1nu7H1 ASP 217 HA 0.03 -0.02 0.41 -0.75 4.63 4.30 1nu7H1 ASP 217 HB2 0.04 0.11 0.24 -0.04 2.71 3.06 1nu7H1 ASP 217 HB3 0.03 -0.05 -0.01 -0.04 2.70 2.64 1nu7H1 LEU 218 H 0.03 0.74 -0.03 -0.55 8.37 8.56 1nu7H1 LEU 218 HA -0.01 -0.00 0.46 -0.75 4.35 4.05 1nu7H1 LEU 218 HB2 0.01 0.12 0.23 -0.04 1.64 1.97 1nu7H1 LEU 218 HB3 -0.02 -0.08 -0.02 -0.04 1.64 1.48 1nu7H1 LEU 218 HG 0.01 0.14 0.12 -0.04 1.64 1.86 1nu7H1 LEU 218 HD13 -0.00 -0.04 -0.01 -0.04 0.93 0.84 1nu7H1 LEU 218 HD23 -0.06 -0.02 0.05 -0.04 0.89 0.82 1nu7H1 GLU 219 H 0.03 0.74 -0.07 -0.55 8.60 8.76 1nu7H1 GLU 219 HA 0.04 0.00 0.46 -0.75 4.29 4.04 1nu7H1 GLU 219 HB2 0.04 -0.00 0.09 -0.04 2.09 2.18 1nu7H1 GLU 219 HB3 0.05 0.09 0.16 -0.04 1.99 2.25 1nu7H1 GLU 219 HG2 0.07 0.03 -0.01 -0.04 2.34 2.39 1nu7H1 GLU 219 HG3 0.10 -0.08 -0.15 -0.04 2.34 2.16 1nu7H1 SER 220 H 0.06 0.66 -0.19 -0.55 8.46 8.45 1nu7H1 SER 220 HA 0.16 -0.10 0.48 -0.75 4.49 4.28 1nu7H1 SER 220 HB2 0.08 -0.14 0.09 -0.04 3.95 3.94 1nu7H1 SER 220 HB3 0.06 0.21 0.17 -0.04 3.93 4.34 1nu7H1 ILE 221 H 0.05 0.60 -0.16 -0.55 8.25 8.20 1nu7H1 ILE 221 HA 0.07 -0.00 0.46 -0.75 4.18 3.95 1nu7H1 ILE 221 HB -0.00 0.15 0.19 -0.04 1.89 2.18 1nu7H1 ILE 221 HG12 0.03 -0.08 -0.00 -0.04 1.49 1.39 1nu7H1 ILE 221 HG13 0.03 0.22 0.07 -0.04 1.21 1.50 1nu7H1 ILE 221 HG23 -0.03 -0.03 -0.10 -0.04 0.93 0.73 1nu7H1 ILE 221 HD13 -0.00 -0.03 -0.17 -0.04 0.88 0.63 1nu7H1 ILE 222 H 0.05 0.49 -0.12 -0.55 8.25 8.12 1nu7H1 ILE 222 HA 0.01 0.03 0.47 -0.75 4.18 3.93 1nu7H1 ILE 222 HB 0.06 0.10 0.17 -0.04 1.89 2.18 1nu7H1 ILE 222 HG12 -0.05 -0.08 0.05 -0.04 1.49 1.37 1nu7H1 ILE 222 HG13 -0.02 0.22 0.09 -0.04 1.21 1.47 1nu7H1 ILE 222 HG23 0.16 -0.01 -0.12 -0.04 0.93 0.91 1nu7H1 ILE 222 HD13 -0.01 -0.00 -0.05 -0.04 0.88 0.78 1nu7H1 GLU 223 H 0.14 0.58 -0.10 -0.55 8.60 8.68 1nu7H1 GLU 223 HA 0.11 0.00 0.38 -0.75 4.29 4.03 1nu7H1 GLU 223 HB2 0.31 0.10 0.19 -0.04 2.09 2.64 1nu7H1 GLU 223 HB3 0.42 -0.05 0.05 -0.04 1.99 2.37 1nu7H1 GLU 223 HG2 0.20 -0.04 0.02 -0.04 2.34 2.48 1nu7H1 GLU 223 HG3 0.15 0.32 0.17 -0.04 2.34 2.94 1nu7H1 ASP 224 H 0.17 0.47 -0.31 -0.55 8.40 8.18 1nu7H1 ASP 224 HA 0.14 -0.02 0.32 -0.75 4.63 4.32 1nu7H1 ASP 224 HB2 0.10 0.21 0.13 -0.04 2.71 3.12 1nu7H1 ASP 224 HB3 0.10 -0.07 -0.04 -0.04 2.70 2.65 1nu7H1 PHE 225 H 0.12 0.43 -0.30 -0.55 8.34 8.03 1nu7H1 PHE 225 HA -0.17 -0.02 0.39 -0.75 4.62 4.07 1nu7H1 PHE 225 HB2 -0.22 -0.00 0.14 -0.04 3.15 3.03 1nu7H1 PHE 225 HB3 -0.41 0.25 0.19 -0.04 3.06 3.05 1nu7H1 PHE 225 HD2 -1.17 0.11 -0.23 -0.04 7.28 5.95 1nu7H1 PHE 225 HE2 -0.75 0.01 -0.20 -0.04 7.38 6.39 1nu7H1 PHE 225 HZ -1.15 -0.00 -0.10 -0.04 7.32 6.03 1nu7H1 PHE 226 H -0.02 0.39 -0.17 -0.55 8.34 7.99 1nu7H1 PHE 226 HA -0.37 -0.04 0.40 -0.75 4.62 3.86 1nu7H1 PHE 226 HB2 -0.63 0.03 0.07 -0.04 3.15 2.58 1nu7H1 PHE 226 HB3 -0.50 0.18 -0.09 -0.04 3.06 2.61 1nu7H1 PHE 226 HD2 -0.27 0.03 -0.43 -0.04 7.28 6.58 1nu7H1 PHE 226 HE2 -0.12 -0.01 -0.10 -0.04 7.38 7.11 1nu7H1 PHE 226 HZ -0.07 -0.03 -0.05 -0.04 7.32 7.13 1nu7H1 ILE 227 H 0.07 0.59 -0.11 -0.55 8.25 8.25 1nu7H1 ILE 227 HA 0.11 0.05 0.41 -0.75 4.18 3.99 1nu7H1 ILE 227 HB -0.23 0.07 0.15 -0.04 1.89 1.84 1nu7H1 ILE 227 HG12 -0.80 -0.06 -0.02 -0.04 1.49 0.57 1nu7H1 ILE 227 HG13 -0.14 -0.00 0.02 -0.04 1.21 1.04 1nu7H1 ILE 227 HG23 -0.11 -0.02 -0.20 -0.04 0.93 0.56 1nu7H1 ILE 227 HD13 -0.69 0.03 -0.07 -0.04 0.88 0.12 1nu7H1 GLU 228 H -0.12 0.61 -0.09 -0.55 8.60 8.45 1nu7H1 GLU 228 HA -0.06 0.05 0.50 -0.75 4.29 4.03 1nu7H1 GLU 228 HB2 -0.15 0.12 0.13 -0.04 2.09 2.14 1nu7H1 GLU 228 HB3 -0.08 -0.08 0.03 -0.04 1.99 1.81 1nu7H1 GLU 228 HG2 -0.01 -0.05 0.02 -0.04 2.34 2.26 1nu7H1 GLU 228 HG3 -0.01 0.01 0.04 -0.04 2.34 2.35 1nu7H1 THR 229 H -0.40 0.44 -0.13 -0.55 8.28 7.65 1nu7H1 THR 229 HA -0.13 0.09 0.69 -0.75 4.39 4.29 1nu7H1 THR 229 HB -0.80 -0.06 0.07 -0.04 4.32 3.48 1nu7H1 THR 229 HG23 -1.02 0.02 0.04 -0.04 1.22 0.22 1nu7H1 GLY 230 H -0.11 0.30 -0.36 -0.55 8.43 7.71 1nu7H1 GLY 230 HA2 0.02 0.05 0.30 -0.51 4.01 3.87 1nu7H1 GLY 230 HA3 -0.00 0.02 0.49 -0.51 4.01 4.00 1nu7H1 LEU 231 H -0.19 -0.02 -0.28 -0.55 8.37 7.33 1nu7H1 LEU 231 HA 0.03 0.10 0.55 -0.75 4.35 4.27 1nu7H1 LEU 231 HB2 -0.15 -0.05 -0.06 -0.04 1.64 1.34 1nu7H1 LEU 231 HB3 0.05 0.04 0.02 -0.04 1.64 1.71 1nu7H1 LEU 231 HG -0.58 0.02 -0.18 -0.04 1.64 0.86 1nu7H1 LEU 231 HD13 -1.09 -0.02 -0.05 -0.04 0.93 -0.27 1nu7H1 LEU 231 HD23 -0.06 0.01 -0.07 -0.04 0.89 0.72 1nu7H1 ASN 232 H 0.10 0.19 0.09 -0.55 8.53 8.37 1nu7H1 ASN 232 HA 0.34 0.09 0.71 -0.75 4.76 5.16 1nu7H1 ASN 232 HB2 0.08 0.17 -0.02 -0.04 2.88 3.07 1nu7H1 ASN 232 HB3 0.11 0.07 -0.29 -0.04 2.79 2.65 1nu7H1 ASN 232 HD21 0.12 -0.13 -0.17 -0.04 7.03 6.81 1nu7H1 ASN 232 HD22 0.11 0.32 -0.09 -0.04 7.74 8.03 1nu7H1 LYS 233 H -2.03 0.07 0.06 -0.55 8.42 5.96 1nu7H1 LYS 233 HA -2.06 0.18 0.57 -0.75 4.32 2.25 1nu7H1 LYS 233 HB2 -2.24 -0.01 -0.02 -0.04 1.87 -0.44 1nu7H1 LYS 233 HB3 -1.73 -0.10 0.07 -0.04 1.79 -0.01 1nu7H1 LYS 233 HG2 -0.55 0.11 -0.36 -0.04 1.46 0.61 1nu7H1 LYS 233 HG3 -0.91 0.03 -0.09 -0.04 1.46 0.45 1nu7H1 LYS 233 HD2 -0.21 -0.01 -0.10 -0.04 1.69 1.33 1nu7H1 LYS 233 HD3 -0.46 -0.04 -0.12 -0.04 1.68 1.01 1nu7H1 LYS 233 HE2 0.03 -0.01 -0.06 -0.04 2.99 2.91 1nu7H1 LYS 233 HE3 -0.18 -0.07 -0.07 -0.04 2.99 2.63 1nu7H1 PRO 234 HA -0.15 0.02 0.50 -0.51 4.44 4.31 1nu7H1 PRO 234 HB2 -0.07 0.03 -0.02 -0.04 2.28 2.18 1nu7H1 PRO 234 HB3 -0.07 0.20 -0.20 -0.04 2.02 1.91 1nu7H1 PRO 234 HG2 -0.11 -0.04 -0.06 -0.04 2.03 1.78 1nu7H1 PRO 234 HG3 -0.02 0.06 -0.02 -0.04 2.03 2.01 1nu7H1 PRO 234 HD2 -0.69 0.01 0.17 -0.04 3.68 3.13 1nu7H1 PRO 234 HD3 -0.32 0.35 0.21 -0.04 3.65 3.84 1nu7H1 ASP 235 H -0.06 0.14 0.17 -0.55 8.40 8.10 1nu7H1 ASP 235 HA -0.06 0.10 0.40 -0.75 4.63 4.33 1nu7H1 ASP 235 HB2 -0.02 -0.02 0.08 -0.04 2.71 2.72 1nu7H1 ASP 235 HB3 -0.01 -0.00 0.05 -0.04 2.70 2.69 1nu7H1 ASN 236 H -0.05 0.08 -0.39 -0.55 8.53 7.63 1nu7H1 ASN 236 HA -0.02 0.17 0.87 -0.75 4.76 5.03 1nu7H1 ASN 236 HB2 -0.01 -0.02 0.02 -0.04 2.88 2.82 1nu7H1 ASN 236 HB3 -0.01 -0.00 -0.12 -0.04 2.79 2.62 1nu7H1 ASN 236 HD21 -0.00 0.01 -0.12 -0.04 7.03 6.89 1nu7H1 ASN 236 HD22 -0.01 -0.02 -0.10 -0.04 7.74 7.58 1nu7H1 ILE 237 H -0.01 0.29 0.07 -0.55 8.25 8.05 1nu7H1 ILE 237 HA -0.00 0.17 0.83 -0.75 4.18 4.42 1nu7H1 ILE 237 HB 0.01 -0.04 -0.00 -0.04 1.89 1.81 1nu7H1 ILE 237 HG12 0.01 0.04 -0.07 -0.04 1.49 1.44 1nu7H1 ILE 237 HG13 -0.04 -0.03 -0.65 -0.04 1.21 0.45 1nu7H1 ILE 237 HG23 0.03 0.04 -0.10 -0.04 0.93 0.86 1nu7H1 ILE 237 HD13 -0.01 0.00 -0.11 -0.04 0.88 0.72 1nu7H1 THR 238 H -0.00 0.17 0.05 -0.55 8.28 7.95 1nu7H1 THR 238 HA 0.03 0.05 0.57 -0.75 4.39 4.28 1nu7H1 THR 238 HB -0.04 -0.01 0.09 -0.04 4.32 4.32 1nu7H1 THR 238 HG23 0.05 0.02 -0.21 -0.04 1.22 1.04 1nu7H1 SER 239 H 0.06 0.10 0.12 -0.55 8.46 8.19 1nu7H1 SER 239 HA 0.12 0.02 0.10 -0.75 4.49 3.98 1nu7H1 SER 239 HB2 0.09 -0.06 0.03 -0.04 3.95 3.97 1nu7H1 SER 239 HB3 0.11 0.05 0.01 -0.04 3.93 4.06 1nu7H1 TYR 240 H 0.31 0.46 0.01 -0.55 8.29 8.52 1nu7H1 TYR 240 HA 0.19 0.04 0.37 -0.75 4.56 4.41 1nu7H1 TYR 240 HB2 0.30 0.05 0.03 -0.04 3.06 3.39 1nu7H1 TYR 240 HB3 0.31 0.01 0.15 -0.04 2.98 3.41 1nu7H1 TYR 240 HD2 0.19 0.07 -0.14 -0.04 7.15 7.23 1nu7H1 TYR 240 HE2 0.07 0.08 -0.21 -0.04 6.85 6.75 1nu7H1 ASP 241 H -0.03 0.18 0.00 -0.55 8.40 8.00 1nu7H1 ASP 241 HA -0.19 0.14 0.72 -0.75 4.63 4.55 1nu7H1 ASP 241 HB2 -0.03 0.23 -0.26 -0.04 2.71 2.60 1nu7H1 ASP 241 HB3 -0.31 -0.02 0.09 -0.04 2.70 2.43 1nu7H1 SER 242 H -0.29 0.30 0.05 -0.55 8.46 7.97 1nu7H1 SER 242 HA -0.18 0.01 0.28 -0.75 4.49 3.85 1nu7H1 SER 242 HB2 0.15 0.08 0.09 -0.04 3.95 4.23 1nu7H1 SER 242 HB3 0.02 0.04 0.05 -0.04 3.93 4.00 1nu7H1 SER 243 H -0.15 0.10 -0.29 -0.55 8.46 7.58 1nu7H1 SER 243 HA -0.03 0.12 0.46 -0.75 4.49 4.28 1nu7H1 SER 243 HB2 -0.11 0.06 0.06 -0.04 3.95 3.92 1nu7H1 SER 243 HB3 -0.07 -0.01 0.05 -0.04 3.93 3.86 1nu7H1 LYS 244 H -0.41 0.37 -0.19 -0.55 8.42 7.63 1nu7H1 LYS 244 HA -0.58 0.23 0.95 -0.75 4.32 4.16 1nu7H1 LYS 244 HB2 -1.08 0.04 0.04 -0.04 1.87 0.82 1nu7H1 LYS 244 HB3 -0.56 0.01 0.03 -0.04 1.79 1.22 1nu7H1 LYS 244 HG2 -0.28 0.04 -0.07 -0.04 1.46 1.11 1nu7H1 LYS 244 HG3 -0.31 -0.11 -0.12 -0.04 1.46 0.87 1nu7H1 LYS 244 HD2 -0.29 0.02 -0.03 -0.04 1.69 1.35 1nu7H1 LYS 244 HD3 -0.19 0.02 -0.03 -0.04 1.68 1.43 1nu7H1 LYS 244 HE2 -0.11 0.01 -0.04 -0.04 2.99 2.80 1nu7H1 LYS 244 HE3 -0.13 -0.04 -0.05 -0.04 2.99 2.74 1nu7H1 HIS 245 H -0.27 0.38 0.04 -0.55 8.41 8.02 1nu7H1 HIS 245 HA 0.11 0.24 0.80 -0.75 4.63 5.03 1nu7H1 HIS 245 HB2 -0.07 -0.12 -0.17 -0.04 3.26 2.86 1nu7H1 HIS 245 HB3 0.19 0.05 -0.01 -0.04 3.20 3.38 1nu7H1 HIS 245 HD2 0.00 0.16 -0.29 -0.04 6.97 6.80 1nu7H1 HIS 245 HE1 -0.03 0.15 -0.07 -0.04 7.75 7.75 1nu7H1 HIS 246 H 0.27 0.37 -0.05 -0.55 8.41 8.44 1nu7H1 HIS 246 HA 0.21 0.01 0.39 -0.75 4.63 4.49 1nu7H1 HIS 246 HB2 0.14 0.41 0.24 -0.04 3.26 4.01 1nu7H1 HIS 246 HB3 0.09 -0.14 0.10 -0.04 3.20 3.21 1nu7H1 HIS 246 HD2 0.14 0.03 0.04 -0.04 6.97 7.14 1nu7H1 HIS 246 HE1 -0.19 0.10 0.00 -0.04 7.75 7.62 1nu7H1 TYR 247 H -0.51 0.14 0.19 -0.55 8.29 7.56 1nu7H1 TYR 247 HA -0.82 0.12 0.27 -0.75 4.56 3.38 1nu7H1 TYR 247 HB2 -1.89 0.06 0.11 -0.04 3.06 1.30 1nu7H1 TYR 247 HB3 -1.39 0.01 0.17 -0.04 2.98 1.73 1nu7H1 TYR 247 HD2 -0.49 -0.02 -0.02 -0.04 7.15 6.57 1nu7H1 TYR 247 HE2 -0.10 0.02 -0.04 -0.04 6.85 6.69 1nu7H1 LYS 248 H -0.49 -0.04 -0.26 -0.55 8.42 7.07 1nu7H1 LYS 248 HA -0.47 0.25 0.90 -0.75 4.32 4.25 1nu7H1 LYS 248 HB2 -1.11 0.02 -0.01 -0.04 1.87 0.72 1nu7H1 LYS 248 HB3 -0.20 -0.05 0.03 -0.04 1.79 1.53 1nu7H1 LYS 248 HG2 -0.18 0.01 -0.04 -0.04 1.46 1.20 1nu7H1 LYS 248 HG3 -0.20 0.02 -0.19 -0.04 1.46 1.06 1nu7H1 LYS 248 HD2 -0.23 0.02 0.12 -0.04 1.69 1.56 1nu7H1 LYS 248 HD3 -0.26 0.00 0.01 -0.04 1.68 1.39 1nu7H1 LYS 248 HE2 -0.09 -0.00 -0.01 -0.04 2.99 2.85 1nu7H1 LYS 248 HE3 -0.11 0.00 0.01 -0.04 2.99 2.85 1nu7H1 ASN 249 H 0.39 -0.06 -0.11 -0.55 8.53 8.20 1nu7H1 ASN 249 HA -0.27 0.16 0.56 -0.75 4.76 4.46 1nu7H1 ASN 249 HB2 -0.24 0.00 0.03 -0.04 2.88 2.64 1nu7H1 ASN 249 HB3 -0.49 0.06 0.05 -0.04 2.79 2.37 1nu7H1 ASN 249 HD21 -0.68 0.02 -0.01 -0.04 7.03 6.31 1nu7H1 ASN 249 HD22 -0.59 0.04 -0.00 -0.04 7.74 7.14 1nu7H1 HIS 250 H 0.02 0.61 -0.30 -0.55 8.41 8.20 1nu7H1 HIS 250 HA 0.00 0.14 0.66 -0.75 4.63 4.67 1nu7H1 HIS 250 HB2 0.06 -0.08 -0.28 -0.04 3.26 2.92 1nu7H1 HIS 250 HB3 0.02 -0.01 0.02 -0.04 3.20 3.19 1nu7H1 HIS 250 HD2 0.02 -0.07 -0.16 -0.04 6.97 6.71 1nu7H1 HIS 250 HE1 -0.05 -0.06 0.03 -0.04 7.75 7.63 1nu7H1 SER 251 H -0.02 0.26 -0.25 -0.55 8.46 7.91 1nu7H1 SER 251 HA 0.09 0.16 0.32 -0.75 4.49 4.31 1nu7H1 SER 251 HB2 0.02 -0.07 0.08 -0.04 3.95 3.94 1nu7H1 SER 251 HB3 0.05 0.00 0.03 -0.04 3.93 3.96 1nu7H1 GLU 252 H 0.07 0.12 -0.17 -0.55 8.60 8.06 1nu7H1 GLU 252 HA 0.06 0.07 0.40 -0.75 4.29 4.07 1nu7H1 GLU 252 HB2 0.06 0.01 0.04 -0.04 2.09 2.15 1nu7H1 GLU 252 HB3 0.04 0.04 0.01 -0.04 1.99 2.04 1nu7H1 GLU 252 HG2 0.03 -0.05 0.05 -0.04 2.34 2.33 1nu7H1 GLU 252 HG3 0.03 0.05 0.02 -0.04 2.34 2.39 1nu7H1 GLY 253 H 0.14 0.10 -0.26 -0.55 8.43 7.86 1nu7H1 GLY 253 HA2 0.11 -0.03 0.40 -0.51 4.01 3.98 1nu7H1 GLY 253 HA3 0.15 0.35 0.39 -0.51 4.01 4.39 1nu7H1 PHE 254 H 0.29 0.64 -0.19 -0.55 8.34 8.53 1nu7H1 PHE 254 HA 0.05 0.02 0.45 -0.75 4.62 4.38 1nu7H1 PHE 254 HB2 0.04 0.10 -0.30 -0.04 3.15 2.95 1nu7H1 PHE 254 HB3 0.02 0.10 0.15 -0.04 3.06 3.29 1nu7H1 PHE 254 HD2 -0.09 0.15 0.03 -0.04 7.28 7.32 1nu7H1 PHE 254 HE2 -0.75 -0.01 0.01 -0.04 7.38 6.58 1nu7H1 PHE 254 HZ -0.15 0.04 0.03 -0.04 7.32 7.20 1nu7H1 GLU 255 H 0.16 0.67 -0.01 -0.55 8.60 8.87 1nu7H1 GLU 255 HA -0.17 -0.02 0.37 -0.75 4.29 3.72 1nu7H1 GLU 255 HB2 0.04 0.10 0.17 -0.04 2.09 2.36 1nu7H1 GLU 255 HB3 -0.01 -0.05 0.04 -0.04 1.99 1.94 1nu7H1 GLU 255 HG2 0.18 0.15 0.11 -0.04 2.34 2.74 1nu7H1 GLU 255 HG3 0.07 -0.04 0.02 -0.04 2.34 2.35 1nu7H1 ALA 256 H 0.01 0.59 -0.19 -0.55 8.40 8.27 1nu7H1 ALA 256 HA -0.04 -0.02 0.43 -0.75 4.34 3.96 1nu7H1 ALA 256 HB3 0.02 0.02 0.10 -0.04 1.41 1.50 1nu7H1 LEU 257 H -0.11 0.59 -0.20 -0.55 8.37 8.11 1nu7H1 LEU 257 HA -0.15 -0.02 0.44 -0.75 4.35 3.87 1nu7H1 LEU 257 HB2 -0.33 0.15 0.16 -0.04 1.64 1.58 1nu7H1 LEU 257 HB3 -0.31 0.07 0.11 -0.04 1.64 1.46 1nu7H1 LEU 257 HG -0.97 -0.03 -0.06 -0.04 1.64 0.54 1nu7H1 LEU 257 HD13 -0.05 -0.02 -0.05 -0.04 0.93 0.77 1nu7H1 LEU 257 HD23 -0.14 0.03 -0.03 -0.04 0.89 0.71 1nu7H1 VAL 258 H -0.34 0.58 -0.02 -0.55 8.24 7.90 1nu7H1 VAL 258 HA -0.27 0.02 0.41 -0.75 4.13 3.53 1nu7H1 VAL 258 HB -0.33 0.08 0.20 -0.04 2.12 2.02 1nu7H1 VAL 258 HG13 -0.25 -0.01 -0.04 -0.04 0.97 0.63 1nu7H1 VAL 258 HG23 -0.71 0.02 -0.12 -0.04 0.95 0.10 1nu7H1 LYS 259 H -0.14 0.69 -0.03 -0.55 8.42 8.38 1nu7H1 LYS 259 HA -0.10 -0.00 0.38 -0.75 4.32 3.84 1nu7H1 LYS 259 HB2 -0.07 0.03 0.14 -0.04 1.87 1.92 1nu7H1 LYS 259 HB3 -0.06 0.08 0.17 -0.04 1.79 1.94 1nu7H1 LYS 259 HG2 -0.03 -0.01 -0.14 -0.04 1.46 1.24 1nu7H1 LYS 259 HG3 -0.04 -0.03 0.04 -0.04 1.46 1.38 1nu7H1 LYS 259 HD2 -0.03 -0.01 0.00 -0.04 1.69 1.61 1nu7H1 LYS 259 HD3 -0.02 0.01 -0.00 -0.04 1.68 1.62 1nu7H1 LYS 259 HE2 -0.02 -0.01 -0.01 -0.04 2.99 2.92 1nu7H1 LYS 259 HE3 -0.01 -0.02 -0.01 -0.04 2.99 2.91 1nu7H1 GLU 260 H -0.08 0.62 -0.12 -0.55 8.60 8.48 1nu7H1 GLU 260 HA -0.03 -0.02 0.39 -0.75 4.29 3.87 1nu7H1 GLU 260 HB2 -0.03 -0.02 0.14 -0.04 2.09 2.13 1nu7H1 GLU 260 HB3 -0.06 0.12 0.22 -0.04 1.99 2.22 1nu7H1 GLU 260 HG2 -0.03 0.01 -0.32 -0.04 2.34 1.97 1nu7H1 GLU 260 HG3 -0.02 -0.04 0.03 -0.04 2.34 2.27 1nu7H1 THR 261 H -0.09 0.68 -0.17 -0.55 8.28 8.15 1nu7H1 THR 261 HA -0.01 -0.00 0.53 -0.75 4.39 4.16 1nu7H1 THR 261 HB -0.11 0.08 0.17 -0.04 4.32 4.43 1nu7H1 THR 261 HG23 0.06 -0.02 -0.12 -0.04 1.22 1.09 1nu7H1 ARG 262 H -0.13 0.85 0.11 -0.55 8.46 8.74 1nu7H1 ARG 262 HA -0.02 0.01 0.46 -0.75 4.34 4.02 1nu7H1 ARG 262 HB2 -0.11 0.07 0.21 -0.04 1.90 2.02 1nu7H1 ARG 262 HB3 -0.08 -0.08 0.06 -0.04 1.80 1.65 1nu7H1 ARG 262 HG2 -0.68 0.01 0.12 -0.04 1.67 1.08 1nu7H1 ARG 262 HG3 -0.34 0.16 0.16 -0.04 1.67 1.61 1nu7H1 ARG 262 HD2 -0.21 -0.08 -0.06 -0.04 3.22 2.83 1nu7H1 ARG 262 HD3 -0.15 -0.07 0.02 -0.04 3.22 2.99 1nu7H1 GLU 263 H -0.03 0.70 -0.12 -0.55 8.60 8.61 1nu7H1 GLU 263 HA 0.02 -0.01 0.42 -0.75 4.29 3.96 1nu7H1 GLU 263 HB2 -0.01 0.10 0.14 -0.04 2.09 2.28 1nu7H1 GLU 263 HB3 0.00 -0.07 0.03 -0.04 1.99 1.91 1nu7H1 GLU 263 HG2 -0.00 -0.06 0.03 -0.04 2.34 2.27 1nu7H1 GLU 263 HG3 -0.02 0.15 0.10 -0.04 2.34 2.52 1nu7H1 ALA 264 H 0.01 0.52 -0.15 -0.55 8.40 8.22 1nu7H1 ALA 264 HA 0.00 -0.04 0.45 -0.75 4.34 4.00 1nu7H1 ALA 264 HB3 -0.00 0.01 0.19 -0.04 1.41 1.57 1nu7H1 VAL 265 H 0.09 0.47 -0.20 -0.55 8.24 8.05 1nu7H1 VAL 265 HA 0.03 0.08 0.45 -0.75 4.13 3.93 1nu7H1 VAL 265 HB 0.28 0.11 0.23 -0.04 2.12 2.70 1nu7H1 VAL 265 HG13 0.20 0.03 -0.04 -0.04 0.97 1.12 1nu7H1 VAL 265 HG23 0.38 0.05 0.06 -0.04 0.95 1.41 1nu7H1 THR 266 H 0.09 0.50 0.02 -0.55 8.28 8.33 1nu7H1 THR 266 HA 0.07 -0.02 0.39 -0.75 4.39 4.08 1nu7H1 THR 266 HB 0.04 0.11 0.20 -0.04 4.32 4.63 1nu7H1 THR 266 HG23 0.04 -0.03 -0.06 -0.04 1.22 1.13 1nu7H1 ASN 267 H 0.03 0.47 -0.28 -0.55 8.53 8.20 1nu7H1 ASN 267 HA 0.02 0.06 0.56 -0.75 4.76 4.66 1nu7H1 ASN 267 HB2 0.01 0.06 0.10 -0.04 2.88 3.00 1nu7H1 ASN 267 HB3 0.01 -0.12 0.13 -0.04 2.79 2.77 1nu7H1 ASN 267 HD21 0.01 -0.09 -0.02 -0.04 7.03 6.89 1nu7H1 ASN 267 HD22 0.01 -0.03 -0.05 -0.04 7.74 7.63 1nu7H1 ALA 268 H 0.01 0.51 -0.36 -0.55 8.40 8.02 1nu7H1 ALA 268 HA 0.01 -0.10 0.53 -0.75 4.34 4.02 1nu7H1 ALA 268 HB3 -0.07 0.04 -0.15 -0.04 1.41 1.19 1nu7H1 ASN 269 H 0.06 0.00 0.18 -0.55 8.53 8.23 1nu7H1 ASN 269 HA 0.07 0.28 0.81 -0.75 4.76 5.16 1nu7H1 ASN 269 HB2 0.04 -0.09 0.19 -0.04 2.88 2.99 1nu7H1 ASN 269 HB3 0.04 0.13 0.08 -0.04 2.79 3.00 1nu7H1 ASN 269 HD21 0.03 -0.01 0.04 -0.04 7.03 7.05 1nu7H1 ASN 269 HD22 0.03 0.07 0.05 -0.04 7.74 7.85 1nu7H1 ASP 270 H 0.04 0.17 0.12 -0.55 8.40 8.19 1nu7H1 ASP 270 HA 0.18 0.25 0.85 -0.75 4.63 5.15 1nu7H1 ASP 270 HB2 -0.18 0.01 0.16 -0.04 2.71 2.66 1nu7H1 ASP 270 HB3 0.03 0.10 0.02 -0.04 2.70 2.81 1nu7H1 SER 271 H 0.07 0.11 -0.33 -0.55 8.46 7.77 1nu7H1 SER 271 HA -0.06 0.08 0.38 -0.75 4.49 4.14 1nu7H1 SER 271 HB2 0.06 -0.03 0.07 -0.04 3.95 4.01 1nu7H1 SER 271 HB3 0.06 0.07 -0.10 -0.04 3.93 3.92 1nu7H1 TRP 272 H 0.32 0.17 -0.25 -0.55 7.97 7.66 1nu7H1 TRP 272 HA -0.02 0.07 0.30 -0.75 4.62 4.21 1nu7H1 TRP 272 HB2 -0.06 0.02 0.00 -0.04 3.23 3.15 1nu7H1 TRP 272 HB3 -0.08 0.08 0.05 -0.04 3.23 3.24 1nu7H1 TRP 272 HD1 -0.09 0.19 0.09 -0.04 7.22 7.37 1nu7H1 TRP 272 HE1 -0.08 0.12 0.07 -0.04 10.20 10.26 1nu7H1 TRP 272 HE3 -0.02 -0.03 -0.22 -0.04 7.59 7.27 1nu7H1 TRP 272 HZ2 -0.02 0.28 -0.09 -0.04 7.44 7.57 1nu7H1 TRP 272 HZ3 -0.07 -0.04 -0.03 -0.04 7.13 6.96 1nu7H1 TRP 272 HH2 -0.09 0.02 -0.17 -0.04 7.19 6.91 1nu7H1 LYS 273 H -1.07 0.35 -0.41 -0.55 8.42 6.73 1nu7H1 LYS 273 HA -0.93 0.03 0.38 -0.75 4.32 3.04 1nu7H1 LYS 273 HB2 -0.55 0.14 0.09 -0.04 1.87 1.50 1nu7H1 LYS 273 HB3 -0.47 -0.01 0.04 -0.04 1.79 1.31 1nu7H1 LYS 273 HG2 -1.62 -0.02 0.02 -0.04 1.46 -0.20 1nu7H1 LYS 273 HG3 -1.55 -0.02 0.05 -0.04 1.46 -0.10 1nu7H1 LYS 273 HD2 -0.35 -0.00 0.03 -0.04 1.69 1.32 1nu7H1 LYS 273 HD3 -0.36 -0.02 0.01 -0.04 1.68 1.27 1nu7H1 LYS 273 HE2 -0.15 -0.01 -0.01 -0.04 2.99 2.79 1nu7H1 LYS 273 HE3 -0.28 0.02 -0.03 -0.04 2.99 2.66 1nu7H1 THR 274 H -0.19 0.44 -0.27 -0.55 8.28 7.71 1nu7H1 THR 274 HA -0.08 0.14 0.69 -0.75 4.39 4.38 1nu7H1 THR 274 HB -0.04 -0.03 0.17 -0.04 4.32 4.37 1nu7H1 THR 274 HG23 -0.10 -0.00 0.02 -0.04 1.22 1.10 1nu7H1 LYS 275 H -0.01 0.42 -0.38 -0.55 8.42 7.90 1nu7H1 LYS 275 HA 0.03 0.20 0.87 -0.75 4.32 4.67 1nu7H1 LYS 275 HB2 0.10 0.02 0.02 -0.04 1.87 1.96 1nu7H1 LYS 275 HB3 0.06 -0.05 0.13 -0.04 1.79 1.89 1nu7H1 LYS 275 HG2 0.03 0.02 -0.15 -0.04 1.46 1.31 1nu7H1 LYS 275 HG3 0.02 -0.06 -0.36 -0.04 1.46 1.02 1nu7H1 LYS 275 HD2 0.09 -0.02 -0.08 -0.04 1.69 1.63 1nu7H1 LYS 275 HD3 0.05 -0.02 -0.04 -0.04 1.68 1.63 1nu7H1 LYS 275 HE2 0.04 -0.05 -0.09 -0.04 2.99 2.85 1nu7H1 LYS 275 HE3 0.03 -0.01 -0.07 -0.04 2.99 2.90 1nu7H1 THR 276 H 0.07 0.16 -0.08 -0.55 8.28 7.88 1nu7H1 THR 276 HA 0.22 0.02 0.45 -0.75 4.39 4.33 1nu7H1 THR 276 HB 0.47 -0.18 0.10 -0.04 4.32 4.66 1nu7H1 THR 276 HG23 0.23 -0.00 0.04 -0.04 1.22 1.45 1nu7H1 VAL 277 H 0.18 0.04 0.15 -0.55 8.24 8.06 1nu7H1 VAL 277 HA 0.06 0.11 0.49 -0.75 4.13 4.03 1nu7H1 VAL 277 HB 0.10 -0.09 0.15 -0.04 2.12 2.23 1nu7H1 VAL 277 HG13 0.03 0.01 -0.10 -0.04 0.97 0.86 1nu7H1 VAL 277 HG23 0.08 0.02 0.05 -0.04 0.95 1.06 1nu7H1 LYS 278 H 0.07 -0.02 -0.02 -0.55 8.42 7.89 1nu7H1 LYS 278 HA -0.11 0.13 0.60 -0.75 4.32 4.19 1nu7H1 LYS 278 HB2 -0.57 -0.03 -0.04 -0.04 1.87 1.19 1nu7H1 LYS 278 HB3 -0.46 0.08 0.01 -0.04 1.79 1.39 1nu7H1 LYS 278 HG2 -0.09 0.02 -0.02 -0.04 1.46 1.33 1nu7H1 LYS 278 HG3 -0.02 -0.09 -0.05 -0.04 1.46 1.26 1nu7H1 LYS 278 HD2 0.01 -0.01 -0.04 -0.04 1.69 1.61 1nu7H1 LYS 278 HD3 0.08 0.03 -0.01 -0.04 1.68 1.74 1nu7H1 LYS 278 HE2 -0.31 0.02 -0.06 -0.04 2.99 2.60 1nu7H1 LYS 278 HE3 -0.15 0.01 -0.01 -0.04 2.99 2.79 1nu7H1 LYS 279 H -0.21 0.12 0.12 -0.55 8.42 7.89 1nu7H1 LYS 279 HA -0.06 0.17 0.70 -0.75 4.32 4.37 1nu7H1 LYS 279 HB2 -0.07 -0.01 0.05 -0.04 1.87 1.80 1nu7H1 LYS 279 HB3 -0.09 -0.05 0.06 -0.04 1.79 1.68 1nu7H1 LYS 279 HG2 -0.03 -0.06 -0.04 -0.04 1.46 1.30 1nu7H1 LYS 279 HG3 -0.03 0.14 -0.10 -0.04 1.46 1.44 1nu7H1 LYS 279 HD2 -0.01 0.06 0.05 -0.04 1.69 1.76 1nu7H1 LYS 279 HD3 -0.02 -0.02 -0.03 -0.04 1.68 1.56 1nu7H1 LYS 279 HE2 -0.01 -0.00 -0.00 -0.04 2.99 2.93 1nu7H1 LYS 279 HE3 -0.01 -0.06 -0.02 -0.04 2.99 2.86 1nu7H1 TYR 280 H 0.09 0.24 0.10 -0.55 8.29 8.17 1nu7H1 TYR 280 HA 0.01 0.12 0.94 -0.75 4.56 4.87 1nu7H1 TYR 280 HB2 -0.03 0.03 0.08 -0.04 3.06 3.10 1nu7H1 TYR 280 HB3 0.00 -0.01 -0.05 -0.04 2.98 2.89 1nu7H1 TYR 280 HD2 0.02 0.04 -0.07 -0.04 7.15 7.11 1nu7H1 TYR 280 HE2 0.10 -0.05 -0.07 -0.04 6.85 6.79 1nu7H1 GLY 281 H 0.09 0.09 0.02 -0.55 8.43 8.08 1nu7H1 GLY 281 HA2 0.03 0.04 0.17 -0.51 4.01 3.74 1nu7H1 GLY 281 HA3 0.05 0.09 0.14 -0.51 4.01 3.78