============================================================================= 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 22 0.840 -62.160 17.428 -35.579 -99.200 -91.000 TRP 31 1.040 -52.914 22.289 -21.175 -99.200 -91.000 TRP6 31 1.020 -52.721 20.773 -19.367 -99.200 -91.000 HIS 41 0.900 -51.754 19.772 -40.303 -99.200 -91.000 TYR 53 0.840 -56.744 25.034 -43.537 -99.200 -91.000 HIS 63 0.900 -69.504 14.871 -30.307 -99.200 -91.000 PHE 65 1.000 -61.131 20.006 -31.837 -99.200 -91.000 PHE 73 1.000 -58.742 10.784 -23.594 -99.200 -91.000 TYR 81 0.840 -59.862 27.750 -38.642 -99.200 -91.000 HIS 100 0.900 -45.591 31.410 -21.517 -99.200 -91.000 PHE 102 1.000 -46.857 32.738 -26.435 -99.200 -91.000 PHE 111 1.000 -36.351 27.402 -33.965 -99.200 -91.000 TYR 117 0.840 -45.815 8.552 -33.024 -99.200 -91.000 TYR 125 0.840 -34.571 17.945 -33.497 -99.200 -91.000 PHE 139 1.000 -39.966 19.110 -36.894 -99.200 -91.000 TYR 149 0.840 -37.128 24.401 -25.862 -99.200 -91.000 TYR 157 0.840 -37.994 35.444 -25.090 -99.200 -91.000 PHE 158 1.000 -43.458 27.685 -24.995 -99.200 -91.000 TYR 160 0.840 -40.982 25.507 -36.289 -99.200 -91.000 HIS 162 0.900 -42.923 20.234 -38.881 -99.200 -91.000 HIS 163 0.900 -48.682 24.858 -38.819 -99.200 -91.000 HIS 171 0.900 -38.350 18.884 -41.858 -99.200 -91.000 PHE 176 1.000 -46.021 28.747 -30.203 -99.200 -91.000 TYR 181 0.840 -41.057 31.447 -37.882 -99.200 -91.000 TYR 184 0.840 -42.329 28.501 -47.797 -99.200 -91.000 PHE 206 1.000 -17.939 25.952 -39.469 -99.200 -91.000 TYR 208 0.840 -13.508 35.415 -35.026 -99.200 -91.000 TRP 217 1.040 -7.749 23.664 -42.650 -99.200 -91.000 TRP6 217 1.020 -8.692 23.771 -44.812 -99.200 -91.000 PHE 218 1.000 -10.417 28.068 -41.006 -99.200 -91.000 TYR 229 0.840 -18.296 38.354 -46.741 -99.200 -91.000 TRP 232 1.040 -17.646 35.897 -53.115 -99.200 -91.000 TRP6 232 1.020 -18.313 34.677 -51.207 -99.200 -91.000 PHE 238 1.000 -21.731 32.697 -48.213 -99.200 -91.000 PHE 247 1.000 -18.786 38.026 -36.046 -99.200 -91.000 PHE 272 1.000 -14.483 23.688 -45.816 -99.200 -91.000 TYR 280 0.840 -20.338 20.768 -39.747 -99.200 -91.000 PHE 287 1.000 -22.616 24.884 -34.892 -99.200 -91.000 TYR 297 0.840 -11.017 26.642 -24.795 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ampB1 SER 1 HA 0.03 -0.06 0.19 -0.75 4.49 3.89 2ampB1 SER 1 HB2 0.04 0.05 0.10 -0.04 3.95 4.10 2ampB1 SER 1 HB3 0.03 -0.25 0.08 -0.04 3.93 3.75 2ampB1 GLY 2 H 0.03 0.00 -0.02 -0.55 8.43 7.90 2ampB1 GLY 2 HA2 0.01 0.23 0.17 -0.51 4.01 3.90 2ampB1 GLY 2 HA3 0.02 0.00 0.47 -0.51 4.01 4.00 2ampB1 LEU 3 H -0.03 0.22 0.14 -0.55 8.37 8.16 2ampB1 LEU 3 HA 0.02 0.08 -0.14 -0.75 4.35 3.55 2ampB1 LEU 3 HB2 -0.13 0.12 0.21 -0.04 1.64 1.81 2ampB1 LEU 3 HB3 -0.24 -0.01 0.13 -0.04 1.64 1.48 2ampB1 LEU 3 HG -0.98 -0.03 -0.27 -0.04 1.64 0.32 2ampB1 LEU 3 HD13 -0.09 -0.01 -0.08 -0.04 0.93 0.71 2ampB1 LEU 3 HD23 -0.68 -0.02 -0.07 -0.04 0.89 0.08 2ampB1 ARG 4 H 0.15 0.25 0.03 -0.55 8.46 8.34 2ampB1 ARG 4 HA 0.29 0.16 0.91 -0.75 4.34 4.94 2ampB1 ARG 4 HB2 0.11 0.01 -0.10 -0.04 1.90 1.89 2ampB1 ARG 4 HB3 0.11 0.05 -0.03 -0.04 1.80 1.89 2ampB1 ARG 4 HG2 0.10 0.15 -0.55 -0.04 1.67 1.33 2ampB1 ARG 4 HG3 0.09 -0.10 -0.27 -0.04 1.67 1.34 2ampB1 ARG 4 HD2 0.05 0.03 -0.12 -0.04 3.22 3.14 2ampB1 ARG 4 HD3 0.06 0.02 -0.10 -0.04 3.22 3.16 2ampB1 LYS 5 H 0.20 0.19 0.11 -0.55 8.42 8.37 2ampB1 LYS 5 HA 0.05 0.04 0.69 -0.75 4.32 4.35 2ampB1 LYS 5 HB2 -0.19 -0.04 0.01 -0.04 1.87 1.61 2ampB1 LYS 5 HB3 0.00 0.02 0.22 -0.04 1.79 1.99 2ampB1 LYS 5 HG2 -0.15 0.10 -0.00 -0.04 1.46 1.36 2ampB1 LYS 5 HG3 -0.13 0.09 -0.19 -0.04 1.46 1.20 2ampB1 LYS 5 HD2 -0.56 -0.06 -0.08 -0.04 1.69 0.95 2ampB1 LYS 5 HD3 -0.67 -0.08 -0.12 -0.04 1.68 0.77 2ampB1 LYS 5 HE2 -0.28 -0.03 -0.27 -0.04 2.99 2.38 2ampB1 LYS 5 HE3 -0.22 -0.05 -0.27 -0.04 2.99 2.41 2ampB1 MET 6 H 0.06 0.17 0.22 -0.55 8.47 8.38 2ampB1 MET 6 HA 0.03 0.17 0.72 -0.75 4.52 4.69 2ampB1 MET 6 HB2 0.03 -0.02 -0.02 -0.04 2.15 2.09 2ampB1 MET 6 HB3 0.03 0.01 0.15 -0.04 2.03 2.18 2ampB1 MET 6 HG2 0.07 -0.00 -0.08 -0.04 2.63 2.57 2ampB1 MET 6 HG3 0.09 0.06 0.11 -0.04 2.56 2.78 2ampB1 MET 6 HE3 0.06 0.01 -0.01 -0.04 2.10 2.13 2ampB1 ALA 7 H 0.01 0.29 0.19 -0.55 8.40 8.34 2ampB1 ALA 7 HA -0.07 0.08 0.71 -0.75 4.34 4.30 2ampB1 ALA 7 HB3 -0.03 -0.00 -0.11 -0.04 1.41 1.23 2ampB1 GLN 8 H -0.10 0.06 0.10 -0.55 8.47 7.99 2ampB1 GLN 8 HA 0.02 0.12 0.52 -0.75 4.36 4.27 2ampB1 GLN 8 HB2 -0.10 -0.06 0.06 -0.04 2.15 2.00 2ampB1 GLN 8 HB3 0.04 0.10 0.01 -0.04 2.02 2.13 2ampB1 GLN 8 HG2 0.00 0.05 0.02 -0.04 2.40 2.43 2ampB1 GLN 8 HG3 -0.03 -0.04 -0.06 -0.04 2.39 2.21 2ampB1 GLN 8 HE21 0.00 -0.00 0.17 -0.04 6.97 7.10 2ampB1 GLN 8 HE22 0.00 0.04 0.03 -0.04 7.69 7.72 2ampB1 PRO 9 HA 0.09 0.12 0.41 -0.51 4.44 4.56 2ampB1 PRO 9 HB2 0.06 0.01 -0.04 -0.04 2.28 2.26 2ampB1 PRO 9 HB3 0.04 -0.04 0.06 -0.04 2.02 2.05 2ampB1 PRO 9 HG2 0.04 0.06 0.07 -0.04 2.03 2.16 2ampB1 PRO 9 HG3 0.04 0.11 0.06 -0.04 2.03 2.20 2ampB1 PRO 9 HD2 0.05 0.08 0.17 -0.04 3.68 3.94 2ampB1 PRO 9 HD3 0.04 0.19 0.23 -0.04 3.65 4.07 2ampB1 SER 10 H 0.05 0.05 0.19 -0.55 8.46 8.21 2ampB1 SER 10 HA -0.09 0.17 0.18 -0.75 4.49 4.00 2ampB1 SER 10 HB2 0.05 0.06 -0.05 -0.04 3.95 3.97 2ampB1 SER 10 HB3 0.08 0.03 0.02 -0.04 3.93 4.02 2ampB1 GLY 11 H 0.01 0.02 0.09 -0.55 8.43 8.00 2ampB1 GLY 11 HA2 -0.01 0.09 0.28 -0.51 4.01 3.86 2ampB1 GLY 11 HA3 -0.01 0.07 0.31 -0.51 4.01 3.88 2ampB1 LEU 12 H -0.05 0.04 -0.37 -0.55 8.37 7.44 2ampB1 LEU 12 HA -0.04 0.14 0.43 -0.75 4.35 4.13 2ampB1 LEU 12 HB2 -0.08 -0.01 -0.05 -0.04 1.64 1.46 2ampB1 LEU 12 HB3 -0.06 0.06 0.01 -0.04 1.64 1.60 2ampB1 LEU 12 HG -0.02 -0.09 -0.05 -0.04 1.64 1.44 2ampB1 LEU 12 HD13 -0.02 0.01 -0.05 -0.04 0.93 0.83 2ampB1 LEU 12 HD23 -0.03 0.02 0.01 -0.04 0.89 0.85 2ampB1 VAL 13 H -0.14 0.46 -0.20 -0.55 8.24 7.80 2ampB1 VAL 13 HA -0.01 0.18 0.81 -0.75 4.13 4.36 2ampB1 VAL 13 HB -0.29 0.05 0.06 -0.04 2.12 1.90 2ampB1 VAL 13 HG13 0.02 -0.00 -0.18 -0.04 0.97 0.77 2ampB1 VAL 13 HG23 -0.73 -0.02 -0.15 -0.04 0.95 0.00 2ampB1 GLU 14 H -0.05 0.24 0.03 -0.55 8.60 8.27 2ampB1 GLU 14 HA 0.01 0.01 0.30 -0.75 4.29 3.86 2ampB1 GLU 14 HB2 -0.00 0.07 0.07 -0.04 2.09 2.19 2ampB1 GLU 14 HB3 0.02 0.03 -0.01 -0.04 1.99 1.99 2ampB1 GLU 14 HG2 0.02 0.03 0.00 -0.04 2.34 2.35 2ampB1 GLU 14 HG3 -0.01 -0.04 -0.02 -0.04 2.34 2.23 2ampB1 PRO 15 HA 0.06 0.10 0.58 -0.51 4.44 4.67 2ampB1 PRO 15 HB2 -0.03 0.10 -0.03 -0.04 2.28 2.28 2ampB1 PRO 15 HB3 0.01 -0.05 0.07 -0.04 2.02 2.01 2ampB1 PRO 15 HG2 -0.02 0.06 0.03 -0.04 2.03 2.06 2ampB1 PRO 15 HG3 0.00 -0.04 0.00 -0.04 2.03 1.95 2ampB1 PRO 15 HD2 -0.02 0.16 -0.47 -0.04 3.68 3.31 2ampB1 PRO 15 HD3 -0.01 0.13 -0.05 -0.04 3.65 3.68 2ampB1 CYS 16 H 0.01 0.35 -0.12 -0.55 8.50 8.19 2ampB1 CYS 16 HA 0.09 0.13 0.51 -0.75 4.58 4.56 2ampB1 CYS 16 HB2 -0.06 -0.12 0.07 -0.04 2.97 2.83 2ampB1 CYS 16 HB3 -0.13 0.20 0.16 -0.04 2.97 3.16 2ampB1 ILE 17 H 0.09 0.27 -0.62 -0.55 8.25 7.44 2ampB1 ILE 17 HA 0.07 0.18 0.94 -0.75 4.18 4.61 2ampB1 ILE 17 HB 0.06 0.15 0.07 -0.04 1.89 2.13 2ampB1 ILE 17 HG12 0.07 -0.04 -0.13 -0.04 1.49 1.34 2ampB1 ILE 17 HG13 0.05 0.09 -0.21 -0.04 1.21 1.09 2ampB1 ILE 17 HG23 0.05 -0.02 -0.23 -0.04 0.93 0.69 2ampB1 ILE 17 HD13 0.06 -0.04 -0.15 -0.04 0.88 0.70 2ampB1 VAL 18 H 0.02 0.58 0.40 -0.55 8.24 8.70 2ampB1 VAL 18 HA -0.03 0.30 1.10 -0.75 4.13 4.74 2ampB1 VAL 18 HB -0.18 -0.14 -0.02 -0.04 2.12 1.74 2ampB1 VAL 18 HG13 -0.19 0.01 -0.40 -0.04 0.97 0.35 2ampB1 VAL 18 HG23 -0.10 0.03 -0.20 -0.04 0.95 0.65 2ampB1 ARG 19 H -0.09 0.56 0.28 -0.55 8.46 8.66 2ampB1 ARG 19 HA -0.03 0.24 1.15 -0.75 4.34 4.94 2ampB1 ARG 19 HB2 -0.03 0.02 -0.43 -0.04 1.90 1.42 2ampB1 ARG 19 HB3 -0.06 0.10 0.18 -0.04 1.80 1.97 2ampB1 ARG 19 HG2 0.01 0.02 -0.12 -0.04 1.67 1.54 2ampB1 ARG 19 HG3 -0.01 0.00 -0.16 -0.04 1.67 1.46 2ampB1 ARG 19 HD2 -0.00 0.11 -0.08 -0.04 3.22 3.21 2ampB1 ARG 19 HD3 -0.02 -0.01 -0.07 -0.04 3.22 3.09 2ampB1 VAL 20 H -0.04 0.21 0.01 -0.55 8.24 7.87 2ampB1 VAL 20 HA -0.04 0.20 0.70 -0.75 4.13 4.23 2ampB1 VAL 20 HB -0.06 -0.05 -0.12 -0.04 2.12 1.85 2ampB1 VAL 20 HG13 -0.18 0.02 -0.21 -0.04 0.97 0.56 2ampB1 VAL 20 HG23 -0.11 -0.01 -0.20 -0.04 0.95 0.59 2ampB1 SER 21 H 0.09 0.46 0.34 -0.55 8.46 8.79 2ampB1 SER 21 HA 0.10 0.49 1.04 -0.75 4.49 5.36 2ampB1 SER 21 HB2 0.07 -0.02 -0.02 -0.04 3.95 3.94 2ampB1 SER 21 HB3 0.09 0.04 -0.03 -0.04 3.93 3.99 2ampB1 TYR 22 H 0.15 0.23 -0.12 -0.55 8.29 8.00 2ampB1 TYR 22 HA 0.09 0.09 0.28 -0.75 4.56 4.27 2ampB1 TYR 22 HB2 0.40 0.14 -0.20 -0.04 3.06 3.35 2ampB1 TYR 22 HB3 0.15 0.09 -0.15 -0.04 2.98 3.03 2ampB1 TYR 22 HD2 -0.07 0.13 -0.10 -0.04 7.15 7.06 2ampB1 TYR 22 HE2 -0.34 0.04 -0.14 -0.04 6.85 6.37 2ampB1 GLY 23 H -0.12 0.26 0.07 -0.55 8.43 8.08 2ampB1 GLY 23 HA2 -0.17 0.04 0.35 -0.51 4.01 3.71 2ampB1 GLY 23 HA3 -0.18 0.17 0.79 -0.51 4.01 4.27 2ampB1 ASN 24 H -0.03 0.26 0.17 -0.55 8.53 8.38 2ampB1 ASN 24 HA -0.00 0.17 0.69 -0.75 4.76 4.86 2ampB1 ASN 24 HB2 -0.00 0.05 0.09 -0.04 2.88 2.98 2ampB1 ASN 24 HB3 0.00 -0.02 0.18 -0.04 2.79 2.92 2ampB1 ASN 24 HD21 -0.01 -0.01 0.02 -0.04 7.03 6.98 2ampB1 ASN 24 HD22 -0.01 -0.01 0.04 -0.04 7.74 7.73 2ampB1 ASN 25 H 0.04 0.18 -0.52 -0.55 8.53 7.68 2ampB1 ASN 25 HA 0.05 0.10 0.82 -0.75 4.76 4.97 2ampB1 ASN 25 HB2 0.15 0.13 0.12 -0.04 2.88 3.24 2ampB1 ASN 25 HB3 0.12 -0.07 -0.05 -0.04 2.79 2.75 2ampB1 ASN 25 HD21 0.10 0.04 -0.04 -0.04 7.03 7.08 2ampB1 ASN 25 HD22 0.17 -0.14 0.12 -0.04 7.74 7.85 2ampB1 VAL 26 H 0.01 0.21 0.16 -0.55 8.24 8.08 2ampB1 VAL 26 HA 0.02 0.25 0.93 -0.75 4.13 4.57 2ampB1 VAL 26 HB -0.07 -0.05 0.12 -0.04 2.12 2.07 2ampB1 VAL 26 HG13 -0.05 0.01 -0.09 -0.04 0.97 0.80 2ampB1 VAL 26 HG23 0.01 0.02 -0.17 -0.04 0.95 0.76 2ampB1 LEU 27 H -0.01 0.66 0.23 -0.55 8.37 8.70 2ampB1 LEU 27 HA -0.06 0.08 0.60 -0.75 4.35 4.21 2ampB1 LEU 27 HB2 -0.02 0.14 0.23 -0.04 1.64 1.95 2ampB1 LEU 27 HB3 0.01 -0.02 -0.14 -0.04 1.64 1.45 2ampB1 LEU 27 HG -0.00 0.07 -0.21 -0.04 1.64 1.46 2ampB1 LEU 27 HD13 -0.06 0.04 -0.30 -0.04 0.93 0.56 2ampB1 LEU 27 HD23 -0.09 -0.01 -0.15 -0.04 0.89 0.59 2ampB1 ASN 28 H -0.03 0.57 0.27 -0.55 8.53 8.80 2ampB1 ASN 28 HA -0.02 0.33 1.24 -0.75 4.76 5.56 2ampB1 ASN 28 HB2 0.02 -0.01 -0.19 -0.04 2.88 2.66 2ampB1 ASN 28 HB3 0.03 0.06 -0.09 -0.04 2.79 2.75 2ampB1 ASN 28 HD21 0.05 0.50 -0.21 -0.04 7.03 7.32 2ampB1 ASN 28 HD22 0.04 0.02 -0.28 -0.04 7.74 7.48 2ampB1 GLY 29 H -0.02 0.45 0.28 -0.55 8.43 8.60 2ampB1 GLY 29 HA2 -0.02 0.22 1.13 -0.51 4.01 4.83 2ampB1 GLY 29 HA3 -0.05 -0.02 0.25 -0.51 4.01 3.68 2ampB1 LEU 30 H 0.03 0.48 0.33 -0.55 8.37 8.66 2ampB1 LEU 30 HA 0.02 0.16 0.70 -0.75 4.35 4.48 2ampB1 LEU 30 HB2 0.04 0.01 0.07 -0.04 1.64 1.72 2ampB1 LEU 30 HB3 -0.00 -0.11 0.16 -0.04 1.64 1.65 2ampB1 LEU 30 HG -0.33 -0.04 -0.23 -0.04 1.64 1.00 2ampB1 LEU 30 HD13 -0.32 0.03 -0.02 -0.04 0.93 0.57 2ampB1 LEU 30 HD23 -0.89 -0.03 -0.05 -0.04 0.89 -0.12 2ampB1 TRP 31 H 0.09 0.75 0.36 -0.55 7.97 8.62 2ampB1 TRP 31 HA -0.10 0.19 1.12 -0.75 4.62 5.08 2ampB1 TRP 31 HB2 -0.06 -0.07 -0.18 -0.04 3.23 2.88 2ampB1 TRP 31 HB3 -0.07 0.03 0.13 -0.04 3.23 3.28 2ampB1 TRP 31 HD1 -0.06 0.45 -0.04 -0.04 7.22 7.53 2ampB1 TRP 31 HE1 -0.03 -0.11 -0.19 -0.04 10.20 9.83 2ampB1 TRP 31 HE3 -0.04 0.18 -0.05 -0.04 7.59 7.64 2ampB1 TRP 31 HZ2 -0.01 0.72 -0.17 -0.04 7.44 7.94 2ampB1 TRP 31 HZ3 -0.02 0.00 -0.02 -0.04 7.13 7.05 2ampB1 TRP 31 HH2 -0.01 -0.00 -0.04 -0.04 7.19 7.10 2ampB1 LEU 32 H -0.03 0.28 0.13 -0.55 8.37 8.20 2ampB1 LEU 32 HA -0.34 0.14 0.96 -0.75 4.35 4.36 2ampB1 LEU 32 HB2 -0.18 -0.06 0.05 -0.04 1.64 1.40 2ampB1 LEU 32 HB3 -0.23 -0.03 0.04 -0.04 1.64 1.38 2ampB1 LEU 32 HG -0.60 -0.05 -0.16 -0.04 1.64 0.79 2ampB1 LEU 32 HD13 -1.06 -0.01 -0.05 -0.04 0.93 -0.23 2ampB1 LEU 32 HD23 -0.43 0.08 0.02 -0.04 0.89 0.52 2ampB1 GLY 33 H -0.27 0.14 0.18 -0.55 8.43 7.94 2ampB1 GLY 33 HA2 -0.15 0.06 0.40 -0.51 4.01 3.80 2ampB1 GLY 33 HA3 -0.06 0.01 0.41 -0.51 4.01 3.86 2ampB1 ASP 34 H 0.01 0.11 0.18 -0.55 8.40 8.15 2ampB1 ASP 34 HA 0.21 0.13 0.40 -0.75 4.63 4.61 2ampB1 ASP 34 HB2 0.09 0.18 0.23 -0.04 2.71 3.18 2ampB1 ASP 34 HB3 0.06 -0.07 0.14 -0.04 2.70 2.79 2ampB1 GLU 35 H 0.07 0.39 -0.75 -0.55 8.60 7.77 2ampB1 GLU 35 HA 0.08 0.26 1.03 -0.75 4.29 4.91 2ampB1 GLU 35 HB2 0.03 0.04 0.03 -0.04 2.09 2.15 2ampB1 GLU 35 HB3 0.03 -0.05 -0.07 -0.04 1.99 1.86 2ampB1 GLU 35 HG2 0.02 -0.05 -0.12 -0.04 2.34 2.15 2ampB1 GLU 35 HG3 0.04 -0.01 -0.22 -0.04 2.34 2.10 2ampB1 VAL 36 H 0.04 0.16 0.20 -0.55 8.24 8.10 2ampB1 VAL 36 HA 0.13 0.36 1.01 -0.75 4.13 4.87 2ampB1 VAL 36 HB -0.08 -0.09 0.11 -0.04 2.12 2.01 2ampB1 VAL 36 HG13 -0.09 0.02 -0.24 -0.04 0.97 0.62 2ampB1 VAL 36 HG23 -0.06 -0.01 -0.30 -0.04 0.95 0.54 2ampB1 ILE 37 H 0.02 0.27 0.21 -0.55 8.25 8.20 2ampB1 ILE 37 HA 0.00 0.34 0.91 -0.75 4.18 4.68 2ampB1 ILE 37 HB 0.12 -0.04 0.10 -0.04 1.89 2.03 2ampB1 ILE 37 HG12 0.04 0.02 -0.06 -0.04 1.49 1.44 2ampB1 ILE 37 HG13 0.02 -0.07 -0.08 -0.04 1.21 1.04 2ampB1 ILE 37 HG23 0.16 -0.00 -0.07 -0.04 0.93 0.98 2ampB1 ILE 37 HD13 0.05 -0.00 -0.05 -0.04 0.88 0.84 2ampB1 CYS 38 H -0.03 0.36 0.35 -0.55 8.50 8.64 2ampB1 CYS 38 HA -0.08 0.08 0.49 -0.75 4.58 4.32 2ampB1 CYS 38 HB2 -0.10 0.11 0.12 -0.04 2.97 3.06 2ampB1 CYS 38 HB3 -0.08 0.10 -0.20 -0.04 2.97 2.75 2ampB1 PRO 39 HA -0.24 0.04 0.50 -0.51 4.44 4.22 2ampB1 PRO 39 HB2 -0.66 0.01 -0.00 -0.04 2.28 1.59 2ampB1 PRO 39 HB3 -0.64 -0.03 0.10 -0.04 2.02 1.41 2ampB1 PRO 39 HG2 -0.37 0.06 0.08 -0.04 2.03 1.76 2ampB1 PRO 39 HG3 -0.76 -0.00 0.04 -0.04 2.03 1.26 2ampB1 PRO 39 HD2 -0.20 0.20 0.17 -0.04 3.68 3.80 2ampB1 PRO 39 HD3 -0.21 0.16 0.29 -0.04 3.65 3.84 2ampB1 ARG 40 H -0.01 0.48 0.34 -0.55 8.46 8.72 2ampB1 ARG 40 HA -0.00 0.15 0.47 -0.75 4.34 4.20 2ampB1 ARG 40 HB2 -0.07 -0.07 -0.03 -0.04 1.90 1.69 2ampB1 ARG 40 HB3 -0.15 0.09 -0.21 -0.04 1.80 1.49 2ampB1 ARG 40 HG2 -0.10 0.11 0.24 -0.04 1.67 1.87 2ampB1 ARG 40 HG3 0.11 -0.08 -0.02 -0.04 1.67 1.64 2ampB1 ARG 40 HD2 -0.68 0.07 -0.07 -0.04 3.22 2.50 2ampB1 ARG 40 HD3 -0.47 -0.10 0.14 -0.04 3.22 2.75 2ampB1 HIS 41 H 0.07 0.11 -0.06 -0.55 8.41 7.98 2ampB1 HIS 41 HA 0.15 -0.06 0.17 -0.75 4.63 4.13 2ampB1 HIS 41 HB2 0.07 0.04 0.09 -0.04 3.26 3.41 2ampB1 HIS 41 HB3 0.20 -0.02 0.09 -0.04 3.20 3.42 2ampB1 HIS 41 HD2 0.14 -0.08 -0.02 -0.04 6.97 6.96 2ampB1 HIS 41 HE1 -0.02 -0.01 -0.05 -0.04 7.75 7.63 2ampB1 VAL 42 H -0.03 0.27 -1.05 -0.55 8.24 6.88 2ampB1 VAL 42 HA 0.18 0.02 0.28 -0.75 4.13 3.86 2ampB1 VAL 42 HB -0.01 -0.01 -0.13 -0.04 2.12 1.93 2ampB1 VAL 42 HG13 0.04 0.03 -0.12 -0.04 0.97 0.88 2ampB1 VAL 42 HG23 0.17 -0.00 -0.31 -0.04 0.95 0.76 2ampB1 ILE 43 H 0.13 0.47 -0.06 -0.55 8.25 8.24 2ampB1 ILE 43 HA 0.22 0.09 0.27 -0.75 4.18 4.02 2ampB1 ILE 43 HB 0.15 -0.12 -0.07 -0.04 1.89 1.81 2ampB1 ILE 43 HG12 -0.30 0.02 -0.08 -0.04 1.49 1.09 2ampB1 ILE 43 HG13 0.08 0.07 0.01 -0.04 1.21 1.34 2ampB1 ILE 43 HG23 0.03 -0.03 -0.31 -0.04 0.93 0.59 2ampB1 ILE 43 HD13 0.22 -0.03 -0.08 -0.04 0.88 0.95 2ampB1 ALA 44 H 0.09 -0.03 -0.34 -0.55 8.40 7.57 2ampB1 ALA 44 HA -0.02 -0.10 0.27 -0.75 4.34 3.74 2ampB1 ALA 44 HB3 -0.09 0.03 -0.05 -0.04 1.41 1.26 2ampB1 SER 45 H -0.00 0.05 0.14 -0.55 8.46 8.10 2ampB1 SER 45 HA 0.00 0.17 0.45 -0.75 4.49 4.36 2ampB1 SER 45 HB2 -0.02 -0.01 -0.00 -0.04 3.95 3.88 2ampB1 SER 45 HB3 -0.01 0.05 0.13 -0.04 3.93 4.06 2ampB1 ASP 46 H -0.03 0.10 -0.29 -0.55 8.40 7.63 2ampB1 ASP 46 HA -0.01 0.14 0.66 -0.75 4.63 4.66 2ampB1 ASP 46 HB2 -0.02 0.07 -0.13 -0.04 2.71 2.59 2ampB1 ASP 46 HB3 -0.02 0.02 0.08 -0.04 2.70 2.73 2ampB1 THR 47 H -0.02 0.25 0.01 -0.55 8.28 7.97 2ampB1 THR 47 HA -0.05 0.13 0.48 -0.75 4.39 4.19 2ampB1 THR 47 HB -0.14 -0.03 0.05 -0.04 4.32 4.16 2ampB1 THR 47 HG23 -0.02 0.03 -0.04 -0.04 1.22 1.15 2ampB1 THR 48 H -0.02 0.05 -0.25 -0.55 8.28 7.51 2ampB1 THR 48 HA -0.02 0.13 0.53 -0.75 4.39 4.28 2ampB1 THR 48 HB -0.01 0.02 0.17 -0.04 4.32 4.47 2ampB1 THR 48 HG23 -0.01 -0.01 0.00 -0.04 1.22 1.17 2ampB1 ARG 49 H -0.03 0.30 -0.93 -0.55 8.46 7.25 2ampB1 ARG 49 HA -0.01 0.03 0.47 -0.75 4.34 4.07 2ampB1 ARG 49 HB2 -0.02 -0.07 -0.24 -0.04 1.90 1.53 2ampB1 ARG 49 HB3 -0.01 0.05 -0.08 -0.04 1.80 1.71 2ampB1 ARG 49 HG2 -0.01 -0.07 0.06 -0.04 1.67 1.61 2ampB1 ARG 49 HG3 -0.01 0.35 0.35 -0.04 1.67 2.33 2ampB1 ARG 49 HD2 -0.01 0.02 -0.03 -0.04 3.22 3.16 2ampB1 ARG 49 HD3 -0.01 -0.09 -0.19 -0.04 3.22 2.89 2ampB1 VAL 50 H -0.00 0.10 0.05 -0.55 8.24 7.84 2ampB1 VAL 50 HA 0.01 -0.08 0.32 -0.75 4.13 3.62 2ampB1 VAL 50 HB 0.00 0.01 -0.05 -0.04 2.12 2.05 2ampB1 VAL 50 HG13 0.02 0.01 -0.03 -0.04 0.97 0.92 2ampB1 VAL 50 HG23 0.00 0.01 0.04 -0.04 0.95 0.96 2ampB1 ILE 51 H 0.01 0.04 0.20 -0.55 8.25 7.96 2ampB1 ILE 51 HA -0.10 0.30 1.07 -0.75 4.18 4.69 2ampB1 ILE 51 HB -0.09 -0.01 0.15 -0.04 1.89 1.90 2ampB1 ILE 51 HG12 -0.14 0.10 -0.02 -0.04 1.49 1.39 2ampB1 ILE 51 HG13 -0.06 0.01 -0.00 -0.04 1.21 1.12 2ampB1 ILE 51 HG23 -0.91 -0.06 -0.26 -0.04 0.93 -0.33 2ampB1 ILE 51 HD13 -0.06 0.05 0.06 -0.04 0.88 0.88 2ampB1 ASN 52 H -0.11 0.27 0.10 -0.55 8.53 8.25 2ampB1 ASN 52 HA 0.05 0.15 0.88 -0.75 4.76 5.08 2ampB1 ASN 52 HB2 0.00 0.05 0.02 -0.04 2.88 2.91 2ampB1 ASN 52 HB3 -0.02 0.02 0.23 -0.04 2.79 2.99 2ampB1 ASN 52 HD21 0.03 -0.01 -0.02 -0.04 7.03 6.98 2ampB1 ASN 52 HD22 0.02 0.04 -0.01 -0.04 7.74 7.75 2ampB1 TYR 53 H 0.30 0.20 -0.10 -0.55 8.29 8.14 2ampB1 TYR 53 HA 0.10 0.10 0.37 -0.75 4.56 4.38 2ampB1 TYR 53 HB2 0.04 0.02 0.16 -0.04 3.06 3.24 2ampB1 TYR 53 HB3 0.14 0.02 0.13 -0.04 2.98 3.23 2ampB1 TYR 53 HD2 -0.05 0.03 -0.06 -0.04 7.15 7.03 2ampB1 TYR 53 HE2 -0.02 0.01 -0.06 -0.04 6.85 6.74 2ampB1 GLU 54 H 0.40 0.17 0.05 -0.55 8.60 8.68 2ampB1 GLU 54 HA 0.15 0.07 0.33 -0.75 4.29 4.09 2ampB1 GLU 54 HB2 0.13 -0.03 -0.01 -0.04 2.09 2.14 2ampB1 GLU 54 HB3 0.08 0.01 0.01 -0.04 1.99 2.05 2ampB1 GLU 54 HG2 0.06 0.01 0.04 -0.04 2.34 2.41 2ampB1 GLU 54 HG3 0.07 0.01 0.02 -0.04 2.34 2.40 2ampB1 ASN 55 H 0.07 -0.02 -0.06 -0.55 8.53 7.97 2ampB1 ASN 55 HA 0.02 -0.02 0.40 -0.75 4.76 4.40 2ampB1 ASN 55 HB2 0.02 0.24 0.17 -0.04 2.88 3.27 2ampB1 ASN 55 HB3 0.01 -0.01 -0.01 -0.04 2.79 2.74 2ampB1 ASN 55 HD21 0.02 0.00 0.01 -0.04 7.03 7.02 2ampB1 ASN 55 HD22 0.03 -0.08 0.05 -0.04 7.74 7.70 2ampB1 GLU 56 H 0.05 0.86 -0.02 -0.55 8.60 8.94 2ampB1 GLU 56 HA 0.02 0.07 0.40 -0.75 4.29 4.03 2ampB1 GLU 56 HB2 0.07 -0.14 -0.09 -0.04 2.09 1.90 2ampB1 GLU 56 HB3 0.04 0.02 -0.15 -0.04 1.99 1.87 2ampB1 GLU 56 HG2 -0.03 0.26 0.23 -0.04 2.34 2.76 2ampB1 GLU 56 HG3 -0.14 -0.13 -0.03 -0.04 2.34 2.00 2ampB1 MET 57 H 0.08 0.14 -0.47 -0.55 8.47 7.68 2ampB1 MET 57 HA -0.07 0.07 0.37 -0.75 4.52 4.13 2ampB1 MET 57 HB2 -0.39 -0.12 0.01 -0.04 2.15 1.61 2ampB1 MET 57 HB3 -0.20 0.08 0.02 -0.04 2.03 1.89 2ampB1 MET 57 HG2 -0.73 -0.07 0.03 -0.04 2.63 1.82 2ampB1 MET 57 HG3 -0.26 0.05 0.02 -0.04 2.56 2.33 2ampB1 MET 57 HE3 -0.44 0.03 -0.04 -0.04 2.10 1.61 2ampB1 SER 58 H -0.01 0.36 -0.66 -0.55 8.46 7.60 2ampB1 SER 58 HA -0.05 0.06 0.53 -0.75 4.49 4.28 2ampB1 SER 58 HB2 -0.01 0.37 0.15 -0.04 3.95 4.42 2ampB1 SER 58 HB3 -0.02 -0.08 0.06 -0.04 3.93 3.85 2ampB1 SER 59 H -0.02 0.35 -0.31 -0.55 8.46 7.94 2ampB1 SER 59 HA -0.03 0.17 0.77 -0.75 4.49 4.65 2ampB1 SER 59 HB2 -0.02 -0.04 0.16 -0.04 3.95 4.00 2ampB1 SER 59 HB3 -0.01 0.01 -0.09 -0.04 3.93 3.79 2ampB1 VAL 60 H -0.05 0.28 -0.28 -0.55 8.24 7.63 2ampB1 VAL 60 HA 0.07 0.17 0.85 -0.75 4.13 4.47 2ampB1 VAL 60 HB -0.09 0.09 -0.04 -0.04 2.12 2.05 2ampB1 VAL 60 HG13 -0.12 -0.04 0.03 -0.04 0.97 0.81 2ampB1 VAL 60 HG23 -0.59 -0.02 -0.14 -0.04 0.95 0.16 2ampB1 ARG 61 H -0.09 0.26 -0.03 -0.55 8.46 8.04 2ampB1 ARG 61 HA -0.09 0.07 0.43 -0.75 4.34 4.00 2ampB1 ARG 61 HB2 -0.30 0.06 0.18 -0.04 1.90 1.80 2ampB1 ARG 61 HB3 -0.61 -0.08 0.13 -0.04 1.80 1.19 2ampB1 ARG 61 HG2 0.03 0.00 0.02 -0.04 1.67 1.68 2ampB1 ARG 61 HG3 -0.05 0.02 -0.03 -0.04 1.67 1.57 2ampB1 ARG 61 HD2 0.03 -0.00 0.02 -0.04 3.22 3.23 2ampB1 ARG 61 HD3 0.01 0.01 0.01 -0.04 3.22 3.21 2ampB1 LEU 62 H -0.09 0.34 0.33 -0.55 8.37 8.39 2ampB1 LEU 62 HA -0.19 0.03 0.26 -0.75 4.35 3.70 2ampB1 LEU 62 HB2 0.02 -0.06 0.15 -0.04 1.64 1.70 2ampB1 LEU 62 HB3 0.09 0.09 -0.04 -0.04 1.64 1.73 2ampB1 LEU 62 HG -0.00 0.03 0.08 -0.04 1.64 1.71 2ampB1 LEU 62 HD13 0.05 0.05 0.05 -0.04 0.93 1.04 2ampB1 LEU 62 HD23 0.31 -0.02 -0.12 -0.04 0.89 1.01 2ampB1 HIS 63 H 0.01 -0.04 -0.56 -0.55 8.41 7.27 2ampB1 HIS 63 HA 0.03 0.07 0.41 -0.75 4.63 4.38 2ampB1 HIS 63 HB2 -0.01 0.01 0.11 -0.04 3.26 3.33 2ampB1 HIS 63 HB3 -0.01 -0.07 0.07 -0.04 3.20 3.16 2ampB1 HIS 63 HD2 -0.02 -0.05 -0.01 -0.04 6.97 6.85 2ampB1 HIS 63 HE1 -0.04 -0.01 -0.04 -0.04 7.75 7.61 2ampB1 ASN 64 H -0.35 0.96 -0.07 -0.55 8.53 8.52 2ampB1 ASN 64 HA -0.06 0.06 0.57 -0.75 4.76 4.57 2ampB1 ASN 64 HB2 -0.23 0.05 0.04 -0.04 2.88 2.70 2ampB1 ASN 64 HB3 -0.28 -0.08 -0.03 -0.04 2.79 2.36 2ampB1 ASN 64 HD21 -0.10 -0.04 0.01 -0.04 7.03 6.86 2ampB1 ASN 64 HD22 -0.14 0.02 0.05 -0.04 7.74 7.63 2ampB1 PHE 65 H 0.09 0.17 -0.20 -0.55 8.34 7.84 2ampB1 PHE 65 HA 0.25 0.08 0.39 -0.75 4.62 4.58 2ampB1 PHE 65 HB2 0.03 0.26 0.11 -0.04 3.15 3.51 2ampB1 PHE 65 HB3 0.02 -0.07 -0.03 -0.04 3.06 2.93 2ampB1 PHE 65 HD2 0.04 0.12 0.03 -0.04 7.28 7.44 2ampB1 PHE 65 HE2 -0.32 -0.01 -0.12 -0.04 7.38 6.89 2ampB1 PHE 65 HZ -0.28 -0.06 -0.11 -0.04 7.32 6.82 2ampB1 SER 66 H 0.23 0.27 0.13 -0.55 8.46 8.54 2ampB1 SER 66 HA 0.07 0.13 0.66 -0.75 4.49 4.60 2ampB1 SER 66 HB2 0.05 0.17 -0.08 -0.04 3.95 4.06 2ampB1 SER 66 HB3 0.13 -0.13 0.05 -0.04 3.93 3.94 2ampB1 VAL 67 H 0.10 0.24 0.12 -0.55 8.24 8.14 2ampB1 VAL 67 HA -0.02 0.29 0.82 -0.75 4.13 4.47 2ampB1 VAL 67 HB -0.10 -0.01 -0.06 -0.04 2.12 1.91 2ampB1 VAL 67 HG13 -0.29 0.00 -0.23 -0.04 0.97 0.41 2ampB1 VAL 67 HG23 -0.15 -0.01 -0.21 -0.04 0.95 0.54 2ampB1 SER 68 H -0.12 0.14 0.12 -0.55 8.46 8.05 2ampB1 SER 68 HA -0.23 0.15 0.52 -0.75 4.49 4.17 2ampB1 SER 68 HB2 -0.67 0.05 -0.23 -0.04 3.95 3.07 2ampB1 SER 68 HB3 -0.73 0.01 -0.35 -0.04 3.93 2.81 2ampB1 LYS 69 H -0.22 0.61 0.18 -0.55 8.42 8.43 2ampB1 LYS 69 HA -0.09 0.15 0.89 -0.75 4.32 4.52 2ampB1 LYS 69 HB2 -0.22 -0.04 0.05 -0.04 1.87 1.61 2ampB1 LYS 69 HB3 -0.04 -0.06 0.21 -0.04 1.79 1.85 2ampB1 LYS 69 HG2 0.08 0.24 0.11 -0.04 1.46 1.85 2ampB1 LYS 69 HG3 0.22 -0.04 0.06 -0.04 1.46 1.67 2ampB1 LYS 69 HD2 0.03 -0.13 -0.15 -0.04 1.69 1.40 2ampB1 LYS 69 HD3 0.01 -0.01 0.03 -0.04 1.68 1.68 2ampB1 LYS 69 HE2 0.11 -0.07 0.09 -0.04 2.99 3.08 2ampB1 LYS 69 HE3 0.05 -0.13 0.02 -0.04 2.99 2.89 2ampB1 ASN 70 H -0.07 0.19 0.08 -0.55 8.53 8.19 2ampB1 ASN 70 HA -0.05 0.05 0.28 -0.75 4.76 4.28 2ampB1 ASN 70 HB2 -0.04 0.28 0.21 -0.04 2.88 3.29 2ampB1 ASN 70 HB3 -0.03 -0.12 0.20 -0.04 2.79 2.79 2ampB1 ASN 70 HD21 0.01 0.03 0.00 -0.04 7.03 7.03 2ampB1 ASN 70 HD22 -0.01 -0.01 0.05 -0.04 7.74 7.73 2ampB1 ASN 71 H -0.08 0.11 0.06 -0.55 8.53 8.08 2ampB1 ASN 71 HA -0.29 0.25 0.72 -0.75 4.76 4.69 2ampB1 ASN 71 HB2 -0.07 -0.03 0.06 -0.04 2.88 2.80 2ampB1 ASN 71 HB3 -0.06 -0.01 0.19 -0.04 2.79 2.86 2ampB1 ASN 71 HD21 0.03 -0.01 0.01 -0.04 7.03 7.02 2ampB1 ASN 71 HD22 -0.01 -0.02 0.06 -0.04 7.74 7.73 2ampB1 VAL 72 H -0.22 0.49 -0.83 -0.55 8.24 7.13 2ampB1 VAL 72 HA -0.07 0.06 0.81 -0.75 4.13 4.17 2ampB1 VAL 72 HB -0.06 0.09 0.05 -0.04 2.12 2.16 2ampB1 VAL 72 HG13 -0.04 -0.01 -0.01 -0.04 0.97 0.86 2ampB1 VAL 72 HG23 -0.01 -0.01 0.01 -0.04 0.95 0.90 2ampB1 PHE 73 H 0.06 0.07 0.06 -0.55 8.34 7.98 2ampB1 PHE 73 HA -0.08 0.24 0.74 -0.75 4.62 4.76 2ampB1 PHE 73 HB2 -0.02 -0.07 0.08 -0.04 3.15 3.09 2ampB1 PHE 73 HB3 -0.03 0.01 0.11 -0.04 3.06 3.11 2ampB1 PHE 73 HD2 -0.03 0.24 0.04 -0.04 7.28 7.50 2ampB1 PHE 73 HE2 -0.01 -0.01 -0.15 -0.04 7.38 7.17 2ampB1 PHE 73 HZ 0.00 -0.02 -0.08 -0.04 7.32 7.17 2ampB1 LEU 74 H 0.22 0.46 0.26 -0.55 8.37 8.76 2ampB1 LEU 74 HA -0.00 0.10 0.63 -0.75 4.35 4.33 2ampB1 LEU 74 HB2 -0.15 -0.06 -0.17 -0.04 1.64 1.23 2ampB1 LEU 74 HB3 -0.14 -0.06 -0.07 -0.04 1.64 1.33 2ampB1 LEU 74 HG -0.29 -0.02 -0.54 -0.04 1.64 0.76 2ampB1 LEU 74 HD13 -0.90 -0.01 -0.22 -0.04 0.93 -0.24 2ampB1 LEU 74 HD23 -0.23 0.11 -0.10 -0.04 0.89 0.63 2ampB1 GLY 75 H 0.01 0.12 0.10 -0.55 8.43 8.12 2ampB1 GLY 75 HA2 0.02 0.21 0.80 -0.51 4.01 4.53 2ampB1 GLY 75 HA3 0.02 0.04 0.29 -0.51 4.01 3.84 2ampB1 VAL 76 H 0.05 0.22 0.13 -0.55 8.24 8.10 2ampB1 VAL 76 HA 0.01 0.13 0.78 -0.75 4.13 4.30 2ampB1 VAL 76 HB 0.15 0.03 -0.01 -0.04 2.12 2.26 2ampB1 VAL 76 HG13 0.08 -0.00 -0.12 -0.04 0.97 0.89 2ampB1 VAL 76 HG23 0.11 0.00 -0.07 -0.04 0.95 0.95 2ampB1 VAL 77 H 0.03 0.76 0.31 -0.55 8.24 8.79 2ampB1 VAL 77 HA 0.04 0.14 0.89 -0.75 4.13 4.45 2ampB1 VAL 77 HB 0.03 -0.04 0.03 -0.04 2.12 2.10 2ampB1 VAL 77 HG13 0.03 0.04 -0.29 -0.04 0.97 0.71 2ampB1 VAL 77 HG23 0.03 0.10 0.13 -0.04 0.95 1.16 2ampB1 SER 78 H 0.03 0.06 0.23 -0.55 8.46 8.23 2ampB1 SER 78 HA 0.03 0.26 0.85 -0.75 4.49 4.89 2ampB1 SER 78 HB2 0.01 -0.05 0.15 -0.04 3.95 4.03 2ampB1 SER 78 HB3 0.02 0.02 0.04 -0.04 3.93 3.97 2ampB1 ALA 79 H 0.02 0.19 0.09 -0.55 8.40 8.14 2ampB1 ALA 79 HA 0.02 0.36 0.63 -0.75 4.34 4.59 2ampB1 ALA 79 HB3 0.11 0.04 0.02 -0.04 1.41 1.54 2ampB1 ARG 80 H 0.03 0.26 0.18 -0.55 8.46 8.37 2ampB1 ARG 80 HA -0.01 0.18 1.09 -0.75 4.34 4.85 2ampB1 ARG 80 HB2 0.01 0.07 0.06 -0.04 1.90 2.00 2ampB1 ARG 80 HB3 0.01 -0.06 -0.12 -0.04 1.80 1.59 2ampB1 ARG 80 HG2 0.02 -0.10 0.07 -0.04 1.67 1.62 2ampB1 ARG 80 HG3 0.02 0.13 -0.21 -0.04 1.67 1.58 2ampB1 ARG 80 HD2 0.00 0.03 -0.04 -0.04 3.22 3.17 2ampB1 ARG 80 HD3 0.01 -0.04 -0.06 -0.04 3.22 3.09 2ampB1 TYR 81 H 0.07 0.12 0.16 -0.55 8.29 8.09 2ampB1 TYR 81 HA -0.02 0.11 0.50 -0.75 4.56 4.40 2ampB1 TYR 81 HB2 -0.01 -0.04 0.19 -0.04 3.06 3.15 2ampB1 TYR 81 HB3 -0.04 0.04 0.01 -0.04 2.98 2.95 2ampB1 TYR 81 HD2 0.00 0.00 0.00 -0.04 7.15 7.12 2ampB1 TYR 81 HE2 0.09 -0.10 -0.01 -0.04 6.85 6.78 2ampB1 LYS 82 H 0.01 0.75 0.19 -0.55 8.42 8.81 2ampB1 LYS 82 HA -0.00 0.07 0.69 -0.75 4.32 4.32 2ampB1 LYS 82 HB2 -0.00 0.04 -0.07 -0.04 1.87 1.80 2ampB1 LYS 82 HB3 -0.01 -0.01 0.05 -0.04 1.79 1.77 2ampB1 LYS 82 HG2 -0.05 -0.08 -0.32 -0.04 1.46 0.97 2ampB1 LYS 82 HG3 -0.03 -0.01 -0.07 -0.04 1.46 1.31 2ampB1 LYS 82 HD2 -0.03 -0.01 -0.05 -0.04 1.69 1.56 2ampB1 LYS 82 HD3 -0.05 0.00 -0.09 -0.04 1.68 1.51 2ampB1 LYS 82 HE2 -0.06 -0.02 -0.13 -0.04 2.99 2.74 2ampB1 LYS 82 HE3 -0.04 0.00 -0.04 -0.04 2.99 2.87 2ampB1 GLY 83 H -0.06 0.10 0.06 -0.55 8.43 7.99 2ampB1 GLY 83 HA2 -0.12 -0.00 0.38 -0.51 4.01 3.76 2ampB1 GLY 83 HA3 -0.12 0.18 0.64 -0.51 4.01 4.20 2ampB1 VAL 84 H -0.19 0.51 0.33 -0.55 8.24 8.34 2ampB1 VAL 84 HA -0.33 0.07 0.56 -0.75 4.13 3.67 2ampB1 VAL 84 HB -0.46 -0.07 0.11 -0.04 2.12 1.66 2ampB1 VAL 84 HG13 -0.33 -0.00 0.06 -0.04 0.97 0.66 2ampB1 VAL 84 HG23 -0.29 0.03 0.00 -0.04 0.95 0.65 2ampB1 ASN 85 H -0.10 0.42 -0.20 -0.55 8.53 8.10 2ampB1 ASN 85 HA -0.01 0.10 0.79 -0.75 4.76 4.89 2ampB1 ASN 85 HB2 -0.03 0.12 0.04 -0.04 2.88 2.98 2ampB1 ASN 85 HB3 -0.00 0.02 -0.01 -0.04 2.79 2.75 2ampB1 ASN 85 HD21 0.03 -0.03 -0.21 -0.04 7.03 6.79 2ampB1 ASN 85 HD22 0.07 0.05 -0.29 -0.04 7.74 7.53 2ampB1 LEU 86 H -0.03 0.82 0.30 -0.55 8.37 8.91 2ampB1 LEU 86 HA 0.08 0.09 0.84 -0.75 4.35 4.60 2ampB1 LEU 86 HB2 0.07 -0.10 -0.05 -0.04 1.64 1.52 2ampB1 LEU 86 HB3 -0.03 0.17 -0.09 -0.04 1.64 1.65 2ampB1 LEU 86 HG -0.07 0.03 -0.50 -0.04 1.64 1.06 2ampB1 LEU 86 HD13 0.12 -0.07 -0.07 -0.04 0.93 0.87 2ampB1 LEU 86 HD23 0.00 0.00 -0.13 -0.04 0.89 0.72 2ampB1 VAL 87 H 0.05 0.27 0.13 -0.55 8.24 8.13 2ampB1 VAL 87 HA -0.01 0.26 0.95 -0.75 4.13 4.58 2ampB1 VAL 87 HB 0.01 -0.17 0.08 -0.04 2.12 2.00 2ampB1 VAL 87 HG13 0.00 -0.01 -0.12 -0.04 0.97 0.80 2ampB1 VAL 87 HG23 0.01 0.06 -0.14 -0.04 0.95 0.84 2ampB1 LEU 88 H -0.03 0.24 0.14 -0.55 8.37 8.18 2ampB1 LEU 88 HA -0.04 0.25 0.95 -0.75 4.35 4.76 2ampB1 LEU 88 HB2 -0.14 0.05 0.09 -0.04 1.64 1.60 2ampB1 LEU 88 HB3 -0.15 0.02 -0.10 -0.04 1.64 1.36 2ampB1 LEU 88 HG -0.24 -0.04 -0.49 -0.04 1.64 0.82 2ampB1 LEU 88 HD13 -0.72 -0.00 -0.16 -0.04 0.93 0.01 2ampB1 LEU 88 HD23 -0.19 0.05 0.08 -0.04 0.89 0.78 2ampB1 LYS 89 H 0.01 0.22 -0.03 -0.55 8.42 8.07 2ampB1 LYS 89 HA 0.04 0.29 0.82 -0.75 4.32 4.71 2ampB1 LYS 89 HB2 0.02 -0.27 0.22 -0.04 1.87 1.80 2ampB1 LYS 89 HB3 0.03 0.09 0.07 -0.04 1.79 1.93 2ampB1 LYS 89 HG2 0.02 -0.06 -0.09 -0.04 1.46 1.30 2ampB1 LYS 89 HG3 0.02 -0.02 -0.00 -0.04 1.46 1.41 2ampB1 LYS 89 HD2 0.03 0.02 0.01 -0.04 1.69 1.70 2ampB1 LYS 89 HD3 0.04 0.21 -0.05 -0.04 1.68 1.84 2ampB1 LYS 89 HE2 0.02 -0.03 -0.08 -0.04 2.99 2.86 2ampB1 LYS 89 HE3 0.02 -0.02 -0.09 -0.04 2.99 2.85 2ampB1 VAL 90 H 0.08 0.72 0.29 -0.55 8.24 8.79 2ampB1 VAL 90 HA 0.01 0.21 0.92 -0.75 4.13 4.51 2ampB1 VAL 90 HB 0.07 -0.09 -0.18 -0.04 2.12 1.88 2ampB1 VAL 90 HG13 -0.12 0.03 -0.21 -0.04 0.97 0.64 2ampB1 VAL 90 HG23 0.06 0.06 -0.27 -0.04 0.95 0.76 2ampB1 ASN 91 H 0.03 0.56 0.18 -0.55 8.53 8.75 2ampB1 ASN 91 HA 0.05 0.11 0.61 -0.75 4.76 4.78 2ampB1 ASN 91 HB2 0.04 -0.01 0.16 -0.04 2.88 3.03 2ampB1 ASN 91 HB3 0.03 0.03 -0.02 -0.04 2.79 2.79 2ampB1 ASN 91 HD21 0.02 -0.02 0.05 -0.04 7.03 7.05 2ampB1 ASN 91 HD22 0.03 0.04 0.01 -0.04 7.74 7.78 2ampB1 GLN 92 H 0.15 0.21 -0.70 -0.55 8.47 7.59 2ampB1 GLN 92 HA 0.12 0.01 0.42 -0.75 4.36 4.15 2ampB1 GLN 92 HB2 0.09 0.08 -0.37 -0.04 2.15 1.91 2ampB1 GLN 92 HB3 0.19 -0.01 -0.00 -0.04 2.02 2.16 2ampB1 GLN 92 HG2 0.21 0.13 -0.08 -0.04 2.40 2.62 2ampB1 GLN 92 HG3 0.11 -0.02 0.09 -0.04 2.39 2.52 2ampB1 GLN 92 HE21 0.09 -0.00 -0.00 -0.04 6.97 7.01 2ampB1 GLN 92 HE22 0.10 -0.03 0.00 -0.04 7.69 7.72 2ampB1 VAL 93 H 0.11 0.06 0.02 -0.55 8.24 7.88 2ampB1 VAL 93 HA 0.08 -0.01 0.07 -0.75 4.13 3.51 2ampB1 VAL 93 HB 0.01 0.02 -0.04 -0.04 2.12 2.08 2ampB1 VAL 93 HG13 -0.09 -0.01 -0.19 -0.04 0.97 0.63 2ampB1 VAL 93 HG23 0.03 -0.02 0.05 -0.04 0.95 0.96 2ampB1 ASN 94 H -0.47 0.08 -0.07 -0.55 8.53 7.52 2ampB1 ASN 94 HA -1.05 0.26 0.63 -0.75 4.76 3.85 2ampB1 ASN 94 HB2 -4.14 0.16 -0.03 -0.04 2.88 -1.18 2ampB1 ASN 94 HB3 -1.16 -0.16 0.11 -0.04 2.79 1.53 2ampB1 ASN 94 HD21 -0.35 -0.01 -0.30 -0.04 7.03 6.33 2ampB1 ASN 94 HD22 -0.73 0.41 0.07 -0.04 7.74 7.45 2ampB1 PRO 95 HA -0.12 0.04 0.37 -0.51 4.44 4.22 2ampB1 PRO 95 HB2 -0.04 0.02 0.00 -0.04 2.28 2.22 2ampB1 PRO 95 HB3 -0.03 0.00 0.09 -0.04 2.02 2.05 2ampB1 PRO 95 HG2 -0.03 0.02 0.06 -0.04 2.03 2.04 2ampB1 PRO 95 HG3 0.04 0.04 0.07 -0.04 2.03 2.14 2ampB1 PRO 95 HD2 -0.10 0.13 0.27 -0.04 3.68 3.94 2ampB1 PRO 95 HD3 -0.00 0.28 0.20 -0.04 3.65 4.08 2ampB1 ASN 96 H -0.29 0.10 -0.45 -0.55 8.53 7.34 2ampB1 ASN 96 HA -0.10 0.20 0.74 -0.75 4.76 4.84 2ampB1 ASN 96 HB2 -0.12 0.06 -0.08 -0.04 2.88 2.70 2ampB1 ASN 96 HB3 -0.06 0.00 0.10 -0.04 2.79 2.79 2ampB1 ASN 96 HD21 0.03 -0.01 -0.03 -0.04 7.03 6.98 2ampB1 ASN 96 HD22 0.03 0.11 -0.02 -0.04 7.74 7.82 2ampB1 THR 97 H -0.26 0.34 -0.29 -0.55 8.28 7.52 2ampB1 THR 97 HA -0.22 0.12 0.46 -0.75 4.39 4.00 2ampB1 THR 97 HB -0.15 -0.00 0.11 -0.04 4.32 4.24 2ampB1 THR 97 HG23 -0.10 -0.00 -0.01 -0.04 1.22 1.06 2ampB1 PRO 98 HA -0.02 0.07 0.81 -0.51 4.44 4.79 2ampB1 PRO 98 HB2 -0.00 -0.01 0.01 -0.04 2.28 2.23 2ampB1 PRO 98 HB3 -0.03 0.11 0.17 -0.04 2.02 2.23 2ampB1 PRO 98 HG2 0.06 -0.11 0.08 -0.04 2.03 2.03 2ampB1 PRO 98 HG3 0.06 0.16 0.12 -0.04 2.03 2.33 2ampB1 PRO 98 HD2 -0.15 -0.04 0.30 -0.04 3.68 3.75 2ampB1 PRO 98 HD3 -0.08 0.37 0.29 -0.04 3.65 4.19 2ampB1 GLU 99 H -0.00 0.11 0.17 -0.55 8.60 8.33 2ampB1 GLU 99 HA 0.01 0.00 0.47 -0.75 4.29 4.02 2ampB1 GLU 99 HB2 -0.03 -0.03 0.22 -0.04 2.09 2.21 2ampB1 GLU 99 HB3 -0.07 0.03 0.02 -0.04 1.99 1.92 2ampB1 GLU 99 HG2 -0.06 -0.00 0.08 -0.04 2.34 2.33 2ampB1 GLU 99 HG3 -0.03 0.02 0.08 -0.04 2.34 2.37 2ampB1 HIS 100 H -0.36 0.15 0.29 -0.55 8.41 7.95 2ampB1 HIS 100 HA -0.21 0.10 0.89 -0.75 4.63 4.66 2ampB1 HIS 100 HB2 -0.20 -0.03 0.17 -0.04 3.26 3.15 2ampB1 HIS 100 HB3 -0.06 0.07 -0.30 -0.04 3.20 2.87 2ampB1 HIS 100 HD2 -0.85 -0.12 -0.21 -0.04 6.97 5.75 2ampB1 HIS 100 HE1 -0.04 -0.07 -0.01 -0.04 7.75 7.59 2ampB1 LYS 101 H -0.18 0.56 0.40 -0.55 8.42 8.65 2ampB1 LYS 101 HA -0.16 0.03 0.65 -0.75 4.32 4.09 2ampB1 LYS 101 HB2 -0.50 -0.03 -0.13 -0.04 1.87 1.17 2ampB1 LYS 101 HB3 0.04 0.06 -0.01 -0.04 1.79 1.83 2ampB1 LYS 101 HG2 -0.05 -0.05 0.15 -0.04 1.46 1.47 2ampB1 LYS 101 HG3 -0.22 0.33 -0.03 -0.04 1.46 1.50 2ampB1 LYS 101 HD2 -0.18 -0.00 -0.08 -0.04 1.69 1.39 2ampB1 LYS 101 HD3 -0.06 -0.02 -0.03 -0.04 1.68 1.52 2ampB1 LYS 101 HE2 -0.06 0.02 0.03 -0.04 2.99 2.94 2ampB1 LYS 101 HE3 -0.03 -0.02 -0.00 -0.04 2.99 2.89 2ampB1 PHE 102 H 0.42 0.13 0.20 -0.55 8.34 8.53 2ampB1 PHE 102 HA 0.32 0.17 0.97 -0.75 4.62 5.33 2ampB1 PHE 102 HB2 0.16 -0.02 0.06 -0.04 3.15 3.31 2ampB1 PHE 102 HB3 0.26 -0.00 0.19 -0.04 3.06 3.46 2ampB1 PHE 102 HD2 0.12 -0.01 0.05 -0.04 7.28 7.41 2ampB1 PHE 102 HE2 -0.29 0.02 -0.04 -0.04 7.38 7.03 2ampB1 PHE 102 HZ -0.12 0.02 -0.06 -0.04 7.32 7.12 2ampB1 LYS 103 H 0.40 0.54 0.37 -0.55 8.42 9.18 2ampB1 LYS 103 HA 0.16 0.06 0.41 -0.75 4.32 4.19 2ampB1 LYS 103 HB2 -0.01 -0.10 0.21 -0.04 1.87 1.93 2ampB1 LYS 103 HB3 0.06 0.19 -0.04 -0.04 1.79 1.97 2ampB1 LYS 103 HG2 0.09 -0.02 -0.35 -0.04 1.46 1.14 2ampB1 LYS 103 HG3 -0.03 -0.00 -0.31 -0.04 1.46 1.08 2ampB1 LYS 103 HD2 -1.22 0.05 -0.17 -0.04 1.69 0.31 2ampB1 LYS 103 HD3 -0.69 -0.03 -0.20 -0.04 1.68 0.72 2ampB1 LYS 103 HE2 -0.22 0.01 -0.09 -0.04 2.99 2.65 2ampB1 LYS 103 HE3 -0.21 0.00 0.01 -0.04 2.99 2.75 2ampB1 SER 104 H 0.05 0.33 0.22 -0.55 8.46 8.51 2ampB1 SER 104 HA 0.19 0.18 0.82 -0.75 4.49 4.93 2ampB1 SER 104 HB2 0.07 -0.01 -0.03 -0.04 3.95 3.95 2ampB1 SER 104 HB3 0.14 0.06 0.07 -0.04 3.93 4.16 2ampB1 ILE 105 H 0.28 0.20 0.13 -0.55 8.25 8.31 2ampB1 ILE 105 HA -0.01 0.13 0.88 -0.75 4.18 4.44 2ampB1 ILE 105 HB -0.26 -0.03 0.03 -0.04 1.89 1.59 2ampB1 ILE 105 HG12 -0.18 -0.12 -0.25 -0.04 1.49 0.90 2ampB1 ILE 105 HG13 -0.85 0.01 -0.19 -0.04 1.21 0.14 2ampB1 ILE 105 HG23 0.03 0.13 -0.09 -0.04 0.93 0.96 2ampB1 ILE 105 HD13 -0.07 0.03 -0.23 -0.04 0.88 0.57 2ampB1 LYS 106 H 0.02 0.10 0.14 -0.55 8.42 8.13 2ampB1 LYS 106 HA 0.07 0.10 0.53 -0.75 4.32 4.26 2ampB1 LYS 106 HB2 0.03 0.02 0.03 -0.04 1.87 1.90 2ampB1 LYS 106 HB3 0.04 -0.00 0.14 -0.04 1.79 1.92 2ampB1 LYS 106 HG2 0.04 0.02 -0.05 -0.04 1.46 1.43 2ampB1 LYS 106 HG3 0.02 0.01 0.07 -0.04 1.46 1.51 2ampB1 LYS 106 HD2 0.02 -0.01 0.02 -0.04 1.69 1.68 2ampB1 LYS 106 HD3 0.03 0.00 0.02 -0.04 1.68 1.69 2ampB1 LYS 106 HE2 0.01 -0.01 0.01 -0.04 2.99 2.97 2ampB1 LYS 106 HE3 0.02 0.01 -0.00 -0.04 2.99 2.97 2ampB1 ALA 107 H 0.04 0.10 0.15 -0.55 8.40 8.14 2ampB1 ALA 107 HA 0.02 0.12 0.40 -0.75 4.34 4.12 2ampB1 ALA 107 HB3 0.03 0.01 0.03 -0.04 1.41 1.44 2ampB1 GLY 108 H 0.01 0.95 0.32 -0.55 8.43 9.18 2ampB1 GLY 108 HA2 0.01 0.04 0.33 -0.51 4.01 3.88 2ampB1 GLY 108 HA3 0.03 -0.01 0.53 -0.51 4.01 4.04 2ampB1 GLU 109 H 0.03 0.33 -0.18 -0.55 8.60 8.23 2ampB1 GLU 109 HA 0.03 0.08 0.88 -0.75 4.29 4.52 2ampB1 GLU 109 HB2 0.03 0.20 0.07 -0.04 2.09 2.35 2ampB1 GLU 109 HB3 0.03 0.08 -0.05 -0.04 1.99 2.01 2ampB1 GLU 109 HG2 0.01 -0.02 0.00 -0.04 2.34 2.30 2ampB1 GLU 109 HG3 0.02 0.03 -0.21 -0.04 2.34 2.14 2ampB1 SER 110 H 0.01 0.05 0.15 -0.55 8.46 8.12 2ampB1 SER 110 HA -0.05 0.23 0.69 -0.75 4.49 4.61 2ampB1 SER 110 HB2 -0.02 -0.14 0.13 -0.04 3.95 3.88 2ampB1 SER 110 HB3 -0.09 0.06 0.08 -0.04 3.93 3.94 2ampB1 PHE 111 H -0.25 0.43 0.16 -0.55 8.34 8.13 2ampB1 PHE 111 HA -0.14 0.06 0.42 -0.75 4.62 4.21 2ampB1 PHE 111 HB2 -0.09 0.04 -0.07 -0.04 3.15 2.98 2ampB1 PHE 111 HB3 -0.08 0.11 -0.37 -0.04 3.06 2.69 2ampB1 PHE 111 HD2 -0.09 0.17 -0.28 -0.04 7.28 7.03 2ampB1 PHE 111 HE2 -0.22 -0.02 -0.24 -0.04 7.38 6.85 2ampB1 PHE 111 HZ -0.74 -0.02 -0.24 -0.04 7.32 6.28 2ampB1 ASN 112 H -0.17 0.56 0.32 -0.55 8.53 8.70 2ampB1 ASN 112 HA -0.31 0.11 0.85 -0.75 4.76 4.66 2ampB1 ASN 112 HB2 -1.38 0.03 0.08 -0.04 2.88 1.56 2ampB1 ASN 112 HB3 -0.40 0.07 -0.00 -0.04 2.79 2.41 2ampB1 ASN 112 HD21 -0.23 -0.06 0.05 -0.04 7.03 6.75 2ampB1 ASN 112 HD22 -0.76 0.16 -0.04 -0.04 7.74 7.06 2ampB1 ILE 113 H -0.33 0.69 0.34 -0.55 8.25 8.40 2ampB1 ILE 113 HA 0.08 0.21 1.01 -0.75 4.18 4.73 2ampB1 ILE 113 HB -0.66 0.15 0.04 -0.04 1.89 1.38 2ampB1 ILE 113 HG12 0.09 0.04 -0.16 -0.04 1.49 1.42 2ampB1 ILE 113 HG13 -0.47 -0.01 -0.37 -0.04 1.21 0.32 2ampB1 ILE 113 HG23 -0.26 -0.04 -0.32 -0.04 0.93 0.27 2ampB1 ILE 113 HD13 0.03 -0.02 -0.20 -0.04 0.88 0.65 2ampB1 LEU 114 H 0.17 0.62 0.17 -0.55 8.37 8.78 2ampB1 LEU 114 HA -0.02 0.34 1.05 -0.75 4.35 4.96 2ampB1 LEU 114 HB2 0.16 -0.05 -0.05 -0.04 1.64 1.66 2ampB1 LEU 114 HB3 0.15 0.01 0.21 -0.04 1.64 1.97 2ampB1 LEU 114 HG 0.08 -0.00 -0.14 -0.04 1.64 1.53 2ampB1 LEU 114 HD13 0.05 0.05 -0.06 -0.04 0.93 0.92 2ampB1 LEU 114 HD23 -0.01 -0.00 -0.10 -0.04 0.89 0.73 2ampB1 ALA 115 H -0.02 0.26 0.07 -0.55 8.40 8.17 2ampB1 ALA 115 HA 0.31 0.01 0.54 -0.75 4.34 4.44 2ampB1 ALA 115 HB3 0.23 0.00 0.03 -0.04 1.41 1.63 2ampB1 CYS 116 H 0.19 0.19 0.28 -0.55 8.50 8.61 2ampB1 CYS 116 HA 0.14 0.19 0.98 -0.75 4.58 5.13 2ampB1 CYS 116 HB2 0.10 -0.04 -0.14 -0.04 2.97 2.85 2ampB1 CYS 116 HB3 0.09 0.05 -0.39 -0.04 2.97 2.68 2ampB1 TYR 117 H 0.19 0.72 0.04 -0.55 8.29 8.69 2ampB1 TYR 117 HA 0.06 0.36 0.86 -0.75 4.56 5.09 2ampB1 TYR 117 HB2 0.06 -0.04 -0.21 -0.04 3.06 2.82 2ampB1 TYR 117 HB3 0.04 0.02 0.08 -0.04 2.98 3.08 2ampB1 TYR 117 HD2 0.04 0.01 -0.13 -0.04 7.15 7.03 2ampB1 TYR 117 HE2 0.03 0.01 -0.04 -0.04 6.85 6.81 2ampB1 GLU 118 H -0.15 0.25 -0.04 -0.55 8.60 8.11 2ampB1 GLU 118 HA -0.07 0.12 0.25 -0.75 4.29 3.83 2ampB1 GLU 118 HB2 0.12 0.14 0.10 -0.04 2.09 2.40 2ampB1 GLU 118 HB3 -0.01 0.01 0.10 -0.04 1.99 2.05 2ampB1 GLU 118 HG2 -0.30 0.03 -0.09 -0.04 2.34 1.94 2ampB1 GLU 118 HG3 -1.00 -0.04 -0.28 -0.04 2.34 0.98 2ampB1 GLY 119 H 0.01 0.13 -0.19 -0.55 8.43 7.83 2ampB1 GLY 119 HA2 0.01 0.12 -0.14 -0.51 4.01 3.49 2ampB1 GLY 119 HA3 -0.00 0.08 0.17 -0.51 4.01 3.75 2ampB1 CYS 120 H 0.09 0.39 -0.80 -0.55 8.50 7.63 2ampB1 CYS 120 HA 0.05 0.25 0.86 -0.75 4.58 4.98 2ampB1 CYS 120 HB2 0.10 0.12 0.07 -0.04 2.97 3.23 2ampB1 CYS 120 HB3 0.06 0.05 -0.09 -0.04 2.97 2.96 2ampB1 PRO 121 HA 0.09 0.07 0.55 -0.51 4.44 4.63 2ampB1 PRO 121 HB2 0.04 -0.02 -0.00 -0.04 2.28 2.26 2ampB1 PRO 121 HB3 0.05 -0.01 -0.02 -0.04 2.02 2.00 2ampB1 PRO 121 HG2 0.04 -0.01 0.08 -0.04 2.03 2.10 2ampB1 PRO 121 HG3 0.05 0.06 -0.05 -0.04 2.03 2.05 2ampB1 PRO 121 HD2 0.04 0.04 0.22 -0.04 3.68 3.94 2ampB1 PRO 121 HD3 0.05 0.41 0.28 -0.04 3.65 4.35 2ampB1 GLY 122 H 0.10 0.67 0.39 -0.55 8.43 9.04 2ampB1 GLY 122 HA2 0.05 0.20 0.91 -0.51 4.01 4.66 2ampB1 GLY 122 HA3 0.08 -0.02 0.24 -0.51 4.01 3.80 2ampB1 SER 123 H 0.09 0.32 0.24 -0.55 8.46 8.57 2ampB1 SER 123 HA 0.08 0.16 0.69 -0.75 4.49 4.66 2ampB1 SER 123 HB2 0.20 -0.01 -0.03 -0.04 3.95 4.07 2ampB1 SER 123 HB3 0.09 0.14 -0.20 -0.04 3.93 3.93 2ampB1 VAL 124 H 0.10 0.23 0.13 -0.55 8.24 8.15 2ampB1 VAL 124 HA -0.10 0.34 1.22 -0.75 4.13 4.83 2ampB1 VAL 124 HB 0.05 -0.02 0.10 -0.04 2.12 2.20 2ampB1 VAL 124 HG13 0.06 -0.01 -0.19 -0.04 0.97 0.80 2ampB1 VAL 124 HG23 0.06 -0.02 -0.23 -0.04 0.95 0.71 2ampB1 TYR 125 H -0.60 0.60 0.31 -0.55 8.29 8.05 2ampB1 TYR 125 HA -0.06 0.14 0.75 -0.75 4.56 4.64 2ampB1 TYR 125 HB2 -0.11 0.13 0.02 -0.04 3.06 3.06 2ampB1 TYR 125 HB3 -0.07 0.05 -0.09 -0.04 2.98 2.83 2ampB1 TYR 125 HD2 -0.14 0.05 -0.33 -0.04 7.15 6.69 2ampB1 TYR 125 HE2 -0.27 -0.06 -0.17 -0.04 6.85 6.31 2ampB1 GLY 126 H -0.02 0.26 0.03 -0.55 8.43 8.15 2ampB1 GLY 126 HA2 -0.24 -0.01 0.83 -0.51 4.01 4.08 2ampB1 GLY 126 HA3 -0.15 0.16 0.38 -0.51 4.01 3.89 2ampB1 VAL 127 H -0.44 0.87 0.40 -0.55 8.24 8.51 2ampB1 VAL 127 HA -0.23 0.21 0.78 -0.75 4.13 4.13 2ampB1 VAL 127 HB -0.30 -0.16 0.09 -0.04 2.12 1.71 2ampB1 VAL 127 HG13 -0.14 0.03 -0.34 -0.04 0.97 0.47 2ampB1 VAL 127 HG23 -1.16 0.03 -0.19 -0.04 0.95 -0.41 2ampB1 ASN 128 H -0.26 0.19 0.10 -0.55 8.53 8.02 2ampB1 ASN 128 HA -0.08 0.19 0.60 -0.75 4.76 4.71 2ampB1 ASN 128 HB2 -0.16 0.15 -0.46 -0.04 2.88 2.37 2ampB1 ASN 128 HB3 -0.10 -0.08 -0.12 -0.04 2.79 2.44 2ampB1 ASN 128 HD21 -0.01 0.03 -0.15 -0.04 7.03 6.86 2ampB1 ASN 128 HD22 -0.06 -0.08 -0.03 -0.04 7.74 7.53 2ampB1 MET 129 H 0.06 0.47 0.10 -0.55 8.47 8.55 2ampB1 MET 129 HA 0.03 0.10 0.52 -0.75 4.52 4.41 2ampB1 MET 129 HB2 0.04 0.07 0.03 -0.04 2.15 2.25 2ampB1 MET 129 HB3 0.02 -0.17 0.25 -0.04 2.03 2.09 2ampB1 MET 129 HG2 -0.06 0.14 -0.35 -0.04 2.63 2.32 2ampB1 MET 129 HG3 -0.00 0.09 -0.19 -0.04 2.56 2.42 2ampB1 MET 129 HE3 -0.70 0.03 -0.10 -0.04 2.10 1.28 2ampB1 ARG 130 H 0.01 0.52 0.34 -0.55 8.46 8.78 2ampB1 ARG 130 HA -0.02 0.09 0.49 -0.75 4.34 4.14 2ampB1 ARG 130 HB2 0.01 -0.16 0.07 -0.04 1.90 1.77 2ampB1 ARG 130 HB3 -0.02 -0.05 0.14 -0.04 1.80 1.83 2ampB1 ARG 130 HG2 -0.03 -0.01 0.05 -0.04 1.67 1.64 2ampB1 ARG 130 HG3 -0.01 0.57 0.36 -0.04 1.67 2.56 2ampB1 ARG 130 HD2 -0.02 -0.09 -0.26 -0.04 3.22 2.81 2ampB1 ARG 130 HD3 -0.01 -0.06 -0.10 -0.04 3.22 3.01 2ampB1 SER 131 H -0.02 0.16 0.21 -0.55 8.46 8.26 2ampB1 SER 131 HA 0.01 0.05 0.41 -0.75 4.49 4.22 2ampB1 SER 131 HB2 -0.00 0.06 0.14 -0.04 3.95 4.10 2ampB1 SER 131 HB3 -0.03 0.25 0.31 -0.04 3.93 4.42 2ampB1 GLN 132 H 0.03 0.01 -0.13 -0.55 8.47 7.84 2ampB1 GLN 132 HA 0.07 0.16 0.53 -0.75 4.36 4.37 2ampB1 GLN 132 HB2 0.09 -0.16 0.01 -0.04 2.15 2.05 2ampB1 GLN 132 HB3 0.18 0.11 0.20 -0.04 2.02 2.46 2ampB1 GLN 132 HG2 0.02 -0.22 0.04 -0.04 2.40 2.21 2ampB1 GLN 132 HG3 0.05 0.42 -0.05 -0.04 2.39 2.77 2ampB1 GLN 132 HE21 0.01 -0.05 -0.08 -0.04 6.97 6.81 2ampB1 GLN 132 HE22 0.01 -0.18 -0.12 -0.04 7.69 7.36 2ampB1 GLY 133 H 0.07 0.40 -0.56 -0.55 8.43 7.80 2ampB1 GLY 133 HA2 0.09 0.03 0.23 -0.51 4.01 3.85 2ampB1 GLY 133 HA3 0.20 0.03 0.43 -0.51 4.01 4.16 2ampB1 THR 134 H 0.07 0.01 -0.02 -0.55 8.28 7.79 2ampB1 THR 134 HA 0.12 0.29 0.96 -0.75 4.39 5.02 2ampB1 THR 134 HB -0.00 0.03 -0.01 -0.04 4.32 4.29 2ampB1 THR 134 HG23 -0.13 0.03 -0.31 -0.04 1.22 0.77 2ampB1 ILE 135 H 0.15 0.66 0.36 -0.55 8.25 8.87 2ampB1 ILE 135 HA 0.01 0.25 1.12 -0.75 4.18 4.81 2ampB1 ILE 135 HB -0.06 0.01 -0.04 -0.04 1.89 1.76 2ampB1 ILE 135 HG12 0.31 0.14 0.09 -0.04 1.49 1.98 2ampB1 ILE 135 HG13 0.21 -0.24 -0.24 -0.04 1.21 0.89 2ampB1 ILE 135 HG23 0.05 0.03 -0.29 -0.04 0.93 0.68 2ampB1 ILE 135 HD13 0.03 0.02 -0.16 -0.04 0.88 0.72 2ampB1 LYS 136 H -0.03 0.23 0.09 -0.55 8.42 8.16 2ampB1 LYS 136 HA -0.03 0.08 0.61 -0.75 4.32 4.23 2ampB1 LYS 136 HB2 -0.05 -0.06 0.20 -0.04 1.87 1.93 2ampB1 LYS 136 HB3 -0.05 0.14 0.25 -0.04 1.79 2.09 2ampB1 LYS 136 HG2 -0.06 0.01 -0.02 -0.04 1.46 1.35 2ampB1 LYS 136 HG3 -0.05 -0.07 -0.01 -0.04 1.46 1.29 2ampB1 LYS 136 HD2 -0.04 -0.03 0.02 -0.04 1.69 1.60 2ampB1 LYS 136 HD3 -0.04 0.09 0.02 -0.04 1.68 1.71 2ampB1 LYS 136 HE2 -0.05 0.00 -0.06 -0.04 2.99 2.85 2ampB1 LYS 136 HE3 -0.04 -0.04 -0.03 -0.04 2.99 2.84 2ampB1 GLY 137 H 0.38 0.31 -0.38 -0.55 8.43 8.19 2ampB1 GLY 137 HA2 -0.12 0.10 0.29 -0.51 4.01 3.78 2ampB1 GLY 137 HA3 -0.20 -0.10 0.28 -0.51 4.01 3.47 2ampB1 SER 138 H -0.93 0.03 -0.04 -0.55 8.46 6.96 2ampB1 SER 138 HA -0.07 0.13 0.30 -0.75 4.49 4.09 2ampB1 SER 138 HB2 -0.64 -0.07 -0.08 -0.04 3.95 3.12 2ampB1 SER 138 HB3 -0.28 0.01 0.12 -0.04 3.93 3.73 2ampB1 PHE 139 H -1.00 0.08 0.07 -0.55 8.34 6.94 2ampB1 PHE 139 HA -0.17 0.16 0.65 -0.75 4.62 4.51 2ampB1 PHE 139 HB2 -1.00 0.01 0.01 -0.04 3.15 2.13 2ampB1 PHE 139 HB3 -0.35 0.06 -0.03 -0.04 3.06 2.70 2ampB1 PHE 139 HD2 -0.49 0.03 0.00 -0.04 7.28 6.79 2ampB1 PHE 139 HE2 -0.00 0.00 -0.11 -0.04 7.38 7.23 2ampB1 PHE 139 HZ 0.04 0.02 -0.21 -0.04 7.32 7.13 2ampB1 ILE 140 H 0.19 0.18 0.11 -0.55 8.25 8.18 2ampB1 ILE 140 HA 0.14 0.16 0.47 -0.75 4.18 4.20 2ampB1 ILE 140 HB 0.09 -0.08 0.13 -0.04 1.89 2.00 2ampB1 ILE 140 HG12 0.14 -0.09 -0.22 -0.04 1.49 1.28 2ampB1 ILE 140 HG13 0.14 0.12 -0.23 -0.04 1.21 1.20 2ampB1 ILE 140 HG23 0.05 0.04 -0.40 -0.04 0.93 0.58 2ampB1 ILE 140 HD13 0.07 0.02 -0.10 -0.04 0.88 0.82 2ampB1 ALA 141 H 0.11 0.17 0.09 -0.55 8.40 8.22 2ampB1 ALA 141 HA 0.09 -0.03 0.43 -0.75 4.34 4.08 2ampB1 ALA 141 HB3 0.09 0.03 0.14 -0.04 1.41 1.64 2ampB1 GLY 142 H 0.07 0.08 0.35 -0.55 8.43 8.38 2ampB1 GLY 142 HA2 -0.06 0.11 0.46 -0.51 4.01 4.01 2ampB1 GLY 142 HA3 -0.13 0.23 0.66 -0.51 4.01 4.26 2ampB1 THR 143 H 0.14 0.40 0.10 -0.55 8.28 8.37 2ampB1 THR 143 HA 0.14 0.62 0.94 -0.75 4.39 5.34 2ampB1 THR 143 HB 0.37 -0.13 0.21 -0.04 4.32 4.73 2ampB1 THR 143 HG23 0.24 0.06 -0.11 -0.04 1.22 1.36 2ampB1 CYS 144 H 0.08 0.01 -0.07 -0.55 8.50 7.96 2ampB1 CYS 144 HA 0.04 -0.00 0.51 -0.75 4.58 4.37 2ampB1 CYS 144 HB2 0.07 -0.01 0.16 -0.04 2.97 3.14 2ampB1 CYS 144 HB3 0.00 0.07 0.11 -0.04 2.97 3.11 2ampB1 GLY 145 H -0.16 0.58 0.49 -0.55 8.43 8.80 2ampB1 GLY 145 HA2 -0.16 -0.10 0.48 -0.51 4.01 3.72 2ampB1 GLY 145 HA3 -0.08 0.40 0.88 -0.51 4.01 4.70 2ampB1 SER 146 H 0.02 0.30 0.03 -0.55 8.46 8.25 2ampB1 SER 146 HA 0.14 0.11 0.43 -0.75 4.49 4.41 2ampB1 SER 146 HB2 0.08 -0.15 0.07 -0.04 3.95 3.91 2ampB1 SER 146 HB3 0.31 0.06 -0.05 -0.04 3.93 4.21 2ampB1 VAL 147 H 0.23 0.31 0.22 -0.55 8.24 8.44 2ampB1 VAL 147 HA 0.39 0.33 1.04 -0.75 4.13 5.14 2ampB1 VAL 147 HB 0.26 -0.03 0.06 -0.04 2.12 2.37 2ampB1 VAL 147 HG13 0.61 -0.01 -0.11 -0.04 0.97 1.43 2ampB1 VAL 147 HG23 0.21 0.03 -0.08 -0.04 0.95 1.06 2ampB1 GLY 148 H 0.58 0.55 0.30 -0.55 8.43 9.31 2ampB1 GLY 148 HA2 0.45 0.32 1.12 -0.51 4.01 5.39 2ampB1 GLY 148 HA3 0.60 -0.08 0.29 -0.51 4.01 4.31 2ampB1 TYR 149 H 0.16 0.47 0.23 -0.55 8.29 8.59 2ampB1 TYR 149 HA 0.07 0.14 1.04 -0.75 4.56 5.06 2ampB1 TYR 149 HB2 -0.25 0.12 0.07 -0.04 3.06 2.96 2ampB1 TYR 149 HB3 -0.15 -0.01 -0.19 -0.04 2.98 2.59 2ampB1 TYR 149 HD2 0.02 -0.01 -0.24 -0.04 7.15 6.87 2ampB1 TYR 149 HE2 -0.01 0.13 -0.30 -0.04 6.85 6.64 2ampB1 VAL 150 H 0.08 0.63 0.36 -0.55 8.24 8.77 2ampB1 VAL 150 HA -0.08 0.10 0.86 -0.75 4.13 4.26 2ampB1 VAL 150 HB 0.02 0.02 -0.01 -0.04 2.12 2.11 2ampB1 VAL 150 HG13 0.04 -0.01 -0.12 -0.04 0.97 0.84 2ampB1 VAL 150 HG23 0.05 -0.00 -0.16 -0.04 0.95 0.80 2ampB1 LEU 151 H 0.03 0.23 0.14 -0.55 8.37 8.23 2ampB1 LEU 151 HA 0.12 0.58 0.95 -0.75 4.35 5.25 2ampB1 LEU 151 HB2 0.04 -0.05 0.03 -0.04 1.64 1.62 2ampB1 LEU 151 HB3 0.04 -0.00 -0.17 -0.04 1.64 1.47 2ampB1 LEU 151 HG 0.07 -0.10 -0.31 -0.04 1.64 1.25 2ampB1 LEU 151 HD13 0.07 0.02 -0.12 -0.04 0.93 0.86 2ampB1 LEU 151 HD23 0.07 0.14 -0.19 -0.04 0.89 0.87 2ampB1 GLU 152 H 0.21 0.59 0.04 -0.55 8.60 8.89 2ampB1 GLU 152 HA 0.07 0.09 0.78 -0.75 4.29 4.47 2ampB1 GLU 152 HB2 0.32 0.06 0.18 -0.04 2.09 2.61 2ampB1 GLU 152 HB3 0.09 -0.02 0.07 -0.04 1.99 2.09 2ampB1 GLU 152 HG2 0.03 0.07 -0.12 -0.04 2.34 2.27 2ampB1 GLU 152 HG3 0.07 -0.05 -0.35 -0.04 2.34 1.96 2ampB1 ASN 153 H 0.04 0.14 -0.05 -0.55 8.53 8.12 2ampB1 ASN 153 HA 0.02 0.02 0.37 -0.75 4.76 4.41 2ampB1 ASN 153 HB2 0.03 0.23 0.42 -0.04 2.88 3.52 2ampB1 ASN 153 HB3 0.01 0.01 0.07 -0.04 2.79 2.85 2ampB1 ASN 153 HD21 0.04 -0.02 -0.13 -0.04 7.03 6.88 2ampB1 ASN 153 HD22 0.08 0.27 -0.37 -0.04 7.74 7.68 2ampB1 GLY 154 H 0.00 0.12 0.04 -0.55 8.43 8.04 2ampB1 GLY 154 HA2 -0.02 0.02 0.22 -0.51 4.01 3.72 2ampB1 GLY 154 HA3 -0.03 0.04 0.27 -0.51 4.01 3.78 2ampB1 ILE 155 H -0.03 0.65 -0.32 -0.55 8.25 7.99 2ampB1 ILE 155 HA -0.20 0.15 0.94 -0.75 4.18 4.31 2ampB1 ILE 155 HB -0.17 0.15 0.21 -0.04 1.89 2.03 2ampB1 ILE 155 HG12 -0.21 -0.02 -0.05 -0.04 1.49 1.17 2ampB1 ILE 155 HG13 -0.10 0.00 -0.14 -0.04 1.21 0.93 2ampB1 ILE 155 HG23 -1.19 -0.03 -0.27 -0.04 0.93 -0.60 2ampB1 ILE 155 HD13 -0.06 -0.01 0.01 -0.04 0.88 0.78 2ampB1 LEU 156 H -0.19 0.32 0.16 -0.55 8.37 8.11 2ampB1 LEU 156 HA -0.06 0.14 0.78 -0.75 4.35 4.46 2ampB1 LEU 156 HB2 -0.09 -0.05 0.01 -0.04 1.64 1.48 2ampB1 LEU 156 HB3 -0.12 0.21 0.23 -0.04 1.64 1.92 2ampB1 LEU 156 HG -0.52 -0.07 -0.34 -0.04 1.64 0.67 2ampB1 LEU 156 HD13 -0.20 0.01 -0.10 -0.04 0.93 0.60 2ampB1 LEU 156 HD23 -0.16 0.01 -0.15 -0.04 0.89 0.54 2ampB1 TYR 157 H 0.10 0.84 0.41 -0.55 8.29 9.09 2ampB1 TYR 157 HA -0.11 0.46 1.21 -0.75 4.56 5.36 2ampB1 TYR 157 HB2 -0.01 -0.14 -0.00 -0.04 3.06 2.86 2ampB1 TYR 157 HB3 0.03 -0.02 -0.12 -0.04 2.98 2.83 2ampB1 TYR 157 HD2 0.01 0.06 -0.33 -0.04 7.15 6.85 2ampB1 TYR 157 HE2 0.01 0.00 -0.04 -0.04 6.85 6.78 2ampB1 PHE 158 H 0.06 0.36 0.23 -0.55 8.34 8.44 2ampB1 PHE 158 HA 0.21 0.18 0.92 -0.75 4.62 5.18 2ampB1 PHE 158 HB2 -0.65 -0.05 0.10 -0.04 3.15 2.52 2ampB1 PHE 158 HB3 -0.55 -0.00 0.02 -0.04 3.06 2.48 2ampB1 PHE 158 HD2 -0.28 -0.02 -0.05 -0.04 7.28 6.88 2ampB1 PHE 158 HE2 -0.29 0.05 -0.10 -0.04 7.38 6.99 2ampB1 PHE 158 HZ -0.22 0.10 -0.07 -0.04 7.32 7.09 2ampB1 VAL 159 H 0.52 0.51 0.36 -0.55 8.24 9.09 2ampB1 VAL 159 HA 0.41 0.21 1.07 -0.75 4.13 5.07 2ampB1 VAL 159 HB 0.03 -0.13 -0.10 -0.04 2.12 1.88 2ampB1 VAL 159 HG13 0.07 0.02 -0.49 -0.04 0.97 0.53 2ampB1 VAL 159 HG23 -0.32 0.05 -0.38 -0.04 0.95 0.26 2ampB1 TYR 160 H 0.54 0.29 0.34 -0.55 8.29 8.90 2ampB1 TYR 160 HA -0.02 0.49 1.00 -0.75 4.56 5.28 2ampB1 TYR 160 HB2 -0.19 0.01 -0.40 -0.04 3.06 2.45 2ampB1 TYR 160 HB3 0.22 -0.09 -0.02 -0.04 2.98 3.05 2ampB1 TYR 160 HD2 0.16 0.02 -0.37 -0.04 7.15 6.92 2ampB1 TYR 160 HE2 0.20 -0.02 -0.22 -0.04 6.85 6.77 2ampB1 MET 161 H -0.67 0.45 0.28 -0.55 8.47 7.98 2ampB1 MET 161 HA 0.03 0.50 0.77 -0.75 4.52 5.07 2ampB1 MET 161 HB2 -0.30 0.04 -0.13 -0.04 2.15 1.72 2ampB1 MET 161 HB3 -0.38 -0.12 -0.01 -0.04 2.03 1.48 2ampB1 MET 161 HG2 -0.44 -0.07 -0.19 -0.04 2.63 1.89 2ampB1 MET 161 HG3 -0.12 0.19 0.05 -0.04 2.56 2.64 2ampB1 MET 161 HE3 0.21 0.02 -0.09 -0.04 2.10 2.21 2ampB1 HIS 162 H -0.02 0.50 0.15 -0.55 8.41 8.49 2ampB1 HIS 162 HA -0.27 0.09 0.80 -0.75 4.63 4.49 2ampB1 HIS 162 HB2 -0.36 0.00 -0.02 -0.04 3.26 2.84 2ampB1 HIS 162 HB3 -0.43 -0.01 0.24 -0.04 3.20 2.95 2ampB1 HIS 162 HD2 -0.37 0.01 -0.43 -0.04 6.97 6.13 2ampB1 HIS 162 HE1 0.24 0.06 0.00 -0.04 7.75 8.00 2ampB1 HIS 163 H -0.41 0.53 0.47 -0.55 8.41 8.46 2ampB1 HIS 163 HA -0.16 0.17 1.13 -0.75 4.63 5.01 2ampB1 HIS 163 HB2 -0.15 0.05 0.12 -0.04 3.26 3.24 2ampB1 HIS 163 HB3 -0.02 -0.01 -0.06 -0.04 3.20 3.07 2ampB1 HIS 163 HD2 -0.26 -0.08 0.07 -0.04 6.97 6.65 2ampB1 HIS 163 HE1 -0.18 0.20 -0.01 -0.04 7.75 7.71 2ampB1 LEU 164 H -0.14 0.35 0.31 -0.55 8.37 8.34 2ampB1 LEU 164 HA -0.03 0.19 0.75 -0.75 4.35 4.51 2ampB1 LEU 164 HB2 0.01 0.03 0.09 -0.04 1.64 1.72 2ampB1 LEU 164 HB3 -0.01 0.05 -0.20 -0.04 1.64 1.44 2ampB1 LEU 164 HG 0.01 -0.10 -0.05 -0.04 1.64 1.46 2ampB1 LEU 164 HD13 0.00 0.02 -0.39 -0.04 0.93 0.52 2ampB1 LEU 164 HD23 0.03 0.04 -0.10 -0.04 0.89 0.82 2ampB1 GLU 165 H 0.08 0.27 0.15 -0.55 8.60 8.55 2ampB1 GLU 165 HA 0.19 0.13 1.11 -0.75 4.29 4.96 2ampB1 GLU 165 HB2 0.43 -0.07 -0.12 -0.04 2.09 2.29 2ampB1 GLU 165 HB3 0.16 -0.02 0.03 -0.04 1.99 2.12 2ampB1 GLU 165 HG2 0.04 0.28 -0.26 -0.04 2.34 2.36 2ampB1 GLU 165 HG3 -0.03 0.15 -0.23 -0.04 2.34 2.20 2ampB1 LEU 166 H -0.03 0.63 0.17 -0.55 8.37 8.59 2ampB1 LEU 166 HA -0.02 0.14 0.46 -0.75 4.35 4.17 2ampB1 LEU 166 HB2 -0.08 -0.16 0.08 -0.04 1.64 1.44 2ampB1 LEU 166 HB3 -0.05 -0.08 0.18 -0.04 1.64 1.65 2ampB1 LEU 166 HG -0.21 0.04 -0.10 -0.04 1.64 1.33 2ampB1 LEU 166 HD13 -0.23 0.00 -0.10 -0.04 0.93 0.56 2ampB1 LEU 166 HD23 -0.22 0.05 -0.07 -0.04 0.89 0.61 2ampB1 GLY 167 H -0.00 0.19 0.20 -0.55 8.43 8.27 2ampB1 GLY 167 HA2 0.01 0.17 0.45 -0.51 4.01 4.12 2ampB1 GLY 167 HA3 0.00 0.02 0.33 -0.51 4.01 3.86 2ampB1 ASN 168 H -0.02 -0.01 -0.13 -0.55 8.53 7.82 2ampB1 ASN 168 HA -0.02 0.18 0.44 -0.75 4.76 4.62 2ampB1 ASN 168 HB2 -0.03 0.06 0.06 -0.04 2.88 2.93 2ampB1 ASN 168 HB3 -0.01 -0.01 0.07 -0.04 2.79 2.79 2ampB1 ASN 168 HD21 -0.04 0.00 -0.04 -0.04 7.03 6.92 2ampB1 ASN 168 HD22 -0.02 0.02 -0.01 -0.04 7.74 7.69 2ampB1 GLY 169 H -0.06 0.10 -0.46 -0.55 8.43 7.47 2ampB1 GLY 169 HA2 -0.07 0.10 0.19 -0.51 4.01 3.72 2ampB1 GLY 169 HA3 -0.08 0.23 0.84 -0.51 4.01 4.48 2ampB1 SER 170 H -0.11 -0.02 -0.12 -0.55 8.46 7.65 2ampB1 SER 170 HA -0.20 0.11 0.36 -0.75 4.49 4.00 2ampB1 SER 170 HB2 -0.12 -0.07 -0.02 -0.04 3.95 3.70 2ampB1 SER 170 HB3 -0.08 0.02 -0.07 -0.04 3.93 3.76 2ampB1 HIS 171 H -0.00 0.56 0.39 -0.55 8.41 8.82 2ampB1 HIS 171 HA 0.23 0.21 1.09 -0.75 4.63 5.40 2ampB1 HIS 171 HB2 0.32 -0.06 0.24 -0.04 3.26 3.72 2ampB1 HIS 171 HB3 0.58 0.03 0.06 -0.04 3.20 3.83 2ampB1 HIS 171 HD2 0.29 0.03 -0.09 -0.04 6.97 7.16 2ampB1 HIS 171 HE1 -0.03 0.13 -0.27 -0.04 7.75 7.54 2ampB1 VAL 172 H 0.26 0.70 0.39 -0.55 8.24 9.04 2ampB1 VAL 172 HA 0.21 0.20 1.12 -0.75 4.13 4.90 2ampB1 VAL 172 HB -0.00 -0.04 0.03 -0.04 2.12 2.06 2ampB1 VAL 172 HG13 0.07 0.03 -0.09 -0.04 0.97 0.93 2ampB1 VAL 172 HG23 -0.33 0.01 -0.19 -0.04 0.95 0.40 2ampB1 GLY 173 H 0.26 0.36 0.35 -0.55 8.43 8.84 2ampB1 GLY 173 HA2 0.03 0.01 0.86 -0.51 4.01 4.40 2ampB1 GLY 173 HA3 -0.59 0.12 0.44 -0.51 4.01 3.47 2ampB1 SER 174 H -0.17 0.46 0.33 -0.55 8.46 8.54 2ampB1 SER 174 HA -0.22 0.17 1.11 -0.75 4.49 4.80 2ampB1 SER 174 HB2 -0.20 -0.03 -0.33 -0.04 3.95 3.34 2ampB1 SER 174 HB3 -0.18 -0.10 -0.19 -0.04 3.93 3.42 2ampB1 ASN 175 H -0.46 0.55 0.33 -0.55 8.53 8.40 2ampB1 ASN 175 HA -0.10 0.57 0.77 -0.75 4.76 5.24 2ampB1 ASN 175 HB2 -0.07 0.14 0.34 -0.04 2.88 3.25 2ampB1 ASN 175 HB3 -0.80 0.02 0.21 -0.04 2.79 2.17 2ampB1 ASN 175 HD21 -0.12 0.00 -0.03 -0.04 7.03 6.84 2ampB1 ASN 175 HD22 -0.16 0.05 0.01 -0.04 7.74 7.60 2ampB1 PHE 176 H 0.19 0.33 0.14 -0.55 8.34 8.45 2ampB1 PHE 176 HA 0.01 0.21 0.55 -0.75 4.62 4.63 2ampB1 PHE 176 HB2 0.39 0.07 0.09 -0.04 3.15 3.66 2ampB1 PHE 176 HB3 -0.08 0.02 0.09 -0.04 3.06 3.06 2ampB1 PHE 176 HD2 0.23 0.05 -0.36 -0.04 7.28 7.16 2ampB1 PHE 176 HE2 0.21 -0.05 -0.05 -0.04 7.38 7.45 2ampB1 PHE 176 HZ 0.12 0.12 -0.06 -0.04 7.32 7.46 2ampB1 GLU 177 H -0.03 0.06 -0.33 -0.55 8.60 7.76 2ampB1 GLU 177 HA -0.06 0.19 0.50 -0.75 4.29 4.17 2ampB1 GLU 177 HB2 -0.02 -0.03 0.03 -0.04 2.09 2.02 2ampB1 GLU 177 HB3 -0.06 -0.02 -0.01 -0.04 1.99 1.86 2ampB1 GLU 177 HG2 -0.02 0.00 -0.00 -0.04 2.34 2.28 2ampB1 GLU 177 HG3 -0.04 0.03 0.07 -0.04 2.34 2.35 2ampB1 GLY 178 H -0.09 0.23 -0.63 -0.55 8.43 7.39 2ampB1 GLY 178 HA2 -0.10 0.04 0.24 -0.51 4.01 3.68 2ampB1 GLY 178 HA3 -0.09 0.19 0.40 -0.51 4.01 4.00 2ampB1 GLU 179 H -0.17 -0.00 -0.27 -0.55 8.60 7.61 2ampB1 GLU 179 HA -0.16 0.14 0.74 -0.75 4.29 4.26 2ampB1 GLU 179 HB2 -0.25 -0.11 0.07 -0.04 2.09 1.76 2ampB1 GLU 179 HB3 -0.17 0.12 -0.02 -0.04 1.99 1.88 2ampB1 GLU 179 HG2 -0.11 0.07 -0.13 -0.04 2.34 2.13 2ampB1 GLU 179 HG3 -0.11 -0.06 -0.21 -0.04 2.34 1.93 2ampB1 MET 180 H -0.17 0.17 0.20 -0.55 8.47 8.12 2ampB1 MET 180 HA -0.18 0.02 0.40 -0.75 4.52 4.01 2ampB1 MET 180 HB2 -0.21 -0.10 0.09 -0.04 2.15 1.89 2ampB1 MET 180 HB3 -0.08 0.04 -0.00 -0.04 2.03 1.95 2ampB1 MET 180 HG2 -0.04 0.28 -0.21 -0.04 2.63 2.62 2ampB1 MET 180 HG3 0.04 0.11 -0.11 -0.04 2.56 2.56 2ampB1 MET 180 HE3 -0.54 -0.00 -0.15 -0.04 2.10 1.37 2ampB1 TYR 181 H 0.14 0.93 0.55 -0.55 8.29 9.36 2ampB1 TYR 181 HA 0.04 -0.03 0.63 -0.75 4.56 4.44 2ampB1 TYR 181 HB2 0.14 0.03 0.34 -0.04 3.06 3.53 2ampB1 TYR 181 HB3 0.13 0.06 0.17 -0.04 2.98 3.30 2ampB1 TYR 181 HD2 0.06 0.03 -0.08 -0.04 7.15 7.13 2ampB1 TYR 181 HE2 0.04 0.14 -0.01 -0.04 6.85 6.98 2ampB1 GLY 182 H 0.18 0.09 0.25 -0.55 8.43 8.40 2ampB1 GLY 182 HA2 0.10 0.03 0.38 -0.51 4.01 4.01 2ampB1 GLY 182 HA3 0.37 0.25 0.64 -0.51 4.01 4.76 2ampB1 GLY 183 H 0.01 0.21 -0.21 -0.55 8.43 7.89 2ampB1 GLY 183 HA2 -0.08 -0.00 0.28 -0.51 4.01 3.71 2ampB1 GLY 183 HA3 -0.14 0.02 0.30 -0.51 4.01 3.68 2ampB1 TYR 184 H 0.09 0.16 -0.84 -0.55 8.29 7.16 2ampB1 TYR 184 HA -0.02 0.02 0.38 -0.75 4.56 4.19 2ampB1 TYR 184 HB2 -0.00 -0.03 -0.06 -0.04 3.06 2.93 2ampB1 TYR 184 HB3 -0.00 -0.01 0.02 -0.04 2.98 2.95 2ampB1 TYR 184 HD2 0.03 0.09 0.05 -0.04 7.15 7.28 2ampB1 TYR 184 HE2 0.03 0.27 -0.01 -0.04 6.85 7.11 2ampB1 GLU 185 H 0.09 0.11 0.18 -0.55 8.60 8.43 2ampB1 GLU 185 HA -0.05 0.17 0.78 -0.75 4.29 4.43 2ampB1 GLU 185 HB2 -0.02 -0.04 0.06 -0.04 2.09 2.05 2ampB1 GLU 185 HB3 -0.02 0.09 0.05 -0.04 1.99 2.07 2ampB1 GLU 185 HG2 0.05 -0.03 -0.00 -0.04 2.34 2.31 2ampB1 GLU 185 HG3 0.04 -0.03 -0.21 -0.04 2.34 2.10 2ampB1 ASP 186 H -0.06 0.15 0.08 -0.55 8.40 8.02 2ampB1 ASP 186 HA 0.04 0.14 0.53 -0.75 4.63 4.58 2ampB1 ASP 186 HB2 0.25 0.02 0.18 -0.04 2.71 3.12 2ampB1 ASP 186 HB3 -0.02 0.01 0.07 -0.04 2.70 2.72 2ampB1 GLN 187 H 0.05 0.50 -0.10 -0.55 8.47 8.37 2ampB1 GLN 187 HA 0.06 0.23 0.85 -0.75 4.36 4.74 2ampB1 GLN 187 HB2 0.04 -0.01 -0.02 -0.04 2.15 2.12 2ampB1 GLN 187 HB3 0.04 0.01 -0.06 -0.04 2.02 1.96 2ampB1 GLN 187 HG2 0.08 -0.17 -0.52 -0.04 2.40 1.75 2ampB1 GLN 187 HG3 0.06 0.03 -0.10 -0.04 2.39 2.33 2ampB1 GLN 187 HE21 0.28 0.20 0.10 -0.04 6.97 7.51 2ampB1 GLN 187 HE22 0.22 -0.11 -0.06 -0.04 7.69 7.70 2ampB1 PRO 188 HA 0.00 0.12 0.42 -0.51 4.44 4.47 2ampB1 PRO 188 HB2 -0.00 0.01 0.09 -0.04 2.28 2.34 2ampB1 PRO 188 HB3 -0.02 0.14 0.11 -0.04 2.02 2.21 2ampB1 PRO 188 HG2 -0.00 -0.14 -0.22 -0.04 2.03 1.62 2ampB1 PRO 188 HG3 -0.02 0.12 -0.26 -0.04 2.03 1.83 2ampB1 PRO 188 HD2 0.01 -0.05 -0.00 -0.04 3.68 3.59 2ampB1 PRO 188 HD3 -0.01 0.23 0.04 -0.04 3.65 3.87 2ampB1 SER 189 H 0.03 0.95 0.01 -0.55 8.46 8.90 2ampB1 SER 189 HA 0.02 0.15 0.81 -0.75 4.49 4.71 2ampB1 SER 189 HB2 0.02 -0.00 -0.04 -0.04 3.95 3.89 2ampB1 SER 189 HB3 0.02 -0.05 -0.14 -0.04 3.93 3.72 2ampB1 MET 190 H 0.02 0.15 0.10 -0.55 8.47 8.19 2ampB1 MET 190 HA 0.02 0.07 0.61 -0.75 4.52 4.48 2ampB1 MET 190 HB2 0.01 0.03 0.13 -0.04 2.15 2.29 2ampB1 MET 190 HB3 0.02 -0.00 0.23 -0.04 2.03 2.23 2ampB1 MET 190 HG2 0.02 -0.01 -0.02 -0.04 2.63 2.57 2ampB1 MET 190 HG3 0.01 0.03 0.01 -0.04 2.56 2.57 2ampB1 MET 190 HE3 0.02 -0.00 -0.11 -0.04 2.10 1.96 2ampB1 GLN 191 H 0.05 0.28 0.34 -0.55 8.47 8.59 2ampB1 GLN 191 HA 0.07 0.11 0.69 -0.75 4.36 4.47 2ampB1 GLN 191 HB2 0.18 -0.03 0.09 -0.04 2.15 2.35 2ampB1 GLN 191 HB3 0.18 0.04 0.07 -0.04 2.02 2.27 2ampB1 GLN 191 HG2 0.06 -0.03 -0.18 -0.04 2.40 2.20 2ampB1 GLN 191 HG3 0.06 0.28 -0.16 -0.04 2.39 2.53 2ampB1 GLN 191 HE21 0.06 0.07 0.18 -0.04 6.97 7.24 2ampB1 GLN 191 HE22 0.05 0.16 0.24 -0.04 7.69 8.09 2ampB1 LEU 192 H 0.08 0.15 0.18 -0.55 8.37 8.23 2ampB1 LEU 192 HA 0.07 0.08 0.70 -0.75 4.35 4.45 2ampB1 LEU 192 HB2 0.05 0.06 0.03 -0.04 1.64 1.74 2ampB1 LEU 192 HB3 0.05 -0.13 0.08 -0.04 1.64 1.59 2ampB1 LEU 192 HG 0.03 0.05 0.04 -0.04 1.64 1.71 2ampB1 LEU 192 HD13 0.01 0.01 0.01 -0.04 0.93 0.92 2ampB1 LEU 192 HD23 0.02 0.00 -0.10 -0.04 0.89 0.78 2ampB1 GLU 193 H 0.07 0.01 0.18 -0.55 8.60 8.32 2ampB1 GLU 193 HA 0.38 0.25 0.82 -0.75 4.29 4.98 2ampB1 GLU 193 HB2 0.01 -0.05 -0.00 -0.04 2.09 2.01 2ampB1 GLU 193 HB3 0.03 -0.06 0.06 -0.04 1.99 1.98 2ampB1 GLU 193 HG2 0.06 0.37 -0.25 -0.04 2.34 2.47 2ampB1 GLU 193 HG3 0.13 0.02 0.01 -0.04 2.34 2.45 2ampB1 GLY 194 H 0.04 -0.12 0.05 -0.55 8.43 7.86 2ampB1 GLY 194 HA2 0.01 -0.05 0.37 -0.51 4.01 3.83 2ampB1 GLY 194 HA3 0.02 0.20 0.53 -0.51 4.01 4.26 2ampB1 THR 195 H -0.01 0.08 0.10 -0.55 8.28 7.89 2ampB1 THR 195 HA -0.02 -0.03 0.31 -0.75 4.39 3.89 2ampB1 THR 195 HB -0.03 -0.03 0.09 -0.04 4.32 4.31 2ampB1 THR 195 HG23 -0.05 0.05 -0.30 -0.04 1.22 0.87 2ampB1 ASN 196 H -0.05 0.12 0.16 -0.55 8.53 8.21 2ampB1 ASN 196 HA -0.03 0.03 0.69 -0.75 4.76 4.69 2ampB1 ASN 196 HB2 -0.05 0.02 0.07 -0.04 2.88 2.89 2ampB1 ASN 196 HB3 -0.08 0.05 0.08 -0.04 2.79 2.80 2ampB1 ASN 196 HD21 -0.08 -0.05 -0.10 -0.04 7.03 6.77 2ampB1 ASN 196 HD22 -0.11 0.06 -0.20 -0.04 7.74 7.45 2ampB1 VAL 197 H -0.06 0.01 0.15 -0.55 8.24 7.79 2ampB1 VAL 197 HA -0.15 0.39 0.94 -0.75 4.13 4.55 2ampB1 VAL 197 HB -0.04 -0.12 0.10 -0.04 2.12 2.03 2ampB1 VAL 197 HG13 -0.05 -0.01 -0.44 -0.04 0.97 0.42 2ampB1 VAL 197 HG23 -0.05 0.03 -0.19 -0.04 0.95 0.70 2ampB1 MET 198 H -0.40 0.73 0.28 -0.55 8.47 8.53 2ampB1 MET 198 HA -0.23 -0.06 0.39 -0.75 4.52 3.87 2ampB1 MET 198 HB2 -1.60 0.15 0.20 -0.04 2.15 0.86 2ampB1 MET 198 HB3 -0.65 -0.06 -0.12 -0.04 2.03 1.17 2ampB1 MET 198 HG2 -0.42 0.03 0.05 -0.04 2.63 2.25 2ampB1 MET 198 HG3 -0.79 0.10 0.02 -0.04 2.56 1.85 2ampB1 MET 198 HE3 -0.11 0.03 -0.03 -0.04 2.10 1.95 2ampB1 SER 199 H -0.07 0.17 0.16 -0.55 8.46 8.18 2ampB1 SER 199 HA 0.04 0.06 0.65 -0.75 4.49 4.49 2ampB1 SER 199 HB2 0.02 0.10 0.14 -0.04 3.95 4.17 2ampB1 SER 199 HB3 0.02 0.12 0.24 -0.04 3.93 4.28 2ampB1 SER 200 H 0.17 0.21 0.16 -0.55 8.46 8.46 2ampB1 SER 200 HA 0.34 0.12 0.31 -0.75 4.49 4.50 2ampB1 SER 200 HB2 0.23 -0.08 -0.18 -0.04 3.95 3.88 2ampB1 SER 200 HB3 0.22 -0.05 -0.16 -0.04 3.93 3.90 2ampB1 ASP 201 H 0.16 0.15 -0.10 -0.55 8.40 8.06 2ampB1 ASP 201 HA 0.37 0.02 0.31 -0.75 4.63 4.58 2ampB1 ASP 201 HB2 0.16 0.09 0.04 -0.04 2.71 2.96 2ampB1 ASP 201 HB3 0.25 0.00 0.09 -0.04 2.70 3.00 2ampB1 ASN 202 H 0.14 0.07 -0.33 -0.55 8.53 7.86 2ampB1 ASN 202 HA 0.18 -0.04 0.50 -0.75 4.76 4.65 2ampB1 ASN 202 HB2 0.08 -0.01 0.13 -0.04 2.88 3.04 2ampB1 ASN 202 HB3 0.12 0.09 0.04 -0.04 2.79 3.00 2ampB1 ASN 202 HD21 0.04 0.72 0.14 -0.04 7.03 7.89 2ampB1 ASN 202 HD22 0.03 0.07 0.05 -0.04 7.74 7.85 2ampB1 VAL 203 H 0.15 0.37 -0.20 -0.55 8.24 8.01 2ampB1 VAL 203 HA 0.07 0.27 0.65 -0.75 4.13 4.37 2ampB1 VAL 203 HB 0.19 0.00 0.05 -0.04 2.12 2.32 2ampB1 VAL 203 HG13 0.07 -0.01 -0.16 -0.04 0.97 0.83 2ampB1 VAL 203 HG23 0.14 0.06 -0.24 -0.04 0.95 0.87 2ampB1 VAL 204 H 0.10 0.57 -0.07 -0.55 8.24 8.29 2ampB1 VAL 204 HA -0.13 0.05 0.36 -0.75 4.13 3.65 2ampB1 VAL 204 HB 0.06 0.10 0.14 -0.04 2.12 2.37 2ampB1 VAL 204 HG13 -0.66 -0.03 -0.07 -0.04 0.97 0.18 2ampB1 VAL 204 HG23 -0.27 0.13 -0.03 -0.04 0.95 0.74 2ampB1 ALA 205 H 0.38 0.46 -0.08 -0.55 8.40 8.62 2ampB1 ALA 205 HA 0.42 -0.01 0.31 -0.75 4.34 4.31 2ampB1 ALA 205 HB3 0.20 0.04 -0.11 -0.04 1.41 1.50 2ampB1 PHE 206 H 0.28 0.40 -0.43 -0.55 8.34 8.04 2ampB1 PHE 206 HA -0.10 -0.02 0.30 -0.75 4.62 4.05 2ampB1 PHE 206 HB2 -0.01 0.03 0.17 -0.04 3.15 3.30 2ampB1 PHE 206 HB3 -0.03 0.23 0.21 -0.04 3.06 3.43 2ampB1 PHE 206 HD2 -0.22 -0.02 -0.13 -0.04 7.28 6.87 2ampB1 PHE 206 HE2 -0.23 0.02 -0.07 -0.04 7.38 7.06 2ampB1 PHE 206 HZ 0.15 0.16 -0.03 -0.04 7.32 7.56 2ampB1 LEU 207 H 0.12 0.43 -0.27 -0.55 8.37 8.11 2ampB1 LEU 207 HA -0.17 0.04 0.41 -0.75 4.35 3.88 2ampB1 LEU 207 HB2 -0.14 0.08 0.13 -0.04 1.64 1.67 2ampB1 LEU 207 HB3 -0.05 -0.02 -0.03 -0.04 1.64 1.50 2ampB1 LEU 207 HG -0.04 0.16 0.01 -0.04 1.64 1.74 2ampB1 LEU 207 HD13 -0.21 -0.03 -0.07 -0.04 0.93 0.58 2ampB1 LEU 207 HD23 -0.80 -0.00 -0.09 -0.04 0.89 -0.05 2ampB1 TYR 208 H 0.08 0.48 -0.14 -0.55 8.29 8.16 2ampB1 TYR 208 HA 0.02 0.04 0.36 -0.75 4.56 4.23 2ampB1 TYR 208 HB2 0.09 0.03 0.16 -0.04 3.06 3.30 2ampB1 TYR 208 HB3 0.03 -0.00 -0.08 -0.04 2.98 2.88 2ampB1 TYR 208 HD2 0.21 -0.02 -0.10 -0.04 7.15 7.20 2ampB1 TYR 208 HE2 0.12 0.05 -0.11 -0.04 6.85 6.88 2ampB1 ALA 209 H 0.06 0.70 -0.07 -0.55 8.40 8.55 2ampB1 ALA 209 HA -0.06 -0.00 0.29 -0.75 4.34 3.82 2ampB1 ALA 209 HB3 -0.17 0.02 0.03 -0.04 1.41 1.26 2ampB1 ALA 210 H -0.16 0.36 -0.45 -0.55 8.40 7.60 2ampB1 ALA 210 HA -0.11 -0.03 0.29 -0.75 4.34 3.74 2ampB1 ALA 210 HB3 0.04 0.03 0.06 -0.04 1.41 1.50 2ampB1 LEU 211 H 0.07 0.50 -0.05 -0.55 8.37 8.34 2ampB1 LEU 211 HA -0.08 0.22 0.48 -0.75 4.35 4.21 2ampB1 LEU 211 HB2 0.07 0.16 0.25 -0.04 1.64 2.07 2ampB1 LEU 211 HB3 -0.01 -0.05 0.04 -0.04 1.64 1.58 2ampB1 LEU 211 HG 0.02 0.08 0.11 -0.04 1.64 1.81 2ampB1 LEU 211 HD13 0.15 -0.06 -0.03 -0.04 0.93 0.96 2ampB1 LEU 211 HD23 -0.14 -0.00 0.05 -0.04 0.89 0.76 2ampB1 ILE 212 H -0.03 0.52 -0.11 -0.55 8.25 8.08 2ampB1 ILE 212 HA -0.13 -0.02 0.32 -0.75 4.18 3.59 2ampB1 ILE 212 HB -0.19 0.17 0.08 -0.04 1.89 1.91 2ampB1 ILE 212 HG12 -0.05 -0.04 0.01 -0.04 1.49 1.37 2ampB1 ILE 212 HG13 -0.05 -0.01 -0.03 -0.04 1.21 1.08 2ampB1 ILE 212 HG23 -0.43 -0.03 0.01 -0.04 0.93 0.44 2ampB1 ILE 212 HD13 -0.10 -0.05 -0.13 -0.04 0.88 0.57 2ampB1 ASN 213 H -0.09 0.44 -0.34 -0.55 8.53 7.99 2ampB1 ASN 213 HA -0.08 0.08 0.69 -0.75 4.76 4.69 2ampB1 ASN 213 HB2 -0.07 -0.02 0.00 -0.04 2.88 2.75 2ampB1 ASN 213 HB3 -0.05 -0.02 0.06 -0.04 2.79 2.73 2ampB1 ASN 213 HD21 0.01 0.08 0.02 -0.04 7.03 7.09 2ampB1 ASN 213 HD22 -0.01 -0.17 -0.05 -0.04 7.74 7.48 2ampB1 GLY 214 H -0.06 0.34 -0.66 -0.55 8.43 7.51 2ampB1 GLY 214 HA2 -0.03 -0.01 0.34 -0.51 4.01 3.80 2ampB1 GLY 214 HA3 -0.01 -0.07 0.39 -0.51 4.01 3.81 2ampB1 GLU 215 H -0.04 0.45 0.10 -0.55 8.60 8.57 2ampB1 GLU 215 HA 0.05 0.06 0.89 -0.75 4.29 4.53 2ampB1 GLU 215 HB2 0.08 0.18 -0.09 -0.04 2.09 2.21 2ampB1 GLU 215 HB3 0.21 -0.15 -0.03 -0.04 1.99 1.98 2ampB1 GLU 215 HG2 0.13 0.03 0.09 -0.04 2.34 2.55 2ampB1 GLU 215 HG3 0.06 0.27 -0.24 -0.04 2.34 2.39 2ampB1 ARG 216 H -0.06 0.05 0.16 -0.55 8.46 8.06 2ampB1 ARG 216 HA -0.86 0.21 0.85 -0.75 4.34 3.79 2ampB1 ARG 216 HB2 -0.16 0.03 -0.05 -0.04 1.90 1.68 2ampB1 ARG 216 HB3 -0.28 0.02 0.11 -0.04 1.80 1.61 2ampB1 ARG 216 HG2 -0.18 0.14 -0.39 -0.04 1.67 1.21 2ampB1 ARG 216 HG3 -0.11 -0.02 -0.38 -0.04 1.67 1.12 2ampB1 ARG 216 HD2 -0.07 0.04 -0.08 -0.04 3.22 3.07 2ampB1 ARG 216 HD3 -0.09 -0.02 -0.06 -0.04 3.22 3.02 2ampB1 TRP 217 H 0.15 0.06 0.16 -0.55 7.97 7.80 2ampB1 TRP 217 HA -0.13 0.09 0.34 -0.75 4.62 4.16 2ampB1 TRP 217 HB2 -0.04 0.04 0.10 -0.04 3.23 3.30 2ampB1 TRP 217 HB3 -0.06 0.01 0.18 -0.04 3.23 3.31 2ampB1 TRP 217 HD1 -0.02 -0.06 0.10 -0.04 7.22 7.20 2ampB1 TRP 217 HE1 0.11 0.25 0.08 -0.04 10.20 10.60 2ampB1 TRP 217 HE3 0.00 0.01 -0.19 -0.04 7.59 7.37 2ampB1 TRP 217 HZ2 -0.31 -0.00 -0.33 -0.04 7.44 6.76 2ampB1 TRP 217 HZ3 0.01 0.04 -0.07 -0.04 7.13 7.07 2ampB1 TRP 217 HH2 -0.18 0.01 -0.06 -0.04 7.19 6.92 2ampB1 PHE 218 H -1.47 -0.02 -0.74 -0.55 8.34 5.55 2ampB1 PHE 218 HA -0.60 0.18 0.67 -0.75 4.62 4.12 2ampB1 PHE 218 HB2 -0.78 -0.01 0.09 -0.04 3.15 2.40 2ampB1 PHE 218 HB3 -2.12 -0.01 -0.07 -0.04 3.06 0.81 2ampB1 PHE 218 HD2 -0.90 -0.02 -0.19 -0.04 7.28 6.13 2ampB1 PHE 218 HE2 -0.25 -0.04 -0.13 -0.04 7.38 6.93 2ampB1 PHE 218 HZ -0.21 0.12 0.01 -0.04 7.32 7.20 2ampB1 VAL 219 H -0.45 0.81 -0.13 -0.55 8.24 7.92 2ampB1 VAL 219 HA -0.16 0.16 1.08 -0.75 4.13 4.47 2ampB1 VAL 219 HB -0.25 -0.01 0.10 -0.04 2.12 1.92 2ampB1 VAL 219 HG13 -0.13 -0.00 -0.05 -0.04 0.97 0.74 2ampB1 VAL 219 HG23 -0.61 0.01 -0.05 -0.04 0.95 0.26 2ampB1 THR 220 H -0.10 0.27 0.14 -0.55 8.28 8.04 2ampB1 THR 220 HA -0.07 0.17 0.95 -0.75 4.39 4.69 2ampB1 THR 220 HB -0.04 -0.01 0.02 -0.04 4.32 4.26 2ampB1 THR 220 HG23 -0.05 0.03 -0.33 -0.04 1.22 0.83 2ampB1 ASN 221 H -0.05 0.13 0.13 -0.55 8.53 8.20 2ampB1 ASN 221 HA -0.05 -0.01 0.45 -0.75 4.76 4.40 2ampB1 ASN 221 HB2 -0.03 -0.01 0.01 -0.04 2.88 2.81 2ampB1 ASN 221 HB3 -0.03 0.02 0.12 -0.04 2.79 2.85 2ampB1 ASN 221 HD21 -0.02 0.02 0.05 -0.04 7.03 7.03 2ampB1 ASN 221 HD22 -0.02 -0.01 -0.02 -0.04 7.74 7.65 2ampB1 THR 222 H -0.05 0.10 0.15 -0.55 8.28 7.93 2ampB1 THR 222 HA -0.04 -0.04 0.36 -0.75 4.39 3.92 2ampB1 THR 222 HB -0.06 0.06 -0.37 -0.04 4.32 3.91 2ampB1 THR 222 HG23 -0.06 -0.03 -0.15 -0.04 1.22 0.94 2ampB1 SER 223 H -0.05 0.23 0.17 -0.55 8.46 8.27 2ampB1 SER 223 HA -0.08 0.22 0.73 -0.75 4.49 4.61 2ampB1 SER 223 HB2 -0.06 0.09 -0.24 -0.04 3.95 3.70 2ampB1 SER 223 HB3 -0.04 -0.03 -0.10 -0.04 3.93 3.71 2ampB1 MET 224 H -0.08 0.49 0.21 -0.55 8.47 8.55 2ampB1 MET 224 HA -0.04 0.15 0.87 -0.75 4.52 4.75 2ampB1 MET 224 HB2 -0.08 0.09 -0.10 -0.04 2.15 2.01 2ampB1 MET 224 HB3 -0.07 -0.04 -0.03 -0.04 2.03 1.85 2ampB1 MET 224 HG2 0.06 -0.12 -0.07 -0.04 2.63 2.47 2ampB1 MET 224 HG3 -0.01 -0.03 0.09 -0.04 2.56 2.56 2ampB1 MET 224 HE3 -0.06 -0.01 -0.21 -0.04 2.10 1.79 2ampB1 SER 225 H -0.00 0.14 0.18 -0.55 8.46 8.24 2ampB1 SER 225 HA -0.01 0.18 0.76 -0.75 4.49 4.67 2ampB1 SER 225 HB2 0.01 -0.06 0.14 -0.04 3.95 4.00 2ampB1 SER 225 HB3 -0.00 0.15 0.10 -0.04 3.93 4.14 2ampB1 LEU 226 H 0.01 0.20 0.16 -0.55 8.37 8.19 2ampB1 LEU 226 HA 0.09 0.05 0.30 -0.75 4.35 4.03 2ampB1 LEU 226 HB2 0.02 -0.04 0.15 -0.04 1.64 1.72 2ampB1 LEU 226 HB3 0.04 0.09 0.02 -0.04 1.64 1.75 2ampB1 LEU 226 HG 0.06 -0.07 0.00 -0.04 1.64 1.59 2ampB1 LEU 226 HD13 0.02 -0.02 -0.24 -0.04 0.93 0.65 2ampB1 LEU 226 HD23 0.09 0.17 -0.00 -0.04 0.89 1.10 2ampB1 GLU 227 H 0.04 -0.00 -0.34 -0.55 8.60 7.75 2ampB1 GLU 227 HA 0.04 0.12 0.31 -0.75 4.29 4.01 2ampB1 GLU 227 HB2 0.02 -0.08 0.09 -0.04 2.09 2.08 2ampB1 GLU 227 HB3 0.02 -0.02 0.07 -0.04 1.99 2.02 2ampB1 GLU 227 HG2 0.02 0.06 -0.02 -0.04 2.34 2.36 2ampB1 GLU 227 HG3 0.03 0.03 0.03 -0.04 2.34 2.38 2ampB1 SER 228 H 0.03 -0.02 -0.08 -0.55 8.46 7.85 2ampB1 SER 228 HA 0.03 0.07 0.37 -0.75 4.49 4.21 2ampB1 SER 228 HB2 0.02 -0.15 0.24 -0.04 3.95 4.02 2ampB1 SER 228 HB3 0.01 0.09 0.05 -0.04 3.93 4.04 2ampB1 TYR 229 H 0.11 0.24 -0.08 -0.55 8.29 8.01 2ampB1 TYR 229 HA -0.01 0.03 0.27 -0.75 4.56 4.10 2ampB1 TYR 229 HB2 -0.09 -0.05 -0.06 -0.04 3.06 2.81 2ampB1 TYR 229 HB3 -0.02 0.01 -0.03 -0.04 2.98 2.90 2ampB1 TYR 229 HD2 -0.11 0.08 -0.06 -0.04 7.15 7.02 2ampB1 TYR 229 HE2 -0.03 0.02 -0.07 -0.04 6.85 6.72 2ampB1 ASN 230 H 0.15 0.67 -0.30 -0.55 8.53 8.50 2ampB1 ASN 230 HA 0.00 -0.13 0.38 -0.75 4.76 4.26 2ampB1 ASN 230 HB2 0.06 0.29 0.30 -0.04 2.88 3.49 2ampB1 ASN 230 HB3 0.04 -0.08 0.02 -0.04 2.79 2.73 2ampB1 ASN 230 HD21 0.21 -0.16 0.15 -0.04 7.03 7.19 2ampB1 ASN 230 HD22 0.32 -0.07 0.08 -0.04 7.74 8.04 2ampB1 THR 231 H 0.02 0.71 -0.02 -0.55 8.28 8.45 2ampB1 THR 231 HA 0.00 -0.01 0.46 -0.75 4.39 4.09 2ampB1 THR 231 HB 0.06 -0.10 0.25 -0.04 4.32 4.48 2ampB1 THR 231 HG23 0.03 -0.01 -0.06 -0.04 1.22 1.13 2ampB1 TRP 232 H 0.15 0.19 0.02 -0.55 7.97 7.79 2ampB1 TRP 232 HA -0.10 -0.00 0.31 -0.75 4.62 4.07 2ampB1 TRP 232 HB2 -0.13 -0.05 0.07 -0.04 3.23 3.08 2ampB1 TRP 232 HB3 -0.32 0.12 0.11 -0.04 3.23 3.10 2ampB1 TRP 232 HD1 -0.07 -0.01 -0.00 -0.04 7.22 7.09 2ampB1 TRP 232 HE1 -0.06 0.07 -0.03 -0.04 10.20 10.14 2ampB1 TRP 232 HE3 -0.71 0.04 -0.17 -0.04 7.59 6.70 2ampB1 TRP 232 HZ2 -0.11 0.10 -0.02 -0.04 7.44 7.37 2ampB1 TRP 232 HZ3 -1.05 -0.07 -0.15 -0.04 7.13 5.83 2ampB1 TRP 232 HH2 -0.72 0.02 -0.16 -0.04 7.19 6.29 2ampB1 ALA 233 H -0.12 0.75 -0.34 -0.55 8.40 8.15 2ampB1 ALA 233 HA -0.24 -0.10 0.35 -0.75 4.34 3.59 2ampB1 ALA 233 HB3 -0.19 0.15 0.08 -0.04 1.41 1.40 2ampB1 LYS 234 H -0.08 0.68 0.07 -0.55 8.42 8.54 2ampB1 LYS 234 HA -0.06 -0.06 0.37 -0.75 4.32 3.81 2ampB1 LYS 234 HB2 -0.04 0.20 0.29 -0.04 1.87 2.28 2ampB1 LYS 234 HB3 -0.05 -0.06 0.02 -0.04 1.79 1.66 2ampB1 LYS 234 HG2 -0.03 -0.05 0.09 -0.04 1.46 1.44 2ampB1 LYS 234 HG3 -0.02 -0.05 0.09 -0.04 1.46 1.44 2ampB1 LYS 234 HD2 -0.01 0.10 0.07 -0.04 1.69 1.81 2ampB1 LYS 234 HD3 -0.01 -0.04 0.03 -0.04 1.68 1.62 2ampB1 LYS 234 HE2 0.01 -0.04 0.01 -0.04 2.99 2.94 2ampB1 LYS 234 HE3 0.00 -0.03 0.01 -0.04 2.99 2.94 2ampB1 THR 235 H -0.26 0.61 -0.53 -0.55 8.28 7.55 2ampB1 THR 235 HA -0.13 0.16 1.01 -0.75 4.39 4.68 2ampB1 THR 235 HB -0.14 -0.04 -0.02 -0.04 4.32 4.07 2ampB1 THR 235 HG23 -0.34 0.01 -0.12 -0.04 1.22 0.74 2ampB1 ASN 236 H -0.56 0.51 0.15 -0.55 8.53 8.09 2ampB1 ASN 236 HA -0.25 0.22 1.01 -0.75 4.76 4.98 2ampB1 ASN 236 HB2 -1.37 -0.02 0.03 -0.04 2.88 1.48 2ampB1 ASN 236 HB3 -0.36 0.00 0.17 -0.04 2.79 2.55 2ampB1 ASN 236 HD21 -0.13 -0.03 -0.06 -0.04 7.03 6.77 2ampB1 ASN 236 HD22 -0.16 0.02 0.01 -0.04 7.74 7.57 2ampB1 SER 237 H -0.15 0.19 -0.27 -0.55 8.46 7.68 2ampB1 SER 237 HA -0.09 0.02 0.26 -0.75 4.49 3.92 2ampB1 SER 237 HB2 -0.16 0.18 0.14 -0.04 3.95 4.08 2ampB1 SER 237 HB3 -0.13 -0.03 0.18 -0.04 3.93 3.91 2ampB1 PHE 238 H 0.04 0.52 0.06 -0.55 8.34 8.41 2ampB1 PHE 238 HA -0.00 0.17 0.89 -0.75 4.62 4.93 2ampB1 PHE 238 HB2 -0.11 -0.02 0.08 -0.04 3.15 3.06 2ampB1 PHE 238 HB3 0.17 -0.03 -0.04 -0.04 3.06 3.13 2ampB1 PHE 238 HD2 -0.08 -0.06 -0.37 -0.04 7.28 6.73 2ampB1 PHE 238 HE2 0.03 0.03 -0.10 -0.04 7.38 7.30 2ampB1 PHE 238 HZ 0.15 0.00 -0.08 -0.04 7.32 7.35 2ampB1 THR 239 H 0.07 0.70 0.23 -0.55 8.28 8.73 2ampB1 THR 239 HA 0.06 0.08 0.31 -0.75 4.39 4.09 2ampB1 THR 239 HB 0.10 0.06 0.12 -0.04 4.32 4.57 2ampB1 THR 239 HG23 0.04 0.05 -0.00 -0.04 1.22 1.26 2ampB1 GLU 240 H 0.09 0.11 0.18 -0.55 8.60 8.43 2ampB1 GLU 240 HA 0.18 0.23 0.92 -0.75 4.29 4.87 2ampB1 GLU 240 HB2 0.06 0.02 0.07 -0.04 2.09 2.21 2ampB1 GLU 240 HB3 0.08 -0.03 -0.03 -0.04 1.99 1.97 2ampB1 GLU 240 HG2 0.09 0.01 0.06 -0.04 2.34 2.45 2ampB1 GLU 240 HG3 0.08 0.04 0.16 -0.04 2.34 2.58 2ampB1 LEU 241 H 0.22 0.20 0.10 -0.55 8.37 8.34 2ampB1 LEU 241 HA 0.12 0.06 0.69 -0.75 4.35 4.47 2ampB1 LEU 241 HB2 0.12 0.04 0.07 -0.04 1.64 1.82 2ampB1 LEU 241 HB3 0.04 -0.05 -0.19 -0.04 1.64 1.40 2ampB1 LEU 241 HG 0.06 0.05 -0.15 -0.04 1.64 1.55 2ampB1 LEU 241 HD13 -0.27 -0.00 -0.11 -0.04 0.93 0.51 2ampB1 LEU 241 HD23 0.02 0.01 -0.15 -0.04 0.89 0.73 2ampB1 SER 242 H 0.09 0.08 0.12 -0.55 8.46 8.21 2ampB1 SER 242 HA 0.06 0.25 0.83 -0.75 4.49 4.88 2ampB1 SER 242 HB2 0.05 0.04 0.04 -0.04 3.95 4.04 2ampB1 SER 242 HB3 0.06 0.06 0.02 -0.04 3.93 4.03 2ampB1 SER 243 H 0.09 0.13 0.11 -0.55 8.46 8.24 2ampB1 SER 243 HA 0.05 0.25 0.96 -0.75 4.49 5.00 2ampB1 SER 243 HB2 0.05 0.07 0.08 -0.04 3.95 4.11 2ampB1 SER 243 HB3 0.05 0.10 -0.09 -0.04 3.93 3.95 2ampB1 THR 244 H 0.05 0.25 0.08 -0.55 8.28 8.11 2ampB1 THR 244 HA 0.04 0.03 0.31 -0.75 4.39 4.03 2ampB1 THR 244 HB 0.03 -0.00 0.19 -0.04 4.32 4.50 2ampB1 THR 244 HG23 -0.03 -0.00 0.07 -0.04 1.22 1.22 2ampB1 ASP 245 H 0.10 -0.11 -1.34 -0.55 8.40 6.51 2ampB1 ASP 245 HA 0.09 0.08 0.28 -0.75 4.63 4.32 2ampB1 ASP 245 HB2 0.08 0.03 0.07 -0.04 2.71 2.85 2ampB1 ASP 245 HB3 0.06 -0.48 0.27 -0.04 2.70 2.51 2ampB1 ALA 246 H 0.04 0.16 0.09 -0.55 8.40 8.15 2ampB1 ALA 246 HA -0.09 0.06 0.43 -0.75 4.34 3.99 2ampB1 ALA 246 HB3 -0.20 0.02 -0.02 -0.04 1.41 1.17 2ampB1 PHE 247 H 0.57 0.59 0.58 -0.55 8.34 9.53 2ampB1 PHE 247 HA -0.02 0.03 0.58 -0.75 4.62 4.45 2ampB1 PHE 247 HB2 0.18 0.09 0.12 -0.04 3.15 3.50 2ampB1 PHE 247 HB3 0.34 -0.03 0.14 -0.04 3.06 3.47 2ampB1 PHE 247 HD2 0.27 0.20 -0.04 -0.04 7.28 7.67 2ampB1 PHE 247 HE2 0.08 -0.02 -0.01 -0.04 7.38 7.39 2ampB1 PHE 247 HZ 0.06 -0.04 0.11 -0.04 7.32 7.41 2ampB1 SER 248 H 0.09 0.17 -0.46 -0.55 8.46 7.72 2ampB1 SER 248 HA 0.05 0.06 0.32 -0.75 4.49 4.16 2ampB1 SER 248 HB2 0.01 0.07 -0.05 -0.04 3.95 3.94 2ampB1 SER 248 HB3 0.04 -0.01 0.02 -0.04 3.93 3.94 2ampB1 MET 249 H -0.03 0.14 -0.31 -0.55 8.47 7.71 2ampB1 MET 249 HA -0.05 0.08 0.34 -0.75 4.52 4.13 2ampB1 MET 249 HB2 -0.05 0.02 0.08 -0.04 2.15 2.16 2ampB1 MET 249 HB3 -0.09 -0.02 0.13 -0.04 2.03 2.00 2ampB1 MET 249 HG2 -0.06 0.03 -0.01 -0.04 2.63 2.54 2ampB1 MET 249 HG3 -0.10 -0.02 -0.10 -0.04 2.56 2.30 2ampB1 MET 249 HE3 -0.07 -0.04 -0.22 -0.04 2.10 1.73 2ampB1 LEU 250 H -0.19 0.06 -0.06 -0.55 8.37 7.64 2ampB1 LEU 250 HA -0.25 0.08 0.35 -0.75 4.35 3.77 2ampB1 LEU 250 HB2 -1.07 0.02 0.06 -0.04 1.64 0.61 2ampB1 LEU 250 HB3 -0.76 0.05 -0.03 -0.04 1.64 0.85 2ampB1 LEU 250 HG -0.18 -0.07 0.07 -0.04 1.64 1.41 2ampB1 LEU 250 HD13 0.06 -0.02 0.00 -0.04 0.93 0.93 2ampB1 LEU 250 HD23 -0.10 0.03 -0.10 -0.04 0.89 0.67 2ampB1 ALA 251 H -0.30 0.79 -0.19 -0.55 8.40 8.16 2ampB1 ALA 251 HA -0.01 0.27 0.31 -0.75 4.34 4.15 2ampB1 ALA 251 HB3 0.08 -0.05 0.00 -0.04 1.41 1.40 2ampB1 ALA 252 H -0.09 0.53 -0.49 -0.55 8.40 7.80 2ampB1 ALA 252 HA -0.02 0.05 0.65 -0.75 4.34 4.26 2ampB1 ALA 252 HB3 -0.03 0.02 0.14 -0.04 1.41 1.50 2ampB1 LYS 253 H -0.07 0.36 0.16 -0.55 8.42 8.32 2ampB1 LYS 253 HA -0.02 0.00 0.36 -0.75 4.32 3.92 2ampB1 LYS 253 HB2 -0.04 -0.04 0.12 -0.04 1.87 1.87 2ampB1 LYS 253 HB3 -0.09 0.00 0.10 -0.04 1.79 1.76 2ampB1 LYS 253 HG2 -0.03 0.04 0.00 -0.04 1.46 1.43 2ampB1 LYS 253 HG3 0.01 -0.01 0.09 -0.04 1.46 1.51 2ampB1 LYS 253 HD2 -0.09 -0.06 -0.05 -0.04 1.69 1.45 2ampB1 LYS 253 HD3 -0.11 0.01 0.01 -0.04 1.68 1.54 2ampB1 LYS 253 HE2 -0.02 -0.08 0.00 -0.04 2.99 2.86 2ampB1 LYS 253 HE3 -0.04 -0.03 -0.06 -0.04 2.99 2.83 2ampB1 THR 254 H -0.06 0.21 -0.87 -0.55 8.28 7.01 2ampB1 THR 254 HA -0.01 0.22 0.93 -0.75 4.39 4.78 2ampB1 THR 254 HB 0.03 -0.04 0.12 -0.04 4.32 4.39 2ampB1 THR 254 HG23 -0.02 0.03 -0.17 -0.04 1.22 1.01 2ampB1 GLY 255 H -0.01 0.43 -0.11 -0.55 8.43 8.20 2ampB1 GLY 255 HA2 0.00 -0.03 0.49 -0.51 4.01 3.97 2ampB1 GLY 255 HA3 0.00 -0.03 0.33 -0.51 4.01 3.79 2ampB1 GLN 256 H 0.06 0.31 -0.77 -0.55 8.47 7.53 2ampB1 GLN 256 HA 0.02 0.01 0.66 -0.75 4.36 4.30 2ampB1 GLN 256 HB2 0.10 0.01 0.02 -0.04 2.15 2.25 2ampB1 GLN 256 HB3 0.00 -0.05 -0.06 -0.04 2.02 1.87 2ampB1 GLN 256 HG2 -0.01 0.18 0.04 -0.04 2.40 2.57 2ampB1 GLN 256 HG3 -0.05 -0.00 0.00 -0.04 2.39 2.30 2ampB1 GLN 256 HE21 -0.03 -0.07 -0.02 -0.04 6.97 6.81 2ampB1 GLN 256 HE22 -0.01 0.08 -0.24 -0.04 7.69 7.48 2ampB1 SER 257 H 0.01 0.09 0.17 -0.55 8.46 8.18 2ampB1 SER 257 HA 0.13 0.23 0.75 -0.75 4.49 4.85 2ampB1 SER 257 HB2 0.02 -0.10 0.10 -0.04 3.95 3.93 2ampB1 SER 257 HB3 0.02 0.18 0.05 -0.04 3.93 4.14 2ampB1 VAL 258 H 0.04 0.21 0.14 -0.55 8.24 8.07 2ampB1 VAL 258 HA -0.30 0.13 0.36 -0.75 4.13 3.56 2ampB1 VAL 258 HB -0.12 -0.10 0.22 -0.04 2.12 2.07 2ampB1 VAL 258 HG13 -0.36 -0.00 -0.10 -0.04 0.97 0.47 2ampB1 VAL 258 HG23 -0.23 0.04 0.11 -0.04 0.95 0.84 2ampB1 GLU 259 H -0.09 0.12 -0.02 -0.55 8.60 8.05 2ampB1 GLU 259 HA -0.12 0.10 0.41 -0.75 4.29 3.93 2ampB1 GLU 259 HB2 -0.06 0.08 -0.07 -0.04 2.09 1.99 2ampB1 GLU 259 HB3 -0.05 0.12 0.08 -0.04 1.99 2.10 2ampB1 GLU 259 HG2 -0.04 -0.10 -0.03 -0.04 2.34 2.14 2ampB1 GLU 259 HG3 -0.03 0.10 0.01 -0.04 2.34 2.37 2ampB1 LYS 260 H -0.09 0.24 -0.47 -0.55 8.42 7.54 2ampB1 LYS 260 HA -0.10 0.12 0.64 -0.75 4.32 4.23 2ampB1 LYS 260 HB2 -0.09 0.14 0.06 -0.04 1.87 1.95 2ampB1 LYS 260 HB3 -0.08 0.08 0.15 -0.04 1.79 1.89 2ampB1 LYS 260 HG2 -0.06 0.01 0.02 -0.04 1.46 1.39 2ampB1 LYS 260 HG3 -0.05 -0.16 0.05 -0.04 1.46 1.25 2ampB1 LYS 260 HD2 -0.04 0.06 0.08 -0.04 1.69 1.75 2ampB1 LYS 260 HD3 -0.04 0.05 0.02 -0.04 1.68 1.67 2ampB1 LYS 260 HE2 -0.02 -0.05 0.06 -0.04 2.99 2.94 2ampB1 LYS 260 HE3 -0.00 -0.61 0.26 -0.04 2.99 2.60 2ampB1 LEU 261 H -0.20 1.55 0.19 -0.55 8.37 9.36 2ampB1 LEU 261 HA -0.17 0.17 0.77 -0.75 4.35 4.37 2ampB1 LEU 261 HB2 -0.36 -0.08 0.14 -0.04 1.64 1.30 2ampB1 LEU 261 HB3 -0.30 -0.05 0.00 -0.04 1.64 1.25 2ampB1 LEU 261 HG -0.37 0.14 -0.11 -0.04 1.64 1.25 2ampB1 LEU 261 HD13 -1.00 -0.02 -0.09 -0.04 0.93 -0.22 2ampB1 LEU 261 HD23 -0.19 0.02 -0.17 -0.04 0.89 0.51 2ampB1 LEU 262 H -0.29 0.28 -0.08 -0.55 8.37 7.74 2ampB1 LEU 262 HA -0.54 0.03 0.29 -0.75 4.35 3.38 2ampB1 LEU 262 HB2 -0.19 0.09 -0.03 -0.04 1.64 1.47 2ampB1 LEU 262 HB3 -0.48 -0.02 -0.02 -0.04 1.64 1.08 2ampB1 LEU 262 HG -0.31 -0.01 -0.29 -0.04 1.64 0.99 2ampB1 LEU 262 HD13 -0.21 0.00 -0.18 -0.04 0.93 0.50 2ampB1 LEU 262 HD23 -0.76 -0.01 -0.11 -0.04 0.89 -0.03 2ampB1 ASP 263 H -0.18 0.23 -0.56 -0.55 8.40 7.35 2ampB1 ASP 263 HA -0.20 0.01 0.36 -0.75 4.63 4.04 2ampB1 ASP 263 HB2 -0.12 -0.18 -0.00 -0.04 2.71 2.37 2ampB1 ASP 263 HB3 -0.13 0.23 0.02 -0.04 2.70 2.78 2ampB1 SER 264 H -0.16 0.17 -0.15 -0.55 8.46 7.77 2ampB1 SER 264 HA -0.13 0.08 0.41 -0.75 4.49 4.09 2ampB1 SER 264 HB2 -0.15 0.04 0.29 -0.04 3.95 4.09 2ampB1 SER 264 HB3 -0.15 -0.06 0.01 -0.04 3.93 3.69 2ampB1 ILE 265 H -0.22 0.63 -0.18 -0.55 8.25 7.92 2ampB1 ILE 265 HA -0.13 -0.02 0.21 -0.75 4.18 3.48 2ampB1 ILE 265 HB -0.24 0.20 0.07 -0.04 1.89 1.88 2ampB1 ILE 265 HG12 -0.05 -0.02 -0.11 -0.04 1.49 1.26 2ampB1 ILE 265 HG13 -0.20 0.09 -0.12 -0.04 1.21 0.94 2ampB1 ILE 265 HG23 -0.25 -0.01 -0.29 -0.04 0.93 0.35 2ampB1 ILE 265 HD13 -0.24 -0.04 -0.11 -0.04 0.88 0.45 2ampB1 VAL 266 H -0.53 0.34 -0.23 -0.55 8.24 7.27 2ampB1 VAL 266 HA -1.21 -0.01 0.30 -0.75 4.13 2.46 2ampB1 VAL 266 HB -0.54 0.13 0.11 -0.04 2.12 1.78 2ampB1 VAL 266 HG13 -0.76 -0.01 -0.10 -0.04 0.97 0.05 2ampB1 VAL 266 HG23 -1.57 0.03 0.05 -0.04 0.95 -0.59 2ampB1 ARG 267 H -0.23 0.52 -0.13 -0.55 8.46 8.06 2ampB1 ARG 267 HA -0.07 -0.02 0.38 -0.75 4.34 3.88 2ampB1 ARG 267 HB2 -0.10 0.10 0.17 -0.04 1.90 2.04 2ampB1 ARG 267 HB3 -0.03 -0.03 -0.00 -0.04 1.80 1.70 2ampB1 ARG 267 HG2 -0.10 -0.08 -0.01 -0.04 1.67 1.44 2ampB1 ARG 267 HG3 -0.12 0.09 -0.08 -0.04 1.67 1.52 2ampB1 ARG 267 HD2 -0.02 -0.01 -0.04 -0.04 3.22 3.11 2ampB1 ARG 267 HD3 -0.05 -0.06 -0.07 -0.04 3.22 3.00 2ampB1 LEU 268 H -0.08 0.71 -0.05 -0.55 8.37 8.40 2ampB1 LEU 268 HA 0.19 0.09 0.30 -0.75 4.35 4.18 2ampB1 LEU 268 HB2 0.03 0.06 -0.03 -0.04 1.64 1.66 2ampB1 LEU 268 HB3 0.38 -0.14 -0.05 -0.04 1.64 1.78 2ampB1 LEU 268 HG -0.17 0.17 0.05 -0.04 1.64 1.66 2ampB1 LEU 268 HD13 -0.44 -0.05 -0.22 -0.04 0.93 0.18 2ampB1 LEU 268 HD23 -0.49 -0.01 -0.09 -0.04 0.89 0.26 2ampB1 ASN 269 H 0.07 0.47 -0.37 -0.55 8.53 8.15 2ampB1 ASN 269 HA 0.24 -0.09 0.30 -0.75 4.76 4.45 2ampB1 ASN 269 HB2 0.40 -0.00 0.00 -0.04 2.88 3.24 2ampB1 ASN 269 HB3 0.45 0.11 0.04 -0.04 2.79 3.36 2ampB1 ASN 269 HD21 0.16 -0.01 0.06 -0.04 7.03 7.21 2ampB1 ASN 269 HD22 0.40 0.03 -0.02 -0.04 7.74 8.12 2ampB1 LYS 270 H 0.15 0.27 -0.83 -0.55 8.42 7.45 2ampB1 LYS 270 HA 0.09 0.14 0.79 -0.75 4.32 4.59 2ampB1 LYS 270 HB2 0.11 0.06 0.07 -0.04 1.87 2.07 2ampB1 LYS 270 HB3 0.08 -0.07 0.27 -0.04 1.79 2.03 2ampB1 LYS 270 HG2 0.16 0.01 -0.95 -0.04 1.46 0.63 2ampB1 LYS 270 HG3 0.11 -0.07 -0.05 -0.04 1.46 1.41 2ampB1 LYS 270 HD2 0.06 -0.10 0.09 -0.04 1.69 1.70 2ampB1 LYS 270 HD3 0.08 0.08 0.28 -0.04 1.68 2.08 2ampB1 LYS 270 HE2 0.07 -0.02 0.08 -0.04 2.99 3.08 2ampB1 LYS 270 HE3 0.11 -0.01 -0.00 -0.04 2.99 3.05 2ampB1 GLY 271 H 0.09 0.29 0.02 -0.55 8.43 8.28 2ampB1 GLY 271 HA2 -0.06 0.01 0.45 -0.51 4.01 3.90 2ampB1 GLY 271 HA3 0.07 0.15 0.81 -0.51 4.01 4.52 2ampB1 PHE 272 H 0.08 0.35 0.20 -0.55 8.34 8.42 2ampB1 PHE 272 HA 0.32 0.17 0.63 -0.75 4.62 4.98 2ampB1 PHE 272 HB2 0.19 0.23 0.07 -0.04 3.15 3.61 2ampB1 PHE 272 HB3 0.48 -0.17 -0.04 -0.04 3.06 3.29 2ampB1 PHE 272 HD2 0.24 0.06 -0.26 -0.04 7.28 7.29 2ampB1 PHE 272 HE2 0.14 0.04 -0.27 -0.04 7.38 7.25 2ampB1 PHE 272 HZ 0.01 -0.06 -0.58 -0.04 7.32 6.66 2ampB1 GLY 273 H 0.18 0.06 -0.44 -0.55 8.43 7.68 2ampB1 GLY 273 HA2 0.09 0.04 0.34 -0.51 4.01 3.97 2ampB1 GLY 273 HA3 0.11 0.07 0.22 -0.51 4.01 3.91 2ampB1 GLY 274 H 0.08 0.30 0.16 -0.55 8.43 8.42 2ampB1 GLY 274 HA2 0.02 0.03 0.37 -0.51 4.01 3.92 2ampB1 GLY 274 HA3 -0.02 0.01 0.37 -0.51 4.01 3.86 2ampB1 ARG 275 H -0.04 0.29 0.31 -0.55 8.46 8.46 2ampB1 ARG 275 HA -0.32 0.12 0.68 -0.75 4.34 4.06 2ampB1 ARG 275 HB2 -0.95 0.11 0.16 -0.04 1.90 1.18 2ampB1 ARG 275 HB3 -1.98 -0.04 0.17 -0.04 1.80 -0.09 2ampB1 ARG 275 HG2 -1.12 -0.02 0.05 -0.04 1.67 0.54 2ampB1 ARG 275 HG3 -0.47 -0.03 -0.06 -0.04 1.67 1.08 2ampB1 ARG 275 HD2 -0.62 0.00 -0.00 -0.04 3.22 2.56 2ampB1 ARG 275 HD3 -0.25 -0.02 -0.01 -0.04 3.22 2.90 2ampB1 THR 276 H -0.17 0.24 0.21 -0.55 8.28 8.02 2ampB1 THR 276 HA 0.64 0.26 0.68 -0.75 4.39 5.22 2ampB1 THR 276 HB 0.24 0.01 -0.35 -0.04 4.32 4.17 2ampB1 THR 276 HG23 0.09 0.01 -0.43 -0.04 1.22 0.85 2ampB1 ILE 277 H 0.56 0.86 0.17 -0.55 8.25 9.30 2ampB1 ILE 277 HA 0.37 0.14 0.86 -0.75 4.18 4.80 2ampB1 ILE 277 HB 0.48 0.04 0.02 -0.04 1.89 2.39 2ampB1 ILE 277 HG12 0.18 0.02 -0.13 -0.04 1.49 1.51 2ampB1 ILE 277 HG13 0.09 -0.05 -0.61 -0.04 1.21 0.60 2ampB1 ILE 277 HG23 -0.11 0.00 -0.15 -0.04 0.93 0.63 2ampB1 ILE 277 HD13 -1.15 0.00 -0.17 -0.04 0.88 -0.48 2ampB1 LEU 278 H 0.15 0.26 0.09 -0.55 8.37 8.33 2ampB1 LEU 278 HA 0.05 0.15 0.31 -0.75 4.35 4.11 2ampB1 LEU 278 HB2 0.11 0.13 -0.04 -0.04 1.64 1.81 2ampB1 LEU 278 HB3 0.02 -0.08 0.23 -0.04 1.64 1.78 2ampB1 LEU 278 HG -0.23 -0.06 -0.16 -0.04 1.64 1.15 2ampB1 LEU 278 HD13 -0.78 -0.01 -0.09 -0.04 0.93 0.01 2ampB1 LEU 278 HD23 -0.10 0.02 -0.16 -0.04 0.89 0.60 2ampB1 SER 279 H 0.16 0.02 -0.57 -0.55 8.46 7.52 2ampB1 SER 279 HA 0.07 0.00 0.15 -0.75 4.49 3.95 2ampB1 SER 279 HB2 -0.06 0.39 0.24 -0.04 3.95 4.48 2ampB1 SER 279 HB3 -0.08 -0.05 0.11 -0.04 3.93 3.87 2ampB1 TYR 280 H 0.39 0.72 -0.42 -0.55 8.29 8.44 2ampB1 TYR 280 HA 0.14 0.06 0.64 -0.75 4.56 4.65 2ampB1 TYR 280 HB2 0.50 0.19 0.16 -0.04 3.06 3.87 2ampB1 TYR 280 HB3 0.19 0.05 0.03 -0.04 2.98 3.20 2ampB1 TYR 280 HD2 0.20 0.03 0.02 -0.04 7.15 7.36 2ampB1 TYR 280 HE2 0.17 0.03 0.01 -0.04 6.85 7.02 2ampB1 GLY 281 H 0.13 0.12 0.18 -0.55 8.43 8.32 2ampB1 GLY 281 HA2 0.24 0.23 0.72 -0.51 4.01 4.69 2ampB1 GLY 281 HA3 0.01 0.02 0.31 -0.51 4.01 3.85 2ampB1 SER 282 H -0.10 0.06 -0.02 -0.55 8.46 7.85 2ampB1 SER 282 HA -1.19 0.18 0.79 -0.75 4.49 3.51 2ampB1 SER 282 HB2 -0.21 -0.01 0.13 -0.04 3.95 3.82 2ampB1 SER 282 HB3 -0.23 0.01 -0.08 -0.04 3.93 3.60 2ampB1 LEU 283 H -0.15 0.15 0.06 -0.55 8.37 7.88 2ampB1 LEU 283 HA -0.08 0.10 0.51 -0.75 4.35 4.13 2ampB1 LEU 283 HB2 0.09 0.02 0.03 -0.04 1.64 1.74 2ampB1 LEU 283 HB3 0.02 -0.03 -0.09 -0.04 1.64 1.50 2ampB1 LEU 283 HG 0.36 0.03 -0.17 -0.04 1.64 1.82 2ampB1 LEU 283 HD13 0.19 0.02 -0.20 -0.04 0.93 0.89 2ampB1 LEU 283 HD23 0.00 -0.01 -0.09 -0.04 0.89 0.76 2ampB1 CYS 284 H -1.00 0.23 0.15 -0.55 8.50 7.34 2ampB1 CYS 284 HA -0.32 0.14 0.84 -0.75 4.58 4.48 2ampB1 CYS 284 HB2 -0.79 0.11 -0.13 -0.04 2.97 2.12 2ampB1 CYS 284 HB3 -1.51 0.05 0.06 -0.04 2.97 1.53 2ampB1 ASP 285 H -0.14 0.18 0.04 -0.55 8.40 7.94 2ampB1 ASP 285 HA 0.02 0.35 0.79 -0.75 4.63 5.04 2ampB1 ASP 285 HB2 0.01 -0.02 0.16 -0.04 2.71 2.83 2ampB1 ASP 285 HB3 -0.04 0.05 -0.16 -0.04 2.70 2.51 2ampB1 GLU 286 H 0.07 0.14 -0.10 -0.55 8.60 8.16 2ampB1 GLU 286 HA -0.09 0.11 0.48 -0.75 4.29 4.04 2ampB1 GLU 286 HB2 -0.16 0.02 -0.01 -0.04 2.09 1.90 2ampB1 GLU 286 HB3 -0.36 0.07 -0.02 -0.04 1.99 1.64 2ampB1 GLU 286 HG2 -0.09 -0.13 -0.09 -0.04 2.34 1.99 2ampB1 GLU 286 HG3 -0.08 0.08 -0.01 -0.04 2.34 2.28 2ampB1 PHE 287 H 0.40 0.09 -0.29 -0.55 8.34 7.99 2ampB1 PHE 287 HA 0.03 0.20 0.85 -0.75 4.62 4.95 2ampB1 PHE 287 HB2 0.13 0.02 -0.10 -0.04 3.15 3.16 2ampB1 PHE 287 HB3 0.07 -0.03 -0.07 -0.04 3.06 2.99 2ampB1 PHE 287 HD2 0.07 -0.09 -0.15 -0.04 7.28 7.07 2ampB1 PHE 287 HE2 0.06 0.05 -0.37 -0.04 7.38 7.08 2ampB1 PHE 287 HZ 0.19 0.07 -0.23 -0.04 7.32 7.31 2ampB1 THR 288 H 0.13 0.13 0.17 -0.55 8.28 8.17 2ampB1 THR 288 HA 0.11 0.28 0.92 -0.75 4.39 4.94 2ampB1 THR 288 HB 0.03 0.00 0.13 -0.04 4.32 4.44 2ampB1 THR 288 HG23 0.03 0.04 -0.03 -0.04 1.22 1.22 2ampB1 PRO 289 HA -0.01 0.08 0.37 -0.51 4.44 4.37 2ampB1 PRO 289 HB2 -0.19 0.02 0.04 -0.04 2.28 2.11 2ampB1 PRO 289 HB3 -0.35 0.07 0.02 -0.04 2.02 1.72 2ampB1 PRO 289 HG2 -0.43 0.02 0.03 -0.04 2.03 1.62 2ampB1 PRO 289 HG3 -0.23 0.06 0.06 -0.04 2.03 1.88 2ampB1 PRO 289 HD2 -0.01 0.12 0.16 -0.04 3.68 3.91 2ampB1 PRO 289 HD3 0.10 0.21 0.05 -0.04 3.65 3.97 2ampB1 THR 290 H -0.02 0.08 -0.35 -0.55 8.28 7.44 2ampB1 THR 290 HA -0.02 0.09 0.36 -0.75 4.39 4.06 2ampB1 THR 290 HB 0.00 -0.08 0.07 -0.04 4.32 4.27 2ampB1 THR 290 HG23 0.01 0.04 -0.16 -0.04 1.22 1.06 2ampB1 GLU 291 H 0.05 0.11 -0.10 -0.55 8.60 8.12 2ampB1 GLU 291 HA 0.05 0.10 0.43 -0.75 4.29 4.12 2ampB1 GLU 291 HB2 0.19 -0.02 0.12 -0.04 2.09 2.34 2ampB1 GLU 291 HB3 0.13 0.09 0.05 -0.04 1.99 2.22 2ampB1 GLU 291 HG2 0.03 0.05 0.05 -0.04 2.34 2.43 2ampB1 GLU 291 HG3 0.05 -0.16 0.20 -0.04 2.34 2.39 2ampB1 VAL 292 H 0.09 0.36 -0.13 -0.55 8.24 8.01 2ampB1 VAL 292 HA 0.04 0.06 0.33 -0.75 4.13 3.80 2ampB1 VAL 292 HB 0.04 -0.02 0.04 -0.04 2.12 2.14 2ampB1 VAL 292 HG13 0.00 0.02 -0.16 -0.04 0.97 0.79 2ampB1 VAL 292 HG23 0.07 0.01 -0.23 -0.04 0.95 0.76 2ampB1 ILE 293 H 0.00 0.59 -0.21 -0.55 8.25 8.09 2ampB1 ILE 293 HA -0.02 0.05 0.31 -0.75 4.18 3.77 2ampB1 ILE 293 HB -0.02 0.05 0.12 -0.04 1.89 2.00 2ampB1 ILE 293 HG12 -0.06 -0.06 -0.01 -0.04 1.49 1.31 2ampB1 ILE 293 HG13 -0.05 0.15 0.08 -0.04 1.21 1.35 2ampB1 ILE 293 HG23 -0.02 -0.02 -0.14 -0.04 0.93 0.71 2ampB1 ILE 293 HD13 -0.09 -0.06 -0.11 -0.04 0.88 0.58 2ampB1 ARG 294 H 0.02 0.60 -0.04 -0.55 8.46 8.48 2ampB1 ARG 294 HA 0.02 -0.09 0.32 -0.75 4.34 3.83 2ampB1 ARG 294 HB2 0.02 0.21 0.17 -0.04 1.90 2.27 2ampB1 ARG 294 HB3 0.03 -0.01 -0.00 -0.04 1.80 1.77 2ampB1 ARG 294 HG2 0.02 0.03 -0.00 -0.04 1.67 1.68 2ampB1 ARG 294 HG3 0.02 -0.07 0.03 -0.04 1.67 1.61 2ampB1 ARG 294 HD2 0.01 -0.05 -0.03 -0.04 3.22 3.11 2ampB1 ARG 294 HD3 0.01 -0.02 0.00 -0.04 3.22 3.17 2ampB1 GLN 295 H 0.05 0.83 -0.03 -0.55 8.47 8.78 2ampB1 GLN 295 HA 0.05 0.02 0.53 -0.75 4.36 4.21 2ampB1 GLN 295 HB2 0.08 0.13 0.10 -0.04 2.15 2.42 2ampB1 GLN 295 HB3 0.07 -0.04 -0.07 -0.04 2.02 1.94 2ampB1 GLN 295 HG2 0.07 0.01 0.03 -0.04 2.40 2.47 2ampB1 GLN 295 HG3 0.08 -0.09 0.03 -0.04 2.39 2.37 2ampB1 GLN 295 HE21 0.23 0.15 0.16 -0.04 6.97 7.46 2ampB1 GLN 295 HE22 0.12 -0.07 0.03 -0.04 7.69 7.73 2ampB1 MET 296 H 0.03 0.53 -0.03 -0.55 8.47 8.45 2ampB1 MET 296 HA 0.06 0.04 0.46 -0.75 4.52 4.32 2ampB1 MET 296 HB2 -0.03 0.12 0.02 -0.04 2.15 2.21 2ampB1 MET 296 HB3 -0.15 -0.13 0.12 -0.04 2.03 1.83 2ampB1 MET 296 HG2 -0.03 -0.05 0.14 -0.04 2.63 2.65 2ampB1 MET 296 HG3 -0.09 -0.12 0.03 -0.04 2.56 2.34 2ampB1 MET 296 HE3 0.02 0.01 -0.16 -0.04 2.10 1.93 2ampB1 TYR 297 H 0.17 0.08 0.10 -0.55 8.29 8.09 2ampB1 TYR 297 HA -0.00 0.00 0.37 -0.75 4.56 4.18 2ampB1 TYR 297 HB2 -0.01 -0.03 0.20 -0.04 3.06 3.17 2ampB1 TYR 297 HB3 -0.01 -0.02 0.12 -0.04 2.98 3.03 2ampB1 TYR 297 HD2 -0.01 -0.03 0.10 -0.04 7.15 7.18 2ampB1 TYR 297 HE2 -0.00 0.02 0.05 -0.04 6.85 6.88 2ampB1 GLY 298 H 0.08 0.24 0.34 -0.55 8.43 8.55 2ampB1 GLY 298 HA2 0.04 -0.14 0.39 -0.51 4.01 3.79 2ampB1 GLY 298 HA3 0.04 0.20 0.43 -0.51 4.01 4.17 2ampB1 VAL 299 H 0.02 0.05 0.07 -0.55 8.24 7.83 2ampB1 VAL 299 HA 0.01 0.03 0.16 -0.75 4.13 3.57 2ampB1 VAL 299 HB 0.01 -0.02 0.09 -0.04 2.12 2.16 2ampB1 VAL 299 HG13 0.01 -0.01 0.07 -0.04 0.97 1.00 2ampB1 VAL 299 HG23 0.01 0.00 -0.02 -0.04 0.95 0.90