============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. PHE 2 1.000 13.441 18.385 -32.459 -99.200 -91.000 PHE 44 1.000 -8.758 31.252 -8.807 -99.200 -91.000 HIS 45 0.900 -1.257 36.791 -10.588 -99.200 -91.000 PHE 49 1.000 -10.227 36.489 -9.352 -99.200 -91.000 TYR 61 0.840 -22.945 53.713 -19.131 -99.200 -91.000 PHE 63 1.000 -24.724 43.460 -22.584 -99.200 -91.000 HIS 78 0.900 -20.413 33.076 -35.662 -99.200 -91.000 TRP 103 1.040 -25.643 38.385 -38.110 -99.200 -91.000 TRP6 103 1.020 -23.466 37.497 -38.414 -99.200 -91.000 TYR 114 0.840 -25.371 23.746 -28.696 -99.200 -91.000 PHE 129 1.000 -39.076 38.411 -38.509 -99.200 -91.000 HIS 141 0.900 -44.183 27.441 -34.296 -99.200 -91.000 PHE 147 1.000 -30.840 34.651 -32.204 -99.200 -91.000 HIS 150 0.900 -31.559 46.194 -31.005 -99.200 -91.000 HIS 169 0.900 -40.273 38.041 -19.762 -99.200 -91.000 HIS 171 0.900 -48.157 33.794 -24.989 -99.200 -91.000 PHE 188 1.000 -30.212 45.902 -25.633 -99.200 -91.000 TYR 189 0.840 -33.186 52.441 -22.946 -99.200 -91.000 TRP 193 1.040 -36.632 48.273 -24.537 -99.200 -91.000 TRP6 193 1.020 -35.027 48.610 -26.255 -99.200 -91.000 TYR 199 0.840 -25.208 36.884 -28.942 -99.200 -91.000 PHE 234 1.000 -15.668 22.507 -17.569 -99.200 -91.000 TYR 235 0.840 -13.888 27.756 -23.848 -99.200 -91.000 TRP 236 1.040 -20.594 27.390 -24.919 -99.200 -91.000 TRP6 236 1.020 -19.158 27.557 -26.801 -99.200 -91.000 TYR 244 0.840 -11.918 33.019 -13.427 -99.200 -91.000 TRP 245 1.040 -16.067 35.984 -16.299 -99.200 -91.000 TRP6 245 1.020 -15.436 38.137 -17.034 -99.200 -91.000 TYR 248 0.840 -23.648 32.392 -11.083 -99.200 -91.000 TYR 254 0.840 -8.411 26.477 -14.425 -99.200 -91.000 HIS 255 0.900 -15.420 27.389 -17.174 -99.200 -91.000 HIS 256 0.900 -12.475 29.982 -19.786 -99.200 -91.000 PHE 264 1.000 -4.770 42.986 -18.714 -99.200 -91.000 TYR 293 0.840 -28.889 56.638 -43.387 -99.200 -91.000 PHE 304 1.000 -30.950 44.336 -48.417 -99.200 -91.000 HIS 310 0.900 -39.120 49.443 -41.276 -99.200 -91.000 TRP 326 1.040 -18.764 42.708 -55.045 -99.200 -91.000 TRP6 326 1.020 -17.214 42.529 -53.251 -99.200 -91.000 TRP 327 1.040 -12.593 42.095 -54.671 -99.200 -91.000 TRP6 327 1.020 -10.582 41.883 -55.881 -99.200 -91.000 TYR 332 0.840 -8.773 53.602 -57.607 -99.200 -91.000 PHE 337 1.000 -8.894 57.162 -52.341 -99.200 -91.000 PHE 349 1.000 -22.099 36.214 -52.068 -99.200 -91.000 TRP 353 1.040 -19.264 48.117 -52.634 -99.200 -91.000 TRP6 353 1.020 -20.442 49.262 -54.333 -99.200 -91.000 PHE 369 1.000 -10.125 59.288 -46.553 -99.200 -91.000 TYR 370 0.840 -17.231 54.142 -46.789 -99.200 -91.000 TYR 372 0.840 -11.571 62.483 -51.733 -99.200 -91.000 PHE 374 1.000 -18.890 53.570 -52.650 -99.200 -91.000 HIS 382 0.900 -16.940 49.876 -62.204 -99.200 -91.000 TYR 385 0.840 -22.808 55.551 -60.654 -99.200 -91.000 PHE 387 1.000 -20.169 59.357 -59.229 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ch1A1 LYS 2 HA -0.11 -0.07 0.19 -0.75 4.32 3.57 2ch1A1 LYS 2 HB2 -0.02 0.02 -0.02 -0.04 1.87 1.80 2ch1A1 LYS 2 HB3 -0.05 -0.03 0.03 -0.04 1.79 1.70 2ch1A1 LYS 2 HG2 -0.07 -0.03 -0.02 -0.04 1.46 1.31 2ch1A1 LYS 2 HG3 -0.12 -0.01 -0.07 -0.04 1.46 1.22 2ch1A1 LYS 2 HD2 -0.02 0.01 -0.09 -0.04 1.69 1.55 2ch1A1 LYS 2 HD3 -0.03 -0.02 -0.07 -0.04 1.68 1.51 2ch1A1 LYS 2 HE2 -0.01 0.11 -0.45 -0.04 2.99 2.61 2ch1A1 LYS 2 HE3 -0.01 -0.02 -0.16 -0.04 2.99 2.76 2ch1A1 PHE 3 H 0.15 0.15 0.08 -0.55 8.34 8.16 2ch1A1 PHE 3 HA 0.00 0.15 0.86 -0.75 4.62 4.87 2ch1A1 PHE 3 HB2 0.00 -0.03 -0.01 -0.04 3.15 3.07 2ch1A1 PHE 3 HB3 0.00 0.09 -0.00 -0.04 3.06 3.10 2ch1A1 PHE 3 HD2 0.00 -0.02 -0.03 -0.04 7.28 7.19 2ch1A1 PHE 3 HE2 0.00 -0.02 -0.04 -0.04 7.38 7.28 2ch1A1 PHE 3 HZ 0.00 -0.03 -0.04 -0.04 7.32 7.21 2ch1A1 THR 4 H 0.11 0.09 0.12 -0.55 8.28 8.06 2ch1A1 THR 4 HA 0.05 0.07 0.58 -0.75 4.39 4.34 2ch1A1 THR 4 HB 0.03 -0.02 0.12 -0.04 4.32 4.41 2ch1A1 THR 4 HG23 0.06 -0.01 0.10 -0.04 1.22 1.33 2ch1A1 PRO 5 HA 0.05 0.08 0.16 -0.51 4.44 4.22 2ch1A1 PRO 5 HB2 0.02 0.12 -0.00 -0.04 2.28 2.38 2ch1A1 PRO 5 HB3 0.03 -0.01 0.12 -0.04 2.02 2.12 2ch1A1 PRO 5 HG2 0.02 -0.00 0.03 -0.04 2.03 2.04 2ch1A1 PRO 5 HG3 0.02 0.00 0.07 -0.04 2.03 2.09 2ch1A1 PRO 5 HD2 0.03 0.02 0.19 -0.04 3.68 3.87 2ch1A1 PRO 5 HD3 0.04 0.15 0.25 -0.04 3.65 4.04 2ch1A1 PRO 6 HA 0.00 0.11 0.55 -0.51 4.44 4.59 2ch1A1 PRO 6 HB2 0.00 0.09 -0.07 -0.04 2.28 2.26 2ch1A1 PRO 6 HB3 -0.01 0.01 0.09 -0.04 2.02 2.07 2ch1A1 PRO 6 HG2 0.01 0.00 0.03 -0.04 2.03 2.03 2ch1A1 PRO 6 HG3 0.00 0.03 0.04 -0.04 2.03 2.06 2ch1A1 PRO 6 HD2 0.02 0.05 0.20 -0.04 3.68 3.91 2ch1A1 PRO 6 HD3 0.02 0.14 0.10 -0.04 3.65 3.87 2ch1A1 PRO 7 HA 0.01 0.09 0.49 -0.51 4.44 4.51 2ch1A1 PRO 7 HB2 0.01 -0.11 0.03 -0.04 2.28 2.16 2ch1A1 PRO 7 HB3 0.01 0.09 0.11 -0.04 2.02 2.18 2ch1A1 PRO 7 HG2 0.00 -0.03 0.08 -0.04 2.03 2.04 2ch1A1 PRO 7 HG3 0.00 0.07 0.08 -0.04 2.03 2.14 2ch1A1 PRO 7 HD2 -0.00 0.10 0.20 -0.04 3.68 3.93 2ch1A1 PRO 7 HD3 0.00 0.19 0.22 -0.04 3.65 4.03 2ch1A1 ALA 8 H 0.01 0.16 0.19 -0.55 8.40 8.21 2ch1A1 ALA 8 HA 0.01 0.17 0.41 -0.75 4.34 4.17 2ch1A1 ALA 8 HB3 0.01 0.02 0.08 -0.04 1.41 1.48 2ch1A1 SER 9 H 0.01 0.04 -0.09 -0.55 8.46 7.87 2ch1A1 SER 9 HA 0.01 0.09 0.46 -0.75 4.49 4.30 2ch1A1 SER 9 HB2 0.01 0.06 0.07 -0.04 3.95 4.05 2ch1A1 SER 9 HB3 0.01 -0.01 0.10 -0.04 3.93 3.98 2ch1A1 LEU 10 H 0.01 0.26 -0.58 -0.55 8.37 7.51 2ch1A1 LEU 10 HA 0.01 0.16 0.57 -0.75 4.35 4.34 2ch1A1 LEU 10 HB2 0.00 0.14 0.02 -0.04 1.64 1.76 2ch1A1 LEU 10 HB3 0.00 -0.00 0.10 -0.04 1.64 1.70 2ch1A1 LEU 10 HG 0.01 -0.11 -0.10 -0.04 1.64 1.40 2ch1A1 LEU 10 HD13 0.00 -0.00 0.01 -0.04 0.93 0.90 2ch1A1 LEU 10 HD23 0.01 0.01 -0.05 -0.04 0.89 0.82 2ch1A1 ARG 11 H 0.01 0.43 -0.32 -0.55 8.46 8.02 2ch1A1 ARG 11 HA 0.00 0.08 0.51 -0.75 4.34 4.18 2ch1A1 ARG 11 HB2 0.01 0.29 0.20 -0.04 1.90 2.35 2ch1A1 ARG 11 HB3 0.01 -0.05 -0.04 -0.04 1.80 1.68 2ch1A1 ARG 11 HG2 0.00 -0.02 0.03 -0.04 1.67 1.64 2ch1A1 ARG 11 HG3 0.00 -0.00 -0.04 -0.04 1.67 1.59 2ch1A1 ARG 11 HD2 0.01 -0.01 0.01 -0.04 3.22 3.18 2ch1A1 ARG 11 HD3 0.01 -0.03 -0.01 -0.04 3.22 3.14 2ch1A1 ASN 12 H 0.01 0.09 -0.14 -0.55 8.53 7.95 2ch1A1 ASN 12 HA 0.01 0.08 0.62 -0.75 4.76 4.71 2ch1A1 ASN 12 HB2 0.01 0.05 0.01 -0.04 2.88 2.91 2ch1A1 ASN 12 HB3 0.01 0.05 0.04 -0.04 2.79 2.85 2ch1A1 ASN 12 HD21 0.01 -0.07 0.00 -0.04 7.03 6.93 2ch1A1 ASN 12 HD22 0.01 0.06 0.04 -0.04 7.74 7.81 2ch1A1 PRO 13 HA 0.01 0.05 0.51 -0.51 4.44 4.50 2ch1A1 PRO 13 HB2 0.01 0.01 -0.08 -0.04 2.28 2.18 2ch1A1 PRO 13 HB3 0.01 0.02 0.08 -0.04 2.02 2.08 2ch1A1 PRO 13 HG2 0.01 -0.00 0.06 -0.04 2.03 2.05 2ch1A1 PRO 13 HG3 0.01 0.06 0.07 -0.04 2.03 2.12 2ch1A1 PRO 13 HD2 0.01 0.05 0.17 -0.04 3.68 3.87 2ch1A1 PRO 13 HD3 0.01 0.17 0.24 -0.04 3.65 4.03 2ch1A1 LEU 14 H 0.01 0.09 0.14 -0.55 8.37 8.06 2ch1A1 LEU 14 HA 0.02 0.09 0.58 -0.75 4.35 4.29 2ch1A1 LEU 14 HB2 0.02 0.04 0.10 -0.04 1.64 1.75 2ch1A1 LEU 14 HB3 0.02 -0.03 0.14 -0.04 1.64 1.72 2ch1A1 LEU 14 HG 0.02 -0.03 -0.23 -0.04 1.64 1.37 2ch1A1 LEU 14 HD13 0.02 0.00 -0.02 -0.04 0.93 0.89 2ch1A1 LEU 14 HD23 0.02 -0.01 -0.03 -0.04 0.89 0.83 2ch1A1 ILE 15 H 0.02 0.24 0.07 -0.55 8.25 8.02 2ch1A1 ILE 15 HA 0.02 0.14 0.78 -0.75 4.18 4.35 2ch1A1 ILE 15 HB 0.01 0.00 0.07 -0.04 1.89 1.93 2ch1A1 ILE 15 HG12 0.01 0.01 -0.09 -0.04 1.49 1.37 2ch1A1 ILE 15 HG13 0.01 0.02 -0.72 -0.04 1.21 0.48 2ch1A1 ILE 15 HG23 0.01 -0.01 -0.20 -0.04 0.93 0.69 2ch1A1 ILE 15 HD13 0.01 -0.01 -0.08 -0.04 0.88 0.76 2ch1A1 ILE 16 H 0.02 0.22 0.01 -0.55 8.25 7.95 2ch1A1 ILE 16 HA 0.03 0.23 0.94 -0.75 4.18 4.63 2ch1A1 ILE 16 HB 0.03 -0.04 0.06 -0.04 1.89 1.90 2ch1A1 ILE 16 HG12 0.02 -0.09 -0.25 -0.04 1.49 1.13 2ch1A1 ILE 16 HG13 0.03 -0.01 -0.07 -0.04 1.21 1.12 2ch1A1 ILE 16 HG23 0.03 0.04 -0.09 -0.04 0.93 0.87 2ch1A1 ILE 16 HD13 0.03 0.07 -0.11 -0.04 0.88 0.83 2ch1A1 PRO 17 HA 0.02 0.03 0.48 -0.51 4.44 4.46 2ch1A1 PRO 17 HB2 0.02 0.18 -0.05 -0.04 2.28 2.40 2ch1A1 PRO 17 HB3 0.02 0.00 0.05 -0.04 2.02 2.05 2ch1A1 PRO 17 HG2 0.03 0.01 -0.02 -0.04 2.03 2.01 2ch1A1 PRO 17 HG3 0.02 0.04 0.02 -0.04 2.03 2.07 2ch1A1 PRO 17 HD2 0.03 0.05 0.19 -0.04 3.68 3.91 2ch1A1 PRO 17 HD3 0.02 0.22 0.11 -0.04 3.65 3.96 2ch1A1 GLU 18 H 0.02 0.08 0.16 -0.55 8.60 8.31 2ch1A1 GLU 18 HA 0.03 0.09 0.79 -0.75 4.29 4.44 2ch1A1 GLU 18 HB2 0.02 -0.02 0.13 -0.04 2.09 2.18 2ch1A1 GLU 18 HB3 0.02 0.03 0.00 -0.04 1.99 2.00 2ch1A1 GLU 18 HG2 0.02 0.02 0.06 -0.04 2.34 2.39 2ch1A1 GLU 18 HG3 0.02 -0.00 0.06 -0.04 2.34 2.37 2ch1A1 LYS 19 H 0.04 0.20 0.19 -0.55 8.42 8.30 2ch1A1 LYS 19 HA 0.06 0.26 0.83 -0.75 4.32 4.72 2ch1A1 LYS 19 HB2 0.07 -0.07 -0.07 -0.04 1.87 1.76 2ch1A1 LYS 19 HB3 0.08 0.01 -0.10 -0.04 1.79 1.74 2ch1A1 LYS 19 HG2 0.05 0.09 -0.21 -0.04 1.46 1.36 2ch1A1 LYS 19 HG3 0.05 0.07 -0.51 -0.04 1.46 1.03 2ch1A1 LYS 19 HD2 0.07 -0.04 -0.13 -0.04 1.69 1.55 2ch1A1 LYS 19 HD3 0.07 -0.01 -0.14 -0.04 1.68 1.55 2ch1A1 LYS 19 HE2 0.05 0.05 -0.10 -0.04 2.99 2.95 2ch1A1 LYS 19 HE3 0.07 -0.05 -0.07 -0.04 2.99 2.89 2ch1A1 ILE 20 H 0.11 1.01 0.33 -0.55 8.25 9.16 2ch1A1 ILE 20 HA 0.09 0.05 0.86 -0.75 4.18 4.43 2ch1A1 ILE 20 HB 0.22 0.04 0.21 -0.04 1.89 2.32 2ch1A1 ILE 20 HG12 0.04 -0.06 -0.02 -0.04 1.49 1.41 2ch1A1 ILE 20 HG13 0.08 -0.05 -0.16 -0.04 1.21 1.04 2ch1A1 ILE 20 HG23 0.20 -0.02 -0.06 -0.04 0.93 1.01 2ch1A1 ILE 20 HD13 0.13 0.05 -0.03 -0.04 0.88 1.00 2ch1A1 MET 21 H 0.08 0.18 0.08 -0.55 8.47 8.26 2ch1A1 MET 21 HA 0.11 0.03 0.31 -0.75 4.52 4.22 2ch1A1 MET 21 HB2 0.06 -0.18 0.10 -0.04 2.15 2.09 2ch1A1 MET 21 HB3 0.07 0.30 0.06 -0.04 2.03 2.41 2ch1A1 MET 21 HG2 0.07 0.08 -0.22 -0.04 2.63 2.52 2ch1A1 MET 21 HG3 0.06 0.01 -0.14 -0.04 2.56 2.45 2ch1A1 MET 21 HE3 0.08 0.01 -0.09 -0.04 2.10 2.07 2ch1A1 MET 22 H 0.16 0.31 0.41 -0.55 8.47 8.80 2ch1A1 MET 22 HA 0.05 0.25 1.00 -0.75 4.52 5.07 2ch1A1 MET 22 HB2 0.33 0.05 0.18 -0.04 2.15 2.67 2ch1A1 MET 22 HB3 -0.04 0.06 0.29 -0.04 2.03 2.29 2ch1A1 MET 22 HG2 0.07 0.06 -0.11 -0.04 2.63 2.61 2ch1A1 MET 22 HG3 0.16 -0.14 -0.39 -0.04 2.56 2.14 2ch1A1 MET 22 HE3 -0.06 0.02 -0.03 -0.04 2.10 1.99 2ch1A1 GLY 23 H 0.11 0.01 -0.14 -0.55 8.43 7.86 2ch1A1 GLY 23 HA2 0.10 0.37 0.87 -0.51 4.01 4.84 2ch1A1 GLY 23 HA3 0.12 0.00 0.32 -0.51 4.01 3.94 2ch1A1 PRO 24 HA 0.03 0.17 0.35 -0.51 4.44 4.49 2ch1A1 PRO 24 HB2 0.09 -0.11 0.08 -0.04 2.28 2.30 2ch1A1 PRO 24 HB3 0.06 0.06 -0.10 -0.04 2.02 2.00 2ch1A1 PRO 24 HG2 0.12 -0.02 -0.12 -0.04 2.03 1.96 2ch1A1 PRO 24 HG3 0.08 0.09 -0.06 -0.04 2.03 2.10 2ch1A1 PRO 24 HD2 0.11 0.09 0.07 -0.04 3.68 3.91 2ch1A1 PRO 24 HD3 0.09 0.28 0.06 -0.04 3.65 4.04 2ch1A1 GLY 25 H 0.07 0.15 -1.00 -0.55 8.43 7.10 2ch1A1 GLY 25 HA2 0.04 -0.01 0.10 -0.51 4.01 3.63 2ch1A1 GLY 25 HA3 0.05 0.07 0.63 -0.51 4.01 4.25 2ch1A1 PRO 26 HA 0.04 0.22 0.38 -0.51 4.44 4.56 2ch1A1 PRO 26 HB2 0.05 0.18 -0.00 -0.04 2.28 2.46 2ch1A1 PRO 26 HB3 0.05 -0.11 0.12 -0.04 2.02 2.04 2ch1A1 PRO 26 HG2 0.07 0.06 0.02 -0.04 2.03 2.13 2ch1A1 PRO 26 HG3 0.07 -0.02 0.06 -0.04 2.03 2.09 2ch1A1 PRO 26 HD2 0.09 0.09 0.31 -0.04 3.68 4.13 2ch1A1 PRO 26 HD3 0.08 0.05 0.10 -0.04 3.65 3.84 2ch1A1 SER 27 H 0.03 0.51 0.13 -0.55 8.46 8.58 2ch1A1 SER 27 HA 0.04 0.32 0.78 -0.75 4.49 4.88 2ch1A1 SER 27 HB2 0.02 -0.01 -0.21 -0.04 3.95 3.71 2ch1A1 SER 27 HB3 0.01 0.05 -0.12 -0.04 3.93 3.83 2ch1A1 ASN 28 H 0.04 0.21 0.18 -0.55 8.53 8.41 2ch1A1 ASN 28 HA 0.04 0.11 0.73 -0.75 4.76 4.88 2ch1A1 ASN 28 HB2 0.03 -0.11 0.19 -0.04 2.88 2.95 2ch1A1 ASN 28 HB3 0.03 0.10 -0.01 -0.04 2.79 2.87 2ch1A1 ASN 28 HD21 0.05 0.35 0.21 -0.04 7.03 7.60 2ch1A1 ASN 28 HD22 0.04 0.02 0.13 -0.04 7.74 7.88 2ch1A1 CYS 29 H 0.03 0.17 0.11 -0.55 8.50 8.26 2ch1A1 CYS 29 HA 0.02 0.19 0.80 -0.75 4.58 4.83 2ch1A1 CYS 29 HB2 0.03 -0.04 -0.02 -0.04 2.97 2.89 2ch1A1 CYS 29 HB3 0.03 0.01 0.02 -0.04 2.97 2.99 2ch1A1 SER 30 H 0.02 0.22 0.18 -0.55 8.46 8.33 2ch1A1 SER 30 HA 0.01 0.15 0.58 -0.75 4.49 4.48 2ch1A1 SER 30 HB2 0.01 -0.02 0.15 -0.04 3.95 4.05 2ch1A1 SER 30 HB3 0.01 0.16 0.15 -0.04 3.93 4.20 2ch1A1 LYS 31 H 0.01 0.20 0.17 -0.55 8.42 8.24 2ch1A1 LYS 31 HA 0.01 0.12 0.48 -0.75 4.32 4.18 2ch1A1 LYS 31 HB2 0.01 0.07 0.16 -0.04 1.87 2.06 2ch1A1 LYS 31 HB3 0.01 -0.04 0.12 -0.04 1.79 1.84 2ch1A1 LYS 31 HG2 0.01 -0.03 -0.02 -0.04 1.46 1.38 2ch1A1 LYS 31 HG3 0.01 0.05 0.03 -0.04 1.46 1.50 2ch1A1 LYS 31 HD2 0.00 -0.04 -0.08 -0.04 1.69 1.53 2ch1A1 LYS 31 HD3 0.00 0.02 -0.08 -0.04 1.68 1.58 2ch1A1 LYS 31 HE2 -0.00 0.01 -0.01 -0.04 2.99 2.95 2ch1A1 LYS 31 HE3 0.00 0.02 -0.01 -0.04 2.99 2.96 2ch1A1 ARG 32 H 0.01 0.10 -0.12 -0.55 8.46 7.89 2ch1A1 ARG 32 HA 0.01 0.08 0.39 -0.75 4.34 4.07 2ch1A1 ARG 32 HB2 0.00 0.02 0.08 -0.04 1.90 1.97 2ch1A1 ARG 32 HB3 0.01 -0.03 0.06 -0.04 1.80 1.79 2ch1A1 ARG 32 HG2 0.01 0.03 -0.27 -0.04 1.67 1.40 2ch1A1 ARG 32 HG3 0.00 0.00 -0.00 -0.04 1.67 1.63 2ch1A1 ARG 32 HD2 0.00 -0.00 -0.01 -0.04 3.22 3.17 2ch1A1 ARG 32 HD3 0.01 0.04 -0.02 -0.04 3.22 3.20 2ch1A1 VAL 33 H 0.02 0.05 -0.28 -0.55 8.24 7.48 2ch1A1 VAL 33 HA 0.04 0.07 0.43 -0.75 4.13 3.92 2ch1A1 VAL 33 HB 0.02 -0.02 0.16 -0.04 2.12 2.24 2ch1A1 VAL 33 HG13 0.04 0.09 -0.04 -0.04 0.97 1.01 2ch1A1 VAL 33 HG23 0.02 0.02 -0.03 -0.04 0.95 0.92 2ch1A1 LEU 34 H 0.03 0.63 -0.07 -0.55 8.37 8.41 2ch1A1 LEU 34 HA 0.04 0.02 0.53 -0.75 4.35 4.19 2ch1A1 LEU 34 HB2 0.02 0.05 0.11 -0.04 1.64 1.78 2ch1A1 LEU 34 HB3 0.03 -0.02 -0.04 -0.04 1.64 1.57 2ch1A1 LEU 34 HG 0.03 0.03 -0.13 -0.04 1.64 1.53 2ch1A1 LEU 34 HD13 0.02 -0.02 -0.12 -0.04 0.93 0.78 2ch1A1 LEU 34 HD23 0.03 -0.01 -0.02 -0.04 0.89 0.85 2ch1A1 THR 35 H 0.02 0.63 -0.12 -0.55 8.28 8.27 2ch1A1 THR 35 HA 0.03 0.08 0.43 -0.75 4.39 4.18 2ch1A1 THR 35 HB 0.01 -0.04 0.07 -0.04 4.32 4.32 2ch1A1 THR 35 HG23 0.01 0.02 0.01 -0.04 1.22 1.22 2ch1A1 ALA 36 H 0.04 0.39 -0.35 -0.55 8.40 7.94 2ch1A1 ALA 36 HA 0.01 -0.00 0.44 -0.75 4.34 4.03 2ch1A1 ALA 36 HB3 0.09 0.05 -0.03 -0.04 1.41 1.48 2ch1A1 MET 37 H 0.09 0.40 -0.35 -0.55 8.47 8.05 2ch1A1 MET 37 HA 0.20 0.07 0.48 -0.75 4.52 4.51 2ch1A1 MET 37 HB2 0.07 0.25 0.09 -0.04 2.15 2.52 2ch1A1 MET 37 HB3 0.08 -0.09 0.01 -0.04 2.03 1.99 2ch1A1 MET 37 HG2 0.08 0.06 -0.14 -0.04 2.63 2.58 2ch1A1 MET 37 HG3 0.08 0.08 0.07 -0.04 2.56 2.74 2ch1A1 MET 37 HE3 0.05 0.04 0.04 -0.04 2.10 2.19 2ch1A1 THR 38 H 0.07 0.34 -0.74 -0.55 8.28 7.40 2ch1A1 THR 38 HA 0.05 0.02 0.34 -0.75 4.39 4.05 2ch1A1 THR 38 HB 0.03 0.47 0.21 -0.04 4.32 4.99 2ch1A1 THR 38 HG23 0.00 -0.05 -0.06 -0.04 1.22 1.07 2ch1A1 ASN 39 H 0.08 0.33 -0.48 -0.55 8.53 7.91 2ch1A1 ASN 39 HA -0.05 0.01 0.33 -0.75 4.76 4.30 2ch1A1 ASN 39 HB2 -0.53 0.11 0.04 -0.04 2.88 2.45 2ch1A1 ASN 39 HB3 -0.43 -0.07 0.06 -0.04 2.79 2.30 2ch1A1 ASN 39 HD21 -0.15 -0.07 0.04 -0.04 7.03 6.80 2ch1A1 ASN 39 HD22 -0.20 0.45 0.19 -0.04 7.74 8.15 2ch1A1 THR 40 H -0.03 0.05 0.11 -0.55 8.28 7.85 2ch1A1 THR 40 HA 0.07 0.06 0.46 -0.75 4.39 4.22 2ch1A1 THR 40 HB 0.04 -0.08 -0.00 -0.04 4.32 4.24 2ch1A1 THR 40 HG23 0.06 0.05 -0.12 -0.04 1.22 1.17 2ch1A1 VAL 41 H 0.09 0.14 0.17 -0.55 8.24 8.10 2ch1A1 VAL 41 HA 0.12 -0.02 0.59 -0.75 4.13 4.07 2ch1A1 VAL 41 HB 0.05 -0.02 0.16 -0.04 2.12 2.27 2ch1A1 VAL 41 HG13 0.01 -0.01 -0.03 -0.04 0.97 0.91 2ch1A1 VAL 41 HG23 0.06 0.01 0.09 -0.04 0.95 1.07 2ch1A1 LEU 42 H 0.09 0.08 0.19 -0.55 8.37 8.18 2ch1A1 LEU 42 HA 0.18 0.11 0.61 -0.75 4.35 4.50 2ch1A1 LEU 42 HB2 0.08 -0.01 0.07 -0.04 1.64 1.74 2ch1A1 LEU 42 HB3 0.18 -0.07 0.11 -0.04 1.64 1.81 2ch1A1 LEU 42 HG 0.35 0.26 -0.03 -0.04 1.64 2.18 2ch1A1 LEU 42 HD13 0.18 -0.05 -0.12 -0.04 0.93 0.90 2ch1A1 LEU 42 HD23 0.13 -0.01 -0.11 -0.04 0.89 0.86 2ch1A1 SER 43 H -0.22 0.07 0.18 -0.55 8.46 7.94 2ch1A1 SER 43 HA -0.18 0.18 0.62 -0.75 4.49 4.37 2ch1A1 SER 43 HB2 -0.45 0.10 0.13 -0.04 3.95 3.69 2ch1A1 SER 43 HB3 -1.18 -0.09 0.08 -0.04 3.93 2.70 2ch1A1 ASN 44 H -0.11 0.17 0.17 -0.55 8.53 8.20 2ch1A1 ASN 44 HA -0.16 0.11 0.26 -0.75 4.76 4.23 2ch1A1 ASN 44 HB2 0.09 -0.02 0.12 -0.04 2.88 3.04 2ch1A1 ASN 44 HB3 -0.09 0.07 0.05 -0.04 2.79 2.78 2ch1A1 ASN 44 HD21 0.08 -0.02 0.00 -0.04 7.03 7.05 2ch1A1 ASN 44 HD22 -0.07 0.02 0.02 -0.04 7.74 7.67 2ch1A1 PHE 45 H -0.00 -0.01 -0.27 -0.55 8.34 7.51 2ch1A1 PHE 45 HA -0.48 0.33 0.88 -0.75 4.62 4.60 2ch1A1 PHE 45 HB2 0.01 -0.05 0.03 -0.04 3.15 3.09 2ch1A1 PHE 45 HB3 0.12 0.03 0.14 -0.04 3.06 3.31 2ch1A1 PHE 45 HD2 0.25 -0.07 -0.06 -0.04 7.28 7.36 2ch1A1 PHE 45 HE2 0.25 0.04 -0.10 -0.04 7.38 7.52 2ch1A1 PHE 45 HZ 0.32 -0.11 -0.47 -0.04 7.32 7.01 2ch1A1 HIS 46 H -0.25 0.33 -0.26 -0.55 8.41 7.68 2ch1A1 HIS 46 HA -0.05 0.07 0.55 -0.75 4.63 4.45 2ch1A1 HIS 46 HB2 -0.13 0.17 0.15 -0.04 3.26 3.41 2ch1A1 HIS 46 HB3 -0.07 -0.12 0.04 -0.04 3.20 3.01 2ch1A1 HIS 46 HD2 -0.00 0.06 -0.04 -0.04 6.97 6.94 2ch1A1 HIS 46 HE1 -0.00 0.11 0.06 -0.04 7.75 7.87 2ch1A1 ALA 47 H 0.05 0.18 0.22 -0.55 8.40 8.31 2ch1A1 ALA 47 HA 0.14 0.15 0.41 -0.75 4.34 4.28 2ch1A1 ALA 47 HB3 0.05 0.03 0.12 -0.04 1.41 1.57 2ch1A1 GLU 48 H -0.01 0.07 -0.19 -0.55 8.60 7.93 2ch1A1 GLU 48 HA 0.02 0.12 0.37 -0.75 4.29 4.04 2ch1A1 GLU 48 HB2 0.01 0.00 -0.02 -0.04 2.09 2.05 2ch1A1 GLU 48 HB3 -0.00 0.07 0.05 -0.04 1.99 2.06 2ch1A1 GLU 48 HG2 -0.04 0.07 0.01 -0.04 2.34 2.34 2ch1A1 GLU 48 HG3 -0.02 0.01 -0.01 -0.04 2.34 2.28 2ch1A1 LEU 49 H -0.04 0.11 -0.30 -0.55 8.37 7.59 2ch1A1 LEU 49 HA 0.03 0.07 0.61 -0.75 4.35 4.30 2ch1A1 LEU 49 HB2 -0.07 -0.09 0.05 -0.04 1.64 1.49 2ch1A1 LEU 49 HB3 -0.36 0.23 0.09 -0.04 1.64 1.56 2ch1A1 LEU 49 HG -0.29 0.06 -0.17 -0.04 1.64 1.20 2ch1A1 LEU 49 HD13 -0.16 -0.04 -0.01 -0.04 0.93 0.69 2ch1A1 LEU 49 HD23 -0.19 0.02 -0.11 -0.04 0.89 0.57 2ch1A1 PHE 50 H -0.31 0.42 -0.08 -0.55 8.34 7.82 2ch1A1 PHE 50 HA -0.28 0.06 0.38 -0.75 4.62 4.02 2ch1A1 PHE 50 HB2 -0.08 0.05 0.11 -0.04 3.15 3.19 2ch1A1 PHE 50 HB3 -0.13 0.02 0.00 -0.04 3.06 2.91 2ch1A1 PHE 50 HD2 -0.28 -0.06 -0.04 -0.04 7.28 6.86 2ch1A1 PHE 50 HE2 -0.57 0.01 0.03 -0.04 7.38 6.81 2ch1A1 PHE 50 HZ -1.01 -0.07 0.00 -0.04 7.32 6.20 2ch1A1 ARG 51 H 0.08 0.48 -0.21 -0.55 8.46 8.25 2ch1A1 ARG 51 HA 0.04 0.05 0.46 -0.75 4.34 4.14 2ch1A1 ARG 51 HB2 0.04 0.06 0.12 -0.04 1.90 2.08 2ch1A1 ARG 51 HB3 0.04 0.03 0.15 -0.04 1.80 1.97 2ch1A1 ARG 51 HG2 0.03 -0.01 -0.15 -0.04 1.67 1.50 2ch1A1 ARG 51 HG3 0.02 -0.00 0.03 -0.04 1.67 1.68 2ch1A1 ARG 51 HD2 0.01 -0.02 -0.02 -0.04 3.22 3.15 2ch1A1 ARG 51 HD3 0.01 -0.00 -0.00 -0.04 3.22 3.18 2ch1A1 THR 52 H 0.05 0.44 -0.20 -0.55 8.28 8.02 2ch1A1 THR 52 HA 0.07 -0.00 0.45 -0.75 4.39 4.15 2ch1A1 THR 52 HB 0.10 0.10 0.17 -0.04 4.32 4.64 2ch1A1 THR 52 HG23 0.23 -0.03 -0.11 -0.04 1.22 1.28 2ch1A1 MET 53 H -0.04 0.71 -0.03 -0.55 8.47 8.57 2ch1A1 MET 53 HA 0.04 -0.05 0.50 -0.75 4.52 4.26 2ch1A1 MET 53 HB2 -0.19 0.11 0.16 -0.04 2.15 2.19 2ch1A1 MET 53 HB3 -0.52 0.03 0.03 -0.04 2.03 1.54 2ch1A1 MET 53 HG2 -0.93 -0.09 -0.00 -0.04 2.63 1.57 2ch1A1 MET 53 HG3 -0.30 0.05 -0.02 -0.04 2.56 2.26 2ch1A1 MET 53 HE3 -1.68 0.05 -0.03 -0.04 2.10 0.39 2ch1A1 ASP 54 H 0.02 0.60 -0.18 -0.55 8.40 8.30 2ch1A1 ASP 54 HA 0.08 0.09 0.50 -0.75 4.63 4.54 2ch1A1 ASP 54 HB2 0.03 0.09 0.20 -0.04 2.71 2.98 2ch1A1 ASP 54 HB3 0.02 -0.07 0.03 -0.04 2.70 2.64 2ch1A1 GLU 55 H 0.05 0.51 -0.07 -0.55 8.60 8.55 2ch1A1 GLU 55 HA 0.04 -0.00 0.50 -0.75 4.29 4.07 2ch1A1 GLU 55 HB2 0.06 0.11 0.17 -0.04 2.09 2.39 2ch1A1 GLU 55 HB3 0.04 -0.06 0.05 -0.04 1.99 1.98 2ch1A1 GLU 55 HG2 0.02 -0.06 0.05 -0.04 2.34 2.32 2ch1A1 GLU 55 HG3 0.03 0.34 0.16 -0.04 2.34 2.83 2ch1A1 VAL 56 H 0.12 0.59 -0.21 -0.55 8.24 8.19 2ch1A1 VAL 56 HA 0.09 -0.03 0.48 -0.75 4.13 3.91 2ch1A1 VAL 56 HB 0.31 0.17 0.19 -0.04 2.12 2.76 2ch1A1 VAL 56 HG13 0.17 -0.03 -0.19 -0.04 0.97 0.88 2ch1A1 VAL 56 HG23 0.14 0.01 -0.01 -0.04 0.95 1.04 2ch1A1 LYS 57 H 0.20 0.64 -0.01 -0.55 8.42 8.69 2ch1A1 LYS 57 HA 0.07 -0.06 0.36 -0.75 4.32 3.94 2ch1A1 LYS 57 HB2 0.11 0.13 0.23 -0.04 1.87 2.29 2ch1A1 LYS 57 HB3 0.08 0.00 0.06 -0.04 1.79 1.89 2ch1A1 LYS 57 HG2 0.14 -0.10 0.02 -0.04 1.46 1.48 2ch1A1 LYS 57 HG3 0.39 0.10 0.11 -0.04 1.46 2.02 2ch1A1 LYS 57 HD2 0.08 0.09 0.16 -0.04 1.69 1.98 2ch1A1 LYS 57 HD3 0.30 -0.05 0.12 -0.04 1.68 2.00 2ch1A1 LYS 57 HE2 0.12 -0.08 0.02 -0.04 2.99 3.00 2ch1A1 LYS 57 HE3 0.08 -0.11 0.10 -0.04 2.99 3.02 2ch1A1 ASP 58 H 0.06 0.59 -0.15 -0.55 8.40 8.36 2ch1A1 ASP 58 HA 0.05 0.02 0.42 -0.75 4.63 4.36 2ch1A1 ASP 58 HB2 0.03 0.12 0.18 -0.04 2.71 3.00 2ch1A1 ASP 58 HB3 0.02 -0.07 0.00 -0.04 2.70 2.61 2ch1A1 GLY 59 H 0.05 0.65 -0.09 -0.55 8.43 8.49 2ch1A1 GLY 59 HA2 0.07 -0.01 0.50 -0.51 4.01 4.06 2ch1A1 GLY 59 HA3 0.03 0.05 0.32 -0.51 4.01 3.91 2ch1A1 LEU 60 H 0.01 0.79 -0.12 -0.55 8.37 8.51 2ch1A1 LEU 60 HA -0.25 -0.05 0.48 -0.75 4.35 3.77 2ch1A1 LEU 60 HB2 0.01 0.20 0.14 -0.04 1.64 1.95 2ch1A1 LEU 60 HB3 0.08 -0.03 -0.06 -0.04 1.64 1.58 2ch1A1 LEU 60 HG -0.09 -0.09 -0.07 -0.04 1.64 1.35 2ch1A1 LEU 60 HD13 -0.16 -0.01 -0.09 -0.04 0.93 0.63 2ch1A1 LEU 60 HD23 -0.06 -0.01 -0.18 -0.04 0.89 0.60 2ch1A1 ARG 61 H 0.07 0.81 0.01 -0.55 8.46 8.80 2ch1A1 ARG 61 HA 0.15 -0.12 0.35 -0.75 4.34 3.96 2ch1A1 ARG 61 HB2 0.08 0.10 0.16 -0.04 1.90 2.21 2ch1A1 ARG 61 HB3 0.08 0.15 0.10 -0.04 1.80 2.10 2ch1A1 ARG 61 HG2 0.07 -0.15 -0.17 -0.04 1.67 1.38 2ch1A1 ARG 61 HG3 0.08 0.09 0.02 -0.04 1.67 1.81 2ch1A1 ARG 61 HD2 0.05 -0.04 -0.03 -0.04 3.22 3.17 2ch1A1 ARG 61 HD3 0.05 -0.07 -0.05 -0.04 3.22 3.11 2ch1A1 TYR 62 H 0.14 0.49 -0.32 -0.55 8.29 8.05 2ch1A1 TYR 62 HA -0.01 -0.00 0.53 -0.75 4.56 4.33 2ch1A1 TYR 62 HB2 -0.01 0.03 0.15 -0.04 3.06 3.18 2ch1A1 TYR 62 HB3 -0.04 0.16 0.23 -0.04 2.98 3.28 2ch1A1 TYR 62 HD2 -0.03 0.03 0.04 -0.04 7.15 7.16 2ch1A1 TYR 62 HE2 -0.02 0.00 -0.04 -0.04 6.85 6.76 2ch1A1 ILE 63 H -0.10 0.60 0.03 -0.55 8.25 8.24 2ch1A1 ILE 63 HA -0.43 0.05 0.46 -0.75 4.18 3.51 2ch1A1 ILE 63 HB -0.30 -0.08 0.03 -0.04 1.89 1.50 2ch1A1 ILE 63 HG12 -0.32 0.20 0.14 -0.04 1.49 1.47 2ch1A1 ILE 63 HG13 -0.75 -0.01 -0.07 -0.04 1.21 0.33 2ch1A1 ILE 63 HG23 -0.12 0.02 0.02 -0.04 0.93 0.81 2ch1A1 ILE 63 HD13 -0.35 -0.03 -0.09 -0.04 0.88 0.37 2ch1A1 PHE 64 H -0.17 0.77 -0.08 -0.55 8.34 8.31 2ch1A1 PHE 64 HA -0.08 0.01 0.58 -0.75 4.62 4.38 2ch1A1 PHE 64 HB2 -0.02 0.17 -0.03 -0.04 3.15 3.22 2ch1A1 PHE 64 HB3 0.03 -0.14 -0.11 -0.04 3.06 2.80 2ch1A1 PHE 64 HD2 -0.18 0.02 -0.19 -0.04 7.28 6.88 2ch1A1 PHE 64 HE2 -0.18 -0.01 -0.36 -0.04 7.38 6.79 2ch1A1 PHE 64 HZ -0.10 0.01 -0.46 -0.04 7.32 6.73 2ch1A1 GLN 65 H -0.01 0.36 -0.51 -0.55 8.47 7.76 2ch1A1 GLN 65 HA 0.01 0.16 0.43 -0.75 4.36 4.21 2ch1A1 GLN 65 HB2 -0.11 0.02 0.29 -0.04 2.15 2.31 2ch1A1 GLN 65 HB3 0.01 -0.15 0.30 -0.04 2.02 2.14 2ch1A1 GLN 65 HG2 -0.21 0.23 0.04 -0.04 2.40 2.41 2ch1A1 GLN 65 HG3 -0.26 0.01 0.14 -0.04 2.39 2.23 2ch1A1 GLN 65 HE21 0.03 -0.11 0.11 -0.04 6.97 6.95 2ch1A1 GLN 65 HE22 -0.34 0.51 0.24 -0.04 7.69 8.06 2ch1A1 THR 66 H 0.08 0.64 0.20 -0.55 8.28 8.65 2ch1A1 THR 66 HA 0.03 0.05 0.78 -0.75 4.39 4.50 2ch1A1 THR 66 HB 0.05 0.04 -0.24 -0.04 4.32 4.12 2ch1A1 THR 66 HG23 0.12 0.04 -0.18 -0.04 1.22 1.17 2ch1A1 GLU 67 H 0.02 0.10 0.12 -0.55 8.60 8.29 2ch1A1 GLU 67 HA 0.04 0.28 0.86 -0.75 4.29 4.72 2ch1A1 GLU 67 HB2 0.02 -0.05 0.03 -0.04 2.09 2.04 2ch1A1 GLU 67 HB3 0.02 0.03 0.14 -0.04 1.99 2.14 2ch1A1 GLU 67 HG2 0.03 0.07 -0.01 -0.04 2.34 2.39 2ch1A1 GLU 67 HG3 0.03 -0.04 -0.30 -0.04 2.34 1.98 2ch1A1 ASN 68 H 0.03 -0.06 -0.09 -0.55 8.53 7.86 2ch1A1 ASN 68 HA 0.02 -0.02 0.40 -0.75 4.76 4.40 2ch1A1 ASN 68 HB2 0.01 -0.02 -0.10 -0.04 2.88 2.72 2ch1A1 ASN 68 HB3 -0.00 0.16 -0.18 -0.04 2.79 2.73 2ch1A1 ASN 68 HD21 -0.02 0.03 -0.22 -0.04 7.03 6.78 2ch1A1 ASN 68 HD22 -0.04 0.00 -0.35 -0.04 7.74 7.31 2ch1A1 ARG 69 H 0.03 0.06 0.22 -0.55 8.46 8.21 2ch1A1 ARG 69 HA 0.01 0.17 0.63 -0.75 4.34 4.40 2ch1A1 ARG 69 HB2 0.05 -0.13 0.19 -0.04 1.90 1.97 2ch1A1 ARG 69 HB3 0.02 0.27 0.11 -0.04 1.80 2.16 2ch1A1 ARG 69 HG2 0.02 0.04 0.08 -0.04 1.67 1.77 2ch1A1 ARG 69 HG3 0.02 -0.01 0.10 -0.04 1.67 1.73 2ch1A1 ARG 69 HD2 0.02 -0.04 0.03 -0.04 3.22 3.19 2ch1A1 ARG 69 HD3 0.04 -0.06 0.05 -0.04 3.22 3.21 2ch1A1 ALA 70 H 0.03 0.01 -0.04 -0.55 8.40 7.86 2ch1A1 ALA 70 HA -0.08 0.17 0.57 -0.75 4.34 4.24 2ch1A1 ALA 70 HB3 0.10 0.04 0.08 -0.04 1.41 1.59 2ch1A1 THR 71 H -0.04 0.74 -0.35 -0.55 8.28 8.08 2ch1A1 THR 71 HA -0.05 0.16 0.89 -0.75 4.39 4.64 2ch1A1 THR 71 HB 0.02 0.11 0.06 -0.04 4.32 4.48 2ch1A1 THR 71 HG23 0.12 -0.02 -0.09 -0.04 1.22 1.19 2ch1A1 MET 72 H -0.17 0.67 0.30 -0.55 8.47 8.72 2ch1A1 MET 72 HA -0.72 0.13 0.61 -0.75 4.52 3.78 2ch1A1 MET 72 HB2 -1.18 -0.03 0.04 -0.04 2.15 0.94 2ch1A1 MET 72 HB3 -0.30 0.13 -0.50 -0.04 2.03 1.32 2ch1A1 MET 72 HG2 -0.29 -0.04 -0.35 -0.04 2.63 1.90 2ch1A1 MET 72 HG3 -0.53 0.04 -0.39 -0.04 2.56 1.64 2ch1A1 MET 72 HE3 -0.09 0.03 -0.24 -0.04 2.10 1.76 2ch1A1 CYS 73 H -2.21 0.23 0.11 -0.55 8.50 6.08 2ch1A1 CYS 73 HA -0.33 0.29 1.10 -0.75 4.58 4.90 2ch1A1 CYS 73 HB2 -0.30 -0.04 -0.04 -0.04 2.97 2.55 2ch1A1 CYS 73 HB3 -0.05 0.03 -0.18 -0.04 2.97 2.72 2ch1A1 VAL 74 H -0.12 0.60 0.23 -0.55 8.24 8.40 2ch1A1 VAL 74 HA 0.00 0.15 0.77 -0.75 4.13 4.30 2ch1A1 VAL 74 HB -0.09 -0.03 -0.00 -0.04 2.12 1.95 2ch1A1 VAL 74 HG13 0.02 0.01 -0.34 -0.04 0.97 0.62 2ch1A1 VAL 74 HG23 -0.12 0.02 -0.11 -0.04 0.95 0.70 2ch1A1 SER 75 H 0.05 0.23 0.02 -0.55 8.46 8.21 2ch1A1 SER 75 HA 0.19 0.10 0.73 -0.75 4.49 4.75 2ch1A1 SER 75 HB2 -0.09 0.04 0.18 -0.04 3.95 4.04 2ch1A1 SER 75 HB3 0.31 0.03 0.14 -0.04 3.93 4.36 2ch1A1 GLY 76 H 0.12 0.46 0.11 -0.55 8.43 8.57 2ch1A1 GLY 76 HA2 0.18 0.10 0.49 -0.51 4.01 4.26 2ch1A1 GLY 76 HA3 0.20 -0.02 0.15 -0.51 4.01 3.83 2ch1A1 SER 77 H 0.10 0.14 0.07 -0.55 8.46 8.22 2ch1A1 SER 77 HA 0.05 0.06 0.54 -0.75 4.49 4.39 2ch1A1 SER 77 HB2 0.07 -0.01 0.16 -0.04 3.95 4.14 2ch1A1 SER 77 HB3 0.08 0.13 0.10 -0.04 3.93 4.19 2ch1A1 ALA 78 H 0.03 0.16 0.12 -0.55 8.40 8.17 2ch1A1 ALA 78 HA -0.02 0.15 0.17 -0.75 4.34 3.89 2ch1A1 ALA 78 HB3 -0.02 0.02 0.01 -0.04 1.41 1.38 2ch1A1 HIS 79 H 0.16 0.09 -0.28 -0.55 8.41 7.83 2ch1A1 HIS 79 HA -0.06 0.05 0.36 -0.75 4.63 4.22 2ch1A1 HIS 79 HB2 0.01 -0.04 -0.03 -0.04 3.26 3.16 2ch1A1 HIS 79 HB3 -0.01 0.08 -0.13 -0.04 3.20 3.09 2ch1A1 HIS 79 HD2 0.08 0.05 -0.04 -0.04 6.97 7.01 2ch1A1 HIS 79 HE1 0.39 0.04 -0.05 -0.04 7.75 8.09 2ch1A1 ALA 80 H -0.03 0.38 -0.31 -0.55 8.40 7.90 2ch1A1 ALA 80 HA -0.64 0.05 0.38 -0.75 4.34 3.37 2ch1A1 ALA 80 HB3 -0.04 0.04 -0.12 -0.04 1.41 1.24 2ch1A1 GLY 81 H -0.31 0.28 -0.33 -0.55 8.43 7.53 2ch1A1 GLY 81 HA2 -0.42 0.06 0.43 -0.51 4.01 3.57 2ch1A1 GLY 81 HA3 -0.54 0.08 0.21 -0.51 4.01 3.25 2ch1A1 MET 82 H -0.70 0.36 -0.15 -0.55 8.47 7.44 2ch1A1 MET 82 HA -0.43 0.04 0.46 -0.75 4.52 3.83 2ch1A1 MET 82 HB2 -0.21 -0.07 0.02 -0.04 2.15 1.85 2ch1A1 MET 82 HB3 -0.21 0.15 0.10 -0.04 2.03 2.03 2ch1A1 MET 82 HG2 -0.11 0.04 -0.26 -0.04 2.63 2.26 2ch1A1 MET 82 HG3 0.00 -0.02 -0.07 -0.04 2.56 2.43 2ch1A1 MET 82 HE3 0.21 -0.02 -0.06 -0.04 2.10 2.20 2ch1A1 GLU 83 H -0.40 0.62 -0.08 -0.55 8.60 8.19 2ch1A1 GLU 83 HA 0.00 0.02 0.31 -0.75 4.29 3.86 2ch1A1 GLU 83 HB2 -1.38 0.09 0.11 -0.04 2.09 0.87 2ch1A1 GLU 83 HB3 -0.17 -0.02 -0.04 -0.04 1.99 1.72 2ch1A1 GLU 83 HG2 -0.11 0.11 -0.02 -0.04 2.34 2.27 2ch1A1 GLU 83 HG3 -0.15 -0.10 -0.15 -0.04 2.34 1.89 2ch1A1 ALA 84 H -0.85 0.56 -0.32 -0.55 8.40 7.24 2ch1A1 ALA 84 HA -0.55 -0.00 0.27 -0.75 4.34 3.30 2ch1A1 ALA 84 HB3 -0.39 0.01 0.06 -0.04 1.41 1.05 2ch1A1 MET 85 H -0.27 0.48 -0.16 -0.55 8.47 7.97 2ch1A1 MET 85 HA -0.07 0.01 0.31 -0.75 4.52 4.01 2ch1A1 MET 85 HB2 -0.02 0.07 0.06 -0.04 2.15 2.22 2ch1A1 MET 85 HB3 0.04 -0.03 -0.07 -0.04 2.03 1.93 2ch1A1 MET 85 HG2 -0.11 0.23 -0.01 -0.04 2.63 2.69 2ch1A1 MET 85 HG3 0.12 -0.08 -0.14 -0.04 2.56 2.42 2ch1A1 MET 85 HE3 -0.01 -0.06 -0.09 -0.04 2.10 1.90 2ch1A1 LEU 86 H -0.10 0.49 -0.29 -0.55 8.37 7.91 2ch1A1 LEU 86 HA -0.02 0.04 0.32 -0.75 4.35 3.93 2ch1A1 LEU 86 HB2 0.08 0.04 -0.01 -0.04 1.64 1.71 2ch1A1 LEU 86 HB3 0.09 -0.00 -0.12 -0.04 1.64 1.57 2ch1A1 LEU 86 HG -0.01 0.12 -0.02 -0.04 1.64 1.68 2ch1A1 LEU 86 HD13 -0.04 -0.04 -0.12 -0.04 0.93 0.69 2ch1A1 LEU 86 HD23 0.03 -0.01 -0.16 -0.04 0.89 0.71 2ch1A1 SER 87 H -0.28 0.65 -0.02 -0.55 8.46 8.27 2ch1A1 SER 87 HA -0.64 0.15 0.51 -0.75 4.49 3.76 2ch1A1 SER 87 HB2 -0.38 -0.17 0.11 -0.04 3.95 3.47 2ch1A1 SER 87 HB3 -0.98 0.01 0.07 -0.04 3.93 2.99 2ch1A1 ASN 88 H -0.08 0.45 -0.27 -0.55 8.53 8.08 2ch1A1 ASN 88 HA -0.01 0.04 0.62 -0.75 4.76 4.66 2ch1A1 ASN 88 HB2 -0.02 0.15 0.11 -0.04 2.88 3.08 2ch1A1 ASN 88 HB3 -0.01 -0.05 -0.02 -0.04 2.79 2.68 2ch1A1 ASN 88 HD21 0.21 0.28 0.09 -0.04 7.03 7.58 2ch1A1 ASN 88 HD22 0.05 0.58 0.17 -0.04 7.74 8.50 2ch1A1 LEU 89 H -0.04 0.43 -0.04 -0.55 8.37 8.17 2ch1A1 LEU 89 HA -0.01 0.12 0.50 -0.75 4.35 4.21 2ch1A1 LEU 89 HB2 0.00 0.09 0.03 -0.04 1.64 1.73 2ch1A1 LEU 89 HB3 0.01 -0.05 0.03 -0.04 1.64 1.59 2ch1A1 LEU 89 HG -0.01 0.02 0.04 -0.04 1.64 1.65 2ch1A1 LEU 89 HD13 0.02 -0.04 -0.07 -0.04 0.93 0.79 2ch1A1 LEU 89 HD23 0.00 -0.02 -0.09 -0.04 0.89 0.75 2ch1A1 LEU 90 H -0.04 0.31 -0.29 -0.55 8.37 7.80 2ch1A1 LEU 90 HA 0.01 0.12 0.96 -0.75 4.35 4.68 2ch1A1 LEU 90 HB2 0.00 0.12 0.02 -0.04 1.64 1.73 2ch1A1 LEU 90 HB3 0.03 0.04 -0.08 -0.04 1.64 1.59 2ch1A1 LEU 90 HG 0.01 -0.08 -0.26 -0.04 1.64 1.27 2ch1A1 LEU 90 HD13 0.04 -0.03 -0.11 -0.04 0.93 0.79 2ch1A1 LEU 90 HD23 0.02 0.02 -0.21 -0.04 0.89 0.67 2ch1A1 GLU 91 H 0.01 0.10 0.12 -0.55 8.60 8.29 2ch1A1 GLU 91 HA 0.02 0.21 0.81 -0.75 4.29 4.57 2ch1A1 GLU 91 HB2 0.02 0.02 0.02 -0.04 2.09 2.11 2ch1A1 GLU 91 HB3 0.02 -0.05 0.14 -0.04 1.99 2.06 2ch1A1 GLU 91 HG2 0.01 0.14 -0.13 -0.04 2.34 2.31 2ch1A1 GLU 91 HG3 0.01 0.03 -0.08 -0.04 2.34 2.26 2ch1A1 GLU 92 H 0.03 0.08 0.11 -0.55 8.60 8.28 2ch1A1 GLU 92 HA 0.05 0.24 0.41 -0.75 4.29 4.23 2ch1A1 GLU 92 HB2 0.04 -0.03 0.18 -0.04 2.09 2.25 2ch1A1 GLU 92 HB3 0.03 -0.06 0.12 -0.04 1.99 2.04 2ch1A1 GLU 92 HG2 0.03 -0.03 0.02 -0.04 2.34 2.31 2ch1A1 GLU 92 HG3 0.04 0.14 0.17 -0.04 2.34 2.65 2ch1A1 GLY 93 H 0.03 0.68 0.38 -0.55 8.43 8.97 2ch1A1 GLY 93 HA2 0.02 -0.02 0.35 -0.51 4.01 3.85 2ch1A1 GLY 93 HA3 0.02 0.09 0.62 -0.51 4.01 4.23 2ch1A1 ASP 94 H 0.03 0.53 -0.20 -0.55 8.40 8.21 2ch1A1 ASP 94 HA 0.02 0.06 0.50 -0.75 4.63 4.46 2ch1A1 ASP 94 HB2 0.02 0.08 0.17 -0.04 2.71 2.94 2ch1A1 ASP 94 HB3 0.02 0.02 0.07 -0.04 2.70 2.76 2ch1A1 ARG 95 H 0.02 0.17 0.29 -0.55 8.46 8.39 2ch1A1 ARG 95 HA 0.01 0.30 0.87 -0.75 4.34 4.77 2ch1A1 ARG 95 HB2 0.03 0.01 0.26 -0.04 1.90 2.16 2ch1A1 ARG 95 HB3 0.02 0.03 -0.01 -0.04 1.80 1.80 2ch1A1 ARG 95 HG2 0.03 -0.01 0.05 -0.04 1.67 1.69 2ch1A1 ARG 95 HG3 0.03 -0.02 0.10 -0.04 1.67 1.74 2ch1A1 ARG 95 HD2 0.07 0.03 0.03 -0.04 3.22 3.31 2ch1A1 ARG 95 HD3 0.05 -0.11 0.04 -0.04 3.22 3.15 2ch1A1 VAL 96 H -0.01 0.48 0.26 -0.55 8.24 8.42 2ch1A1 VAL 96 HA 0.01 0.14 1.00 -0.75 4.13 4.53 2ch1A1 VAL 96 HB 0.02 0.02 -0.13 -0.04 2.12 2.00 2ch1A1 VAL 96 HG13 -0.00 -0.01 -0.12 -0.04 0.97 0.80 2ch1A1 VAL 96 HG23 0.03 -0.02 -0.23 -0.04 0.95 0.70 2ch1A1 LEU 97 H -0.01 0.77 0.35 -0.55 8.37 8.94 2ch1A1 LEU 97 HA -0.12 0.32 1.05 -0.75 4.35 4.84 2ch1A1 LEU 97 HB2 -0.06 0.07 -0.03 -0.04 1.64 1.57 2ch1A1 LEU 97 HB3 -0.04 -0.01 0.17 -0.04 1.64 1.72 2ch1A1 LEU 97 HG -0.09 -0.12 -0.36 -0.04 1.64 1.03 2ch1A1 LEU 97 HD13 -0.19 0.04 -0.25 -0.04 0.93 0.48 2ch1A1 LEU 97 HD23 -0.03 0.01 -0.26 -0.04 0.89 0.57 2ch1A1 ILE 98 H -0.08 0.80 0.34 -0.55 8.25 8.76 2ch1A1 ILE 98 HA 0.07 0.16 1.02 -0.75 4.18 4.68 2ch1A1 ILE 98 HB -0.03 0.01 0.05 -0.04 1.89 1.88 2ch1A1 ILE 98 HG12 0.03 -0.03 -0.16 -0.04 1.49 1.29 2ch1A1 ILE 98 HG13 -0.01 0.01 -0.61 -0.04 1.21 0.56 2ch1A1 ILE 98 HG23 0.07 -0.00 -0.21 -0.04 0.93 0.74 2ch1A1 ILE 98 HD13 -0.10 -0.02 -0.30 -0.04 0.88 0.42 2ch1A1 ALA 99 H -0.07 0.40 0.18 -0.55 8.40 8.36 2ch1A1 ALA 99 HA -0.33 0.20 0.85 -0.75 4.34 4.31 2ch1A1 ALA 99 HB3 -1.02 0.00 0.08 -0.04 1.41 0.44 2ch1A1 VAL 100 H 0.06 0.82 0.31 -0.55 8.24 8.87 2ch1A1 VAL 100 HA 0.14 -0.02 0.76 -0.75 4.13 4.26 2ch1A1 VAL 100 HB 0.07 0.04 0.09 -0.04 2.12 2.28 2ch1A1 VAL 100 HG13 0.04 -0.03 -0.15 -0.04 0.97 0.79 2ch1A1 VAL 100 HG23 0.01 0.05 -0.23 -0.04 0.95 0.74 2ch1A1 ASN 101 H 0.23 0.06 0.13 -0.55 8.53 8.40 2ch1A1 ASN 101 HA 0.09 0.18 0.31 -0.75 4.76 4.58 2ch1A1 ASN 101 HB2 -0.04 0.12 -0.28 -0.04 2.88 2.65 2ch1A1 ASN 101 HB3 0.03 -0.00 -0.16 -0.04 2.79 2.62 2ch1A1 ASN 101 HD21 -0.14 -0.11 -0.13 -0.04 7.03 6.62 2ch1A1 ASN 101 HD22 -0.37 0.44 -0.03 -0.04 7.74 7.73 2ch1A1 GLY 102 H 0.07 0.19 0.21 -0.55 8.43 8.36 2ch1A1 GLY 102 HA2 -0.04 0.21 0.41 -0.51 4.01 4.09 2ch1A1 GLY 102 HA3 0.02 0.01 0.44 -0.51 4.01 3.97 2ch1A1 ILE 103 H -0.35 0.20 0.16 -0.55 8.25 7.70 2ch1A1 ILE 103 HA -0.23 0.17 0.34 -0.75 4.18 3.71 2ch1A1 ILE 103 HB -0.42 0.03 0.10 -0.04 1.89 1.55 2ch1A1 ILE 103 HG12 -0.44 -0.01 -0.02 -0.04 1.49 0.99 2ch1A1 ILE 103 HG13 -0.26 0.03 0.09 -0.04 1.21 1.03 2ch1A1 ILE 103 HG23 -1.56 0.00 -0.07 -0.04 0.93 -0.74 2ch1A1 ILE 103 HD13 -0.29 0.02 0.01 -0.04 0.88 0.58 2ch1A1 TRP 104 H -0.25 0.07 -0.18 -0.55 7.97 7.06 2ch1A1 TRP 104 HA 0.01 0.13 0.36 -0.75 4.62 4.36 2ch1A1 TRP 104 HB2 0.14 0.02 0.04 -0.04 3.23 3.40 2ch1A1 TRP 104 HB3 0.12 0.06 0.02 -0.04 3.23 3.39 2ch1A1 TRP 104 HD1 0.05 0.05 0.08 -0.04 7.22 7.35 2ch1A1 TRP 104 HE1 0.01 -0.19 0.08 -0.04 10.20 10.06 2ch1A1 TRP 104 HE3 -0.09 0.01 -0.06 -0.04 7.59 7.40 2ch1A1 TRP 104 HZ2 0.03 0.12 -0.11 -0.04 7.44 7.44 2ch1A1 TRP 104 HZ3 0.09 0.03 -0.07 -0.04 7.13 7.13 2ch1A1 TRP 104 HH2 0.08 0.10 -0.08 -0.04 7.19 7.25 2ch1A1 ALA 105 H 0.21 0.07 -0.17 -0.55 8.40 7.96 2ch1A1 ALA 105 HA -0.00 0.11 0.44 -0.75 4.34 4.13 2ch1A1 ALA 105 HB3 0.19 0.03 0.04 -0.04 1.41 1.63 2ch1A1 GLU 106 H -0.01 0.22 -0.28 -0.55 8.60 7.98 2ch1A1 GLU 106 HA -0.03 0.09 0.47 -0.75 4.29 4.06 2ch1A1 GLU 106 HB2 -0.09 0.08 0.15 -0.04 2.09 2.19 2ch1A1 GLU 106 HB3 -0.06 0.03 -0.02 -0.04 1.99 1.90 2ch1A1 GLU 106 HG2 -0.03 0.05 -0.01 -0.04 2.34 2.30 2ch1A1 GLU 106 HG3 -0.02 -0.02 0.01 -0.04 2.34 2.26 2ch1A1 ARG 107 H -0.01 0.45 -0.15 -0.55 8.46 8.20 2ch1A1 ARG 107 HA 0.01 0.05 0.49 -0.75 4.34 4.14 2ch1A1 ARG 107 HB2 0.13 0.13 0.14 -0.04 1.90 2.25 2ch1A1 ARG 107 HB3 0.13 -0.04 -0.01 -0.04 1.80 1.84 2ch1A1 ARG 107 HG2 0.02 0.11 0.07 -0.04 1.67 1.83 2ch1A1 ARG 107 HG3 0.28 -0.09 -0.01 -0.04 1.67 1.81 2ch1A1 ARG 107 HD2 0.44 -0.04 -0.02 -0.04 3.22 3.56 2ch1A1 ARG 107 HD3 0.11 0.01 0.02 -0.04 3.22 3.33 2ch1A1 ALA 108 H -0.15 0.40 -0.23 -0.55 8.40 7.87 2ch1A1 ALA 108 HA -0.21 0.01 0.38 -0.75 4.34 3.76 2ch1A1 ALA 108 HB3 -0.80 0.02 0.02 -0.04 1.41 0.60 2ch1A1 VAL 109 H -0.11 0.54 -0.18 -0.55 8.24 7.94 2ch1A1 VAL 109 HA -0.06 0.05 0.41 -0.75 4.13 3.77 2ch1A1 VAL 109 HB -0.05 0.13 0.15 -0.04 2.12 2.31 2ch1A1 VAL 109 HG13 -0.03 -0.00 -0.15 -0.04 0.97 0.75 2ch1A1 VAL 109 HG23 -0.05 0.06 -0.05 -0.04 0.95 0.88 2ch1A1 GLU 110 H -0.04 0.49 -0.17 -0.55 8.60 8.33 2ch1A1 GLU 110 HA -0.04 0.03 0.33 -0.75 4.29 3.86 2ch1A1 GLU 110 HB2 -0.03 -0.00 0.09 -0.04 2.09 2.11 2ch1A1 GLU 110 HB3 -0.02 0.09 0.17 -0.04 1.99 2.19 2ch1A1 GLU 110 HG2 -0.01 -0.05 -0.04 -0.04 2.34 2.19 2ch1A1 GLU 110 HG3 -0.04 0.00 -0.29 -0.04 2.34 1.97 2ch1A1 MET 111 H -0.04 0.50 -0.24 -0.55 8.47 8.15 2ch1A1 MET 111 HA -0.12 0.02 0.38 -0.75 4.52 4.05 2ch1A1 MET 111 HB2 0.00 0.07 0.05 -0.04 2.15 2.23 2ch1A1 MET 111 HB3 0.12 -0.03 -0.08 -0.04 2.03 2.01 2ch1A1 MET 111 HG2 0.01 -0.04 -0.05 -0.04 2.63 2.51 2ch1A1 MET 111 HG3 0.01 0.17 -0.01 -0.04 2.56 2.70 2ch1A1 MET 111 HE3 0.14 -0.02 -0.07 -0.04 2.10 2.11 2ch1A1 SER 112 H -0.01 0.60 -0.17 -0.55 8.46 8.33 2ch1A1 SER 112 HA 0.16 0.03 0.24 -0.75 4.49 4.16 2ch1A1 SER 112 HB2 -0.01 0.06 0.04 -0.04 3.95 3.99 2ch1A1 SER 112 HB3 0.03 -0.04 -0.06 -0.04 3.93 3.82 2ch1A1 GLU 113 H -0.02 0.53 -0.25 -0.55 8.60 8.32 2ch1A1 GLU 113 HA 0.00 0.10 0.43 -0.75 4.29 4.08 2ch1A1 GLU 113 HB2 -0.03 0.11 0.14 -0.04 2.09 2.28 2ch1A1 GLU 113 HB3 -0.02 -0.04 0.01 -0.04 1.99 1.90 2ch1A1 GLU 113 HG2 -0.01 -0.01 0.03 -0.04 2.34 2.31 2ch1A1 GLU 113 HG3 -0.02 0.11 0.04 -0.04 2.34 2.42 2ch1A1 ARG 114 H -0.08 0.43 -0.16 -0.55 8.46 8.10 2ch1A1 ARG 114 HA -0.07 0.01 0.33 -0.75 4.34 3.86 2ch1A1 ARG 114 HB2 -0.30 0.08 0.15 -0.04 1.90 1.78 2ch1A1 ARG 114 HB3 -0.22 -0.06 0.03 -0.04 1.80 1.51 2ch1A1 ARG 114 HG2 -0.08 -0.05 0.04 -0.04 1.67 1.54 2ch1A1 ARG 114 HG3 -0.08 0.20 0.11 -0.04 1.67 1.85 2ch1A1 ARG 114 HD2 -0.12 -0.03 -0.07 -0.04 3.22 2.96 2ch1A1 ARG 114 HD3 -0.11 -0.04 -0.02 -0.04 3.22 3.01 2ch1A1 TYR 115 H -0.03 0.45 -0.32 -0.55 8.29 7.85 2ch1A1 TYR 115 HA 0.04 0.05 0.61 -0.75 4.56 4.51 2ch1A1 TYR 115 HB2 0.03 0.05 -0.02 -0.04 3.06 3.08 2ch1A1 TYR 115 HB3 0.05 0.02 0.03 -0.04 2.98 3.04 2ch1A1 TYR 115 HD2 0.06 0.02 -0.15 -0.04 7.15 7.03 2ch1A1 TYR 115 HE2 0.12 -0.08 -0.06 -0.04 6.85 6.79 2ch1A1 GLY 116 H 0.06 0.53 -0.46 -0.55 8.43 8.01 2ch1A1 GLY 116 HA2 0.04 0.07 0.33 -0.51 4.01 3.93 2ch1A1 GLY 116 HA3 0.06 -0.05 0.36 -0.51 4.01 3.87 2ch1A1 ALA 117 H 0.08 0.46 -0.13 -0.55 8.40 8.26 2ch1A1 ALA 117 HA 0.04 0.05 0.66 -0.75 4.34 4.34 2ch1A1 ALA 117 HB3 0.04 -0.00 -0.07 -0.04 1.41 1.34 2ch1A1 ASP 118 H 0.02 0.82 0.04 -0.55 8.40 8.73 2ch1A1 ASP 118 HA 0.01 0.07 0.75 -0.75 4.63 4.70 2ch1A1 ASP 118 HB2 0.02 0.02 -0.02 -0.04 2.71 2.69 2ch1A1 ASP 118 HB3 0.02 0.05 -0.07 -0.04 2.70 2.65 2ch1A1 VAL 119 H -0.01 0.18 -0.01 -0.55 8.24 7.86 2ch1A1 VAL 119 HA -0.03 0.12 0.42 -0.75 4.13 3.88 2ch1A1 VAL 119 HB -0.02 -0.02 0.07 -0.04 2.12 2.10 2ch1A1 VAL 119 HG13 -0.04 -0.02 -0.20 -0.04 0.97 0.66 2ch1A1 VAL 119 HG23 -0.01 0.04 -0.21 -0.04 0.95 0.74 2ch1A1 ARG 120 H -0.10 0.78 0.46 -0.55 8.46 9.05 2ch1A1 ARG 120 HA -0.18 0.09 0.90 -0.75 4.34 4.40 2ch1A1 ARG 120 HB2 -0.35 -0.03 0.11 -0.04 1.90 1.60 2ch1A1 ARG 120 HB3 -1.10 -0.01 0.06 -0.04 1.80 0.71 2ch1A1 ARG 120 HG2 -0.08 0.11 -0.07 -0.04 1.67 1.59 2ch1A1 ARG 120 HG3 -0.08 0.06 -0.05 -0.04 1.67 1.56 2ch1A1 ARG 120 HD2 0.05 -0.03 -0.02 -0.04 3.22 3.18 2ch1A1 ARG 120 HD3 -0.05 0.09 -0.32 -0.04 3.22 2.90 2ch1A1 THR 121 H -0.13 0.21 0.20 -0.55 8.28 8.01 2ch1A1 THR 121 HA -0.09 0.33 1.14 -0.75 4.39 5.02 2ch1A1 THR 121 HB -0.02 -0.02 0.06 -0.04 4.32 4.29 2ch1A1 THR 121 HG23 -0.04 0.00 -0.22 -0.04 1.22 0.93 2ch1A1 ILE 122 H -0.06 0.47 0.32 -0.55 8.25 8.43 2ch1A1 ILE 122 HA 0.04 0.10 0.70 -0.75 4.18 4.26 2ch1A1 ILE 122 HB 0.02 0.09 0.04 -0.04 1.89 2.00 2ch1A1 ILE 122 HG12 0.14 0.13 -0.38 -0.04 1.49 1.34 2ch1A1 ILE 122 HG13 0.08 0.02 -0.01 -0.04 1.21 1.26 2ch1A1 ILE 122 HG23 -0.17 -0.03 -0.12 -0.04 0.93 0.56 2ch1A1 ILE 122 HD13 -0.14 -0.03 -0.14 -0.04 0.88 0.54 2ch1A1 GLU 123 H 0.09 0.14 0.13 -0.55 8.60 8.41 2ch1A1 GLU 123 HA 0.18 0.26 0.86 -0.75 4.29 4.83 2ch1A1 GLU 123 HB2 0.06 -0.04 0.12 -0.04 2.09 2.19 2ch1A1 GLU 123 HB3 0.07 0.04 -0.07 -0.04 1.99 1.99 2ch1A1 GLU 123 HG2 0.04 0.01 0.02 -0.04 2.34 2.37 2ch1A1 GLU 123 HG3 0.07 0.09 0.11 -0.04 2.34 2.57 2ch1A1 GLY 124 H 0.14 0.48 0.34 -0.55 8.43 8.84 2ch1A1 GLY 124 HA2 -0.05 0.10 0.60 -0.51 4.01 4.15 2ch1A1 GLY 124 HA3 -0.38 0.05 0.25 -0.51 4.01 3.41 2ch1A1 PRO 125 HA -0.04 0.14 0.64 -0.51 4.44 4.67 2ch1A1 PRO 125 HB2 -0.09 -0.11 0.07 -0.04 2.28 2.11 2ch1A1 PRO 125 HB3 -0.07 0.06 0.14 -0.04 2.02 2.11 2ch1A1 PRO 125 HG2 -0.17 0.03 0.13 -0.04 2.03 1.97 2ch1A1 PRO 125 HG3 -0.11 0.05 0.09 -0.04 2.03 2.02 2ch1A1 PRO 125 HD2 -0.26 0.16 0.21 -0.04 3.68 3.75 2ch1A1 PRO 125 HD3 -0.10 0.11 0.16 -0.04 3.65 3.78 2ch1A1 PRO 126 HA 0.04 0.30 0.59 -0.51 4.44 4.85 2ch1A1 PRO 126 HB2 0.31 -0.01 0.05 -0.04 2.28 2.59 2ch1A1 PRO 126 HB3 0.09 -0.04 0.13 -0.04 2.02 2.16 2ch1A1 PRO 126 HG2 0.20 0.07 0.05 -0.04 2.03 2.31 2ch1A1 PRO 126 HG3 0.17 0.05 0.10 -0.04 2.03 2.31 2ch1A1 PRO 126 HD2 0.00 0.07 0.27 -0.04 3.68 3.97 2ch1A1 PRO 126 HD3 0.03 0.15 0.25 -0.04 3.65 4.04 2ch1A1 ASP 127 H -0.05 0.02 -0.43 -0.55 8.40 7.38 2ch1A1 ASP 127 HA 0.06 0.18 0.69 -0.75 4.63 4.81 2ch1A1 ASP 127 HB2 -0.23 -0.02 0.19 -0.04 2.71 2.61 2ch1A1 ASP 127 HB3 -0.51 0.04 -0.09 -0.04 2.70 2.10 2ch1A1 ARG 128 H -0.14 0.36 -0.20 -0.55 8.46 7.92 2ch1A1 ARG 128 HA -0.30 0.17 0.74 -0.75 4.34 4.20 2ch1A1 ARG 128 HB2 -0.16 -0.12 0.02 -0.04 1.90 1.60 2ch1A1 ARG 128 HB3 -0.22 0.11 0.01 -0.04 1.80 1.66 2ch1A1 ARG 128 HG2 -0.11 0.01 0.09 -0.04 1.67 1.61 2ch1A1 ARG 128 HG3 -0.06 0.11 -0.04 -0.04 1.67 1.64 2ch1A1 ARG 128 HD2 -0.07 -0.01 0.01 -0.04 3.22 3.11 2ch1A1 ARG 128 HD3 -0.01 -0.02 0.01 -0.04 3.22 3.16 2ch1A1 PRO 129 HA -0.22 0.07 0.46 -0.51 4.44 4.24 2ch1A1 PRO 129 HB2 -0.08 0.10 0.06 -0.04 2.28 2.33 2ch1A1 PRO 129 HB3 -0.11 0.13 0.13 -0.04 2.02 2.13 2ch1A1 PRO 129 HG2 -0.32 -0.05 -0.04 -0.04 2.03 1.59 2ch1A1 PRO 129 HG3 -0.36 0.12 0.09 -0.04 2.03 1.84 2ch1A1 PRO 129 HD2 -0.95 0.04 0.20 -0.04 3.68 2.93 2ch1A1 PRO 129 HD3 -0.70 0.19 0.12 -0.04 3.65 3.22 2ch1A1 PHE 130 H 0.11 0.13 0.14 -0.55 8.34 8.16 2ch1A1 PHE 130 HA -0.04 0.10 0.72 -0.75 4.62 4.64 2ch1A1 PHE 130 HB2 -0.03 0.01 0.06 -0.04 3.15 3.16 2ch1A1 PHE 130 HB3 -0.02 -0.01 -0.02 -0.04 3.06 2.97 2ch1A1 PHE 130 HD2 -0.00 -0.02 -0.05 -0.04 7.28 7.17 2ch1A1 PHE 130 HE2 0.02 0.04 -0.47 -0.04 7.38 6.93 2ch1A1 PHE 130 HZ 0.02 0.01 -0.58 -0.04 7.32 6.73 2ch1A1 SER 131 H 0.08 0.09 0.15 -0.55 8.46 8.23 2ch1A1 SER 131 HA 0.01 0.21 0.55 -0.75 4.49 4.52 2ch1A1 SER 131 HB2 0.01 0.01 0.16 -0.04 3.95 4.09 2ch1A1 SER 131 HB3 0.01 0.16 0.12 -0.04 3.93 4.18 2ch1A1 LEU 132 H -0.00 0.22 0.15 -0.55 8.37 8.19 2ch1A1 LEU 132 HA -0.01 0.15 0.45 -0.75 4.35 4.17 2ch1A1 LEU 132 HB2 -0.02 -0.03 0.13 -0.04 1.64 1.68 2ch1A1 LEU 132 HB3 -0.02 0.04 -0.07 -0.04 1.64 1.55 2ch1A1 LEU 132 HG -0.05 0.07 0.01 -0.04 1.64 1.63 2ch1A1 LEU 132 HD13 -0.04 0.01 -0.02 -0.04 0.93 0.84 2ch1A1 LEU 132 HD23 -0.05 0.01 -0.13 -0.04 0.89 0.67 2ch1A1 GLU 133 H 0.01 0.06 -0.17 -0.55 8.60 7.95 2ch1A1 GLU 133 HA 0.00 0.13 0.39 -0.75 4.29 4.06 2ch1A1 GLU 133 HB2 0.01 -0.08 0.08 -0.04 2.09 2.06 2ch1A1 GLU 133 HB3 0.01 0.08 -0.05 -0.04 1.99 1.99 2ch1A1 GLU 133 HG2 0.00 0.06 0.01 -0.04 2.34 2.38 2ch1A1 GLU 133 HG3 0.00 0.06 0.01 -0.04 2.34 2.37 2ch1A1 THR 134 H 0.03 0.02 -0.16 -0.55 8.28 7.62 2ch1A1 THR 134 HA 0.04 0.09 0.41 -0.75 4.39 4.17 2ch1A1 THR 134 HB 0.13 0.08 0.08 -0.04 4.32 4.57 2ch1A1 THR 134 HG23 0.16 0.03 -0.08 -0.04 1.22 1.29 2ch1A1 LEU 135 H 0.02 0.44 -0.29 -0.55 8.37 8.00 2ch1A1 LEU 135 HA -0.05 0.05 0.38 -0.75 4.35 3.97 2ch1A1 LEU 135 HB2 -0.03 0.05 0.04 -0.04 1.64 1.66 2ch1A1 LEU 135 HB3 -0.06 0.00 -0.06 -0.04 1.64 1.47 2ch1A1 LEU 135 HG 0.03 0.06 -0.10 -0.04 1.64 1.60 2ch1A1 LEU 135 HD13 -0.02 -0.01 -0.13 -0.04 0.93 0.73 2ch1A1 LEU 135 HD23 -0.23 -0.01 -0.09 -0.04 0.89 0.52 2ch1A1 ALA 136 H -0.02 0.62 -0.12 -0.55 8.40 8.34 2ch1A1 ALA 136 HA -0.05 0.03 0.36 -0.75 4.34 3.93 2ch1A1 ALA 136 HB3 -0.00 0.00 0.09 -0.04 1.41 1.46 2ch1A1 ARG 137 H -0.02 0.55 -0.20 -0.55 8.46 8.24 2ch1A1 ARG 137 HA -0.03 0.02 0.41 -0.75 4.34 3.98 2ch1A1 ARG 137 HB2 -0.00 0.27 0.19 -0.04 1.90 2.32 2ch1A1 ARG 137 HB3 -0.00 0.03 0.03 -0.04 1.80 1.81 2ch1A1 ARG 137 HG2 -0.02 -0.00 -0.00 -0.04 1.67 1.61 2ch1A1 ARG 137 HG3 -0.01 -0.03 0.02 -0.04 1.67 1.62 2ch1A1 ARG 137 HD2 0.01 -0.00 -0.03 -0.04 3.22 3.16 2ch1A1 ARG 137 HD3 -0.00 -0.01 -0.02 -0.04 3.22 3.14 2ch1A1 ALA 138 H -0.01 0.51 -0.11 -0.55 8.40 8.25 2ch1A1 ALA 138 HA 0.05 -0.00 0.44 -0.75 4.34 4.08 2ch1A1 ALA 138 HB3 0.02 0.01 0.04 -0.04 1.41 1.44 2ch1A1 ILE 139 H -0.06 0.54 -0.24 -0.55 8.25 7.94 2ch1A1 ILE 139 HA -0.05 0.02 0.41 -0.75 4.18 3.81 2ch1A1 ILE 139 HB -0.18 0.06 0.10 -0.04 1.89 1.82 2ch1A1 ILE 139 HG12 -0.06 -0.02 -0.08 -0.04 1.49 1.29 2ch1A1 ILE 139 HG13 -0.07 0.05 -0.02 -0.04 1.21 1.14 2ch1A1 ILE 139 HG23 -0.26 0.02 -0.21 -0.04 0.93 0.43 2ch1A1 ILE 139 HD13 -0.06 -0.04 -0.22 -0.04 0.88 0.52 2ch1A1 GLU 140 H -0.21 0.58 -0.03 -0.55 8.60 8.39 2ch1A1 GLU 140 HA -0.27 0.03 0.42 -0.75 4.29 3.72 2ch1A1 GLU 140 HB2 -0.10 0.12 0.22 -0.04 2.09 2.29 2ch1A1 GLU 140 HB3 -0.06 -0.04 -0.04 -0.04 1.99 1.81 2ch1A1 GLU 140 HG2 0.05 -0.03 0.02 -0.04 2.34 2.34 2ch1A1 GLU 140 HG3 -0.18 0.00 0.03 -0.04 2.34 2.15 2ch1A1 LEU 141 H -0.09 0.54 -0.14 -0.55 8.37 8.13 2ch1A1 LEU 141 HA -0.12 -0.03 0.39 -0.75 4.35 3.84 2ch1A1 LEU 141 HB2 -0.14 0.02 0.11 -0.04 1.64 1.59 2ch1A1 LEU 141 HB3 -0.33 0.05 0.16 -0.04 1.64 1.48 2ch1A1 LEU 141 HG -0.18 -0.06 0.01 -0.04 1.64 1.37 2ch1A1 LEU 141 HD13 -0.33 -0.02 -0.02 -0.04 0.93 0.52 2ch1A1 LEU 141 HD23 -0.45 -0.00 -0.17 -0.04 0.89 0.23 2ch1A1 HIS 142 H -0.02 0.54 -0.07 -0.55 8.41 8.32 2ch1A1 HIS 142 HA -0.02 0.06 0.38 -0.75 4.63 4.30 2ch1A1 HIS 142 HB2 -0.03 0.10 0.02 -0.04 3.26 3.31 2ch1A1 HIS 142 HB3 -0.02 -0.06 -0.01 -0.04 3.20 3.07 2ch1A1 HIS 142 HD2 -0.04 0.20 0.06 -0.04 6.97 7.15 2ch1A1 HIS 142 HE1 -0.01 -0.04 0.02 -0.04 7.75 7.68 2ch1A1 GLN 143 H -0.01 0.47 -0.26 -0.55 8.47 8.13 2ch1A1 GLN 143 HA 0.01 0.09 0.32 -0.75 4.36 4.03 2ch1A1 GLN 143 HB2 0.03 -0.01 -0.13 -0.04 2.15 2.01 2ch1A1 GLN 143 HB3 0.04 -0.04 0.15 -0.04 2.02 2.13 2ch1A1 GLN 143 HG2 0.00 0.23 -0.05 -0.04 2.40 2.54 2ch1A1 GLN 143 HG3 0.03 -0.12 -0.01 -0.04 2.39 2.25 2ch1A1 GLN 143 HE21 0.12 -0.04 0.01 -0.04 6.97 7.03 2ch1A1 GLN 143 HE22 0.06 -0.05 0.02 -0.04 7.69 7.68 2ch1A1 PRO 144 HA 0.03 0.07 0.39 -0.51 4.44 4.42 2ch1A1 PRO 144 HB2 0.01 0.05 -0.06 -0.04 2.28 2.24 2ch1A1 PRO 144 HB3 0.00 -0.06 -0.19 -0.04 2.02 1.72 2ch1A1 PRO 144 HG2 0.00 -0.02 -0.18 -0.04 2.03 1.78 2ch1A1 PRO 144 HG3 -0.00 -0.07 -0.09 -0.04 2.03 1.82 2ch1A1 PRO 144 HD2 -0.01 0.11 0.06 -0.04 3.68 3.80 2ch1A1 PRO 144 HD3 0.03 0.08 -0.05 -0.04 3.65 3.67 2ch1A1 LYS 145 H 0.02 0.47 0.42 -0.55 8.42 8.78 2ch1A1 LYS 145 HA 0.03 0.21 0.79 -0.75 4.32 4.60 2ch1A1 LYS 145 HB2 0.02 -0.08 0.29 -0.04 1.87 2.07 2ch1A1 LYS 145 HB3 0.02 -0.03 0.12 -0.04 1.79 1.86 2ch1A1 LYS 145 HG2 0.03 -0.04 0.13 -0.04 1.46 1.53 2ch1A1 LYS 145 HG3 0.02 0.01 0.15 -0.04 1.46 1.61 2ch1A1 LYS 145 HD2 0.02 -0.12 0.11 -0.04 1.69 1.66 2ch1A1 LYS 145 HD3 0.02 0.14 0.11 -0.04 1.68 1.91 2ch1A1 LYS 145 HE2 0.01 -0.03 0.05 -0.04 2.99 2.99 2ch1A1 LYS 145 HE3 0.01 -0.04 0.06 -0.04 2.99 2.98 2ch1A1 CYS 146 H 0.02 0.28 0.21 -0.55 8.50 8.46 2ch1A1 CYS 146 HA 0.03 0.20 0.94 -0.75 4.58 5.00 2ch1A1 CYS 146 HB2 0.04 -0.08 -0.04 -0.04 2.97 2.86 2ch1A1 CYS 146 HB3 0.06 -0.02 -0.09 -0.04 2.97 2.87 2ch1A1 LEU 147 H 0.01 0.75 0.32 -0.55 8.37 8.90 2ch1A1 LEU 147 HA 0.01 0.32 0.95 -0.75 4.35 4.88 2ch1A1 LEU 147 HB2 -0.03 0.05 0.02 -0.04 1.64 1.63 2ch1A1 LEU 147 HB3 -0.04 -0.01 0.12 -0.04 1.64 1.68 2ch1A1 LEU 147 HG -0.06 -0.07 -0.44 -0.04 1.64 1.03 2ch1A1 LEU 147 HD13 -0.07 0.04 -0.10 -0.04 0.93 0.76 2ch1A1 LEU 147 HD23 -0.08 -0.01 -0.12 -0.04 0.89 0.64 2ch1A1 PHE 148 H 0.14 0.71 0.30 -0.55 8.34 8.94 2ch1A1 PHE 148 HA 0.00 0.32 1.04 -0.75 4.62 5.23 2ch1A1 PHE 148 HB2 0.01 0.02 -0.05 -0.04 3.15 3.09 2ch1A1 PHE 148 HB3 -0.00 -0.02 0.12 -0.04 3.06 3.12 2ch1A1 PHE 148 HD2 0.05 0.02 -0.22 -0.04 7.28 7.08 2ch1A1 PHE 148 HE2 0.18 -0.10 -0.23 -0.04 7.38 7.19 2ch1A1 PHE 148 HZ 0.16 -0.11 -0.19 -0.04 7.32 7.13 2ch1A1 LEU 149 H -0.50 0.74 0.36 -0.55 8.37 8.43 2ch1A1 LEU 149 HA -0.11 0.16 0.91 -0.75 4.35 4.55 2ch1A1 LEU 149 HB2 -0.16 -0.01 0.01 -0.04 1.64 1.44 2ch1A1 LEU 149 HB3 -0.07 0.10 -0.13 -0.04 1.64 1.50 2ch1A1 LEU 149 HG -0.11 -0.01 -0.28 -0.04 1.64 1.20 2ch1A1 LEU 149 HD13 -0.06 0.01 -0.10 -0.04 0.93 0.73 2ch1A1 LEU 149 HD23 -0.10 0.02 0.03 -0.04 0.89 0.80 2ch1A1 THR 150 H 0.04 0.20 0.10 -0.55 8.28 8.08 2ch1A1 THR 150 HA -0.08 -0.01 0.80 -0.75 4.39 4.35 2ch1A1 THR 150 HB 0.19 0.08 0.05 -0.04 4.32 4.61 2ch1A1 THR 150 HG23 0.20 -0.02 -0.36 -0.04 1.22 0.99 2ch1A1 HIS 151 H 0.02 0.57 0.27 -0.55 8.41 8.72 2ch1A1 HIS 151 HA 0.02 0.19 0.63 -0.75 4.63 4.72 2ch1A1 HIS 151 HB2 0.06 -0.03 -0.02 -0.04 3.26 3.23 2ch1A1 HIS 151 HB3 -0.02 -0.13 0.27 -0.04 3.20 3.28 2ch1A1 HIS 151 HD2 0.07 0.20 0.09 -0.04 6.97 7.28 2ch1A1 HIS 151 HE1 0.41 0.18 -0.06 -0.04 7.75 8.23 2ch1A1 GLY 152 H -0.05 0.01 0.16 -0.55 8.43 8.01 2ch1A1 GLY 152 HA2 -0.08 0.37 0.90 -0.51 4.01 4.69 2ch1A1 GLY 152 HA3 -0.11 0.01 0.19 -0.51 4.01 3.59 2ch1A1 ASP 153 H 0.06 0.93 0.21 -0.55 8.40 9.06 2ch1A1 ASP 153 HA 0.28 0.04 0.96 -0.75 4.63 5.15 2ch1A1 ASP 153 HB2 0.15 0.19 0.02 -0.04 2.71 3.03 2ch1A1 ASP 153 HB3 0.12 -0.10 0.25 -0.04 2.70 2.93 2ch1A1 SER 154 H 0.45 0.14 0.13 -0.55 8.46 8.63 2ch1A1 SER 154 HA 0.13 0.24 0.41 -0.75 4.49 4.51 2ch1A1 SER 154 HB2 0.18 0.17 0.03 -0.04 3.95 4.28 2ch1A1 SER 154 HB3 0.09 0.06 -0.01 -0.04 3.93 4.03 2ch1A1 SER 155 H 0.27 -0.10 -0.17 -0.55 8.46 7.90 2ch1A1 SER 155 HA -0.02 0.24 0.60 -0.75 4.49 4.55 2ch1A1 SER 155 HB2 -0.20 0.23 -0.10 -0.04 3.95 3.84 2ch1A1 SER 155 HB3 -0.31 -0.06 -0.01 -0.04 3.93 3.50 2ch1A1 SER 156 H 0.03 -0.03 -0.33 -0.55 8.46 7.58 2ch1A1 SER 156 HA -0.39 0.23 0.87 -0.75 4.49 4.44 2ch1A1 SER 156 HB2 0.20 0.15 -0.02 -0.04 3.95 4.24 2ch1A1 SER 156 HB3 -0.04 -0.05 -0.03 -0.04 3.93 3.78 2ch1A1 GLY 157 H 0.06 0.53 0.23 -0.55 8.43 8.71 2ch1A1 GLY 157 HA2 0.06 0.13 0.35 -0.51 4.01 4.05 2ch1A1 GLY 157 HA3 0.08 0.12 0.86 -0.51 4.01 4.56 2ch1A1 LEU 158 H 0.09 -0.08 0.16 -0.55 8.37 7.99 2ch1A1 LEU 158 HA 0.07 0.33 0.79 -0.75 4.35 4.78 2ch1A1 LEU 158 HB2 0.10 0.10 -0.01 -0.04 1.64 1.79 2ch1A1 LEU 158 HB3 0.07 -0.20 0.08 -0.04 1.64 1.56 2ch1A1 LEU 158 HG 0.01 0.01 -0.42 -0.04 1.64 1.20 2ch1A1 LEU 158 HD13 -0.04 0.05 -0.21 -0.04 0.93 0.69 2ch1A1 LEU 158 HD23 -0.03 -0.00 -0.40 -0.04 0.89 0.42 2ch1A1 LEU 159 H 0.05 0.93 0.26 -0.55 8.37 9.07 2ch1A1 LEU 159 HA -0.04 0.09 0.99 -0.75 4.35 4.64 2ch1A1 LEU 159 HB2 -0.00 -0.07 -0.32 -0.04 1.64 1.21 2ch1A1 LEU 159 HB3 0.04 0.12 -0.23 -0.04 1.64 1.53 2ch1A1 LEU 159 HG 0.00 0.01 -0.36 -0.04 1.64 1.24 2ch1A1 LEU 159 HD13 -0.37 -0.01 -0.12 -0.04 0.93 0.39 2ch1A1 LEU 159 HD23 0.04 0.01 -0.07 -0.04 0.89 0.83 2ch1A1 GLN 160 H 0.05 0.68 0.24 -0.55 8.47 8.89 2ch1A1 GLN 160 HA 0.04 0.13 0.78 -0.75 4.36 4.56 2ch1A1 GLN 160 HB2 0.11 -0.08 0.08 -0.04 2.15 2.23 2ch1A1 GLN 160 HB3 0.15 0.09 0.31 -0.04 2.02 2.53 2ch1A1 GLN 160 HG2 0.10 -0.09 -0.03 -0.04 2.40 2.34 2ch1A1 GLN 160 HG3 0.06 0.09 -0.34 -0.04 2.39 2.15 2ch1A1 GLN 160 HE21 0.10 0.40 0.15 -0.04 6.97 7.58 2ch1A1 GLN 160 HE22 0.02 0.30 0.02 -0.04 7.69 7.99 2ch1A1 PRO 161 HA -0.07 -0.01 0.60 -0.51 4.44 4.45 2ch1A1 PRO 161 HB2 -0.06 0.00 0.07 -0.04 2.28 2.25 2ch1A1 PRO 161 HB3 -0.08 -0.03 0.10 -0.04 2.02 1.98 2ch1A1 PRO 161 HG2 0.02 -0.00 0.09 -0.04 2.03 2.09 2ch1A1 PRO 161 HG3 0.03 0.10 0.07 -0.04 2.03 2.20 2ch1A1 PRO 161 HD2 -0.00 0.05 0.26 -0.04 3.68 3.94 2ch1A1 PRO 161 HD3 0.02 0.44 0.33 -0.04 3.65 4.40 2ch1A1 LEU 162 H -0.50 0.04 0.20 -0.55 8.37 7.57 2ch1A1 LEU 162 HA -0.23 0.25 0.84 -0.75 4.35 4.45 2ch1A1 LEU 162 HB2 -0.90 -0.02 0.02 -0.04 1.64 0.70 2ch1A1 LEU 162 HB3 -0.30 -0.04 0.03 -0.04 1.64 1.30 2ch1A1 LEU 162 HG -0.18 0.25 -0.09 -0.04 1.64 1.58 2ch1A1 LEU 162 HD13 -0.24 -0.03 -0.07 -0.04 0.93 0.55 2ch1A1 LEU 162 HD23 -0.05 0.01 -0.20 -0.04 0.89 0.60 2ch1A1 GLU 163 H -0.70 0.02 0.09 -0.55 8.60 7.46 2ch1A1 GLU 163 HA -0.69 0.04 0.50 -0.75 4.29 3.39 2ch1A1 GLU 163 HB2 -0.28 0.02 0.10 -0.04 2.09 1.89 2ch1A1 GLU 163 HB3 -0.24 0.05 0.03 -0.04 1.99 1.80 2ch1A1 GLU 163 HG2 -0.16 0.06 0.03 -0.04 2.34 2.22 2ch1A1 GLU 163 HG3 -0.99 -0.01 0.05 -0.04 2.34 1.35 2ch1A1 GLY 164 H -0.16 0.16 0.21 -0.55 8.43 8.09 2ch1A1 GLY 164 HA2 -0.06 0.01 0.36 -0.51 4.01 3.81 2ch1A1 GLY 164 HA3 -0.09 0.17 0.47 -0.51 4.01 4.06 2ch1A1 VAL 165 H -0.15 0.44 -0.47 -0.55 8.24 7.50 2ch1A1 VAL 165 HA -0.08 0.04 0.37 -0.75 4.13 3.71 2ch1A1 VAL 165 HB -0.12 0.07 0.07 -0.04 2.12 2.10 2ch1A1 VAL 165 HG13 -0.09 -0.01 -0.12 -0.04 0.97 0.71 2ch1A1 VAL 165 HG23 -0.11 0.02 -0.10 -0.04 0.95 0.72 2ch1A1 GLY 166 H -0.09 0.22 -0.01 -0.55 8.43 8.00 2ch1A1 GLY 166 HA2 -0.26 0.04 0.45 -0.51 4.01 3.73 2ch1A1 GLY 166 HA3 -0.12 0.32 0.38 -0.51 4.01 4.08 2ch1A1 GLN 167 H -0.04 0.04 -0.23 -0.55 8.47 7.69 2ch1A1 GLN 167 HA 0.05 0.05 0.41 -0.75 4.36 4.12 2ch1A1 GLN 167 HB2 0.01 -0.05 0.08 -0.04 2.15 2.16 2ch1A1 GLN 167 HB3 -0.01 0.17 0.08 -0.04 2.02 2.22 2ch1A1 GLN 167 HG2 0.01 0.03 -0.18 -0.04 2.40 2.22 2ch1A1 GLN 167 HG3 0.03 -0.00 0.03 -0.04 2.39 2.41 2ch1A1 GLN 167 HE21 0.01 -0.01 0.00 -0.04 6.97 6.93 2ch1A1 GLN 167 HE22 0.02 0.01 0.01 -0.04 7.69 7.68 2ch1A1 ILE 168 H -0.04 0.36 -0.20 -0.55 8.25 7.83 2ch1A1 ILE 168 HA 0.06 0.03 0.47 -0.75 4.18 3.98 2ch1A1 ILE 168 HB -0.02 0.10 0.10 -0.04 1.89 2.03 2ch1A1 ILE 168 HG12 0.02 -0.04 0.02 -0.04 1.49 1.45 2ch1A1 ILE 168 HG13 -0.01 0.15 0.09 -0.04 1.21 1.39 2ch1A1 ILE 168 HG23 0.06 -0.01 -0.10 -0.04 0.93 0.84 2ch1A1 ILE 168 HD13 -0.02 -0.04 -0.04 -0.04 0.88 0.75 2ch1A1 CYS 169 H -0.10 0.54 -0.06 -0.55 8.50 8.33 2ch1A1 CYS 169 HA 0.02 0.02 0.34 -0.75 4.58 4.20 2ch1A1 CYS 169 HB2 -0.32 0.08 0.13 -0.04 2.97 2.83 2ch1A1 CYS 169 HB3 -0.09 0.12 -0.25 -0.04 2.97 2.71 2ch1A1 HIS 170 H -0.13 0.48 -0.25 -0.55 8.41 7.97 2ch1A1 HIS 170 HA 0.02 0.06 0.42 -0.75 4.63 4.37 2ch1A1 HIS 170 HB2 0.01 0.05 0.14 -0.04 3.26 3.42 2ch1A1 HIS 170 HB3 0.00 -0.08 0.05 -0.04 3.20 3.14 2ch1A1 HIS 170 HD2 0.01 0.15 -0.07 -0.04 6.97 7.01 2ch1A1 HIS 170 HE1 0.01 -0.03 -0.05 -0.04 7.75 7.64 2ch1A1 GLN 171 H 0.06 0.47 -0.07 -0.55 8.47 8.38 2ch1A1 GLN 171 HA -0.05 -0.03 0.48 -0.75 4.36 4.02 2ch1A1 GLN 171 HB2 -0.04 0.17 0.16 -0.04 2.15 2.40 2ch1A1 GLN 171 HB3 -0.25 -0.06 0.07 -0.04 2.02 1.74 2ch1A1 GLN 171 HG2 -0.04 -0.07 0.06 -0.04 2.40 2.31 2ch1A1 GLN 171 HG3 0.01 0.15 0.11 -0.04 2.39 2.62 2ch1A1 GLN 171 HE21 0.00 -0.07 -0.06 -0.04 6.97 6.81 2ch1A1 GLN 171 HE22 0.00 -0.02 -0.05 -0.04 7.69 7.59 2ch1A1 HIS 172 H 0.11 0.30 -0.67 -0.55 8.41 7.62 2ch1A1 HIS 172 HA 0.02 0.16 0.84 -0.75 4.63 4.89 2ch1A1 HIS 172 HB2 0.01 0.04 0.01 -0.04 3.26 3.28 2ch1A1 HIS 172 HB3 0.01 0.03 0.09 -0.04 3.20 3.29 2ch1A1 HIS 172 HD2 0.01 0.04 -0.03 -0.04 6.97 6.94 2ch1A1 HIS 172 HE1 -0.00 -0.09 -0.05 -0.04 7.75 7.56 2ch1A1 ASP 173 H 0.07 0.34 -0.18 -0.55 8.40 8.08 2ch1A1 ASP 173 HA 0.07 -0.06 0.31 -0.75 4.63 4.19 2ch1A1 ASP 173 HB2 0.05 0.01 -0.36 -0.04 2.71 2.37 2ch1A1 ASP 173 HB3 0.05 0.03 0.29 -0.04 2.70 3.03 2ch1A1 CYS 174 H 0.11 0.60 -0.08 -0.55 8.50 8.59 2ch1A1 CYS 174 HA 0.06 0.35 0.87 -0.75 4.58 5.10 2ch1A1 CYS 174 HB2 0.05 0.22 -0.19 -0.04 2.97 3.02 2ch1A1 CYS 174 HB3 0.04 -0.10 0.03 -0.04 2.97 2.90 2ch1A1 LEU 175 H 0.05 0.80 0.34 -0.55 8.37 9.01 2ch1A1 LEU 175 HA 0.12 0.03 0.73 -0.75 4.35 4.48 2ch1A1 LEU 175 HB2 0.04 0.04 0.15 -0.04 1.64 1.82 2ch1A1 LEU 175 HB3 0.05 -0.12 -0.04 -0.04 1.64 1.49 2ch1A1 LEU 175 HG 0.05 0.19 0.01 -0.04 1.64 1.84 2ch1A1 LEU 175 HD13 0.03 0.00 -0.02 -0.04 0.93 0.90 2ch1A1 LEU 175 HD23 0.07 -0.02 -0.13 -0.04 0.89 0.77 2ch1A1 LEU 176 H 0.03 0.12 0.21 -0.55 8.37 8.18 2ch1A1 LEU 176 HA -0.04 0.27 1.05 -0.75 4.35 4.88 2ch1A1 LEU 176 HB2 -0.13 0.09 0.06 -0.04 1.64 1.62 2ch1A1 LEU 176 HB3 -0.07 -0.04 0.34 -0.04 1.64 1.84 2ch1A1 LEU 176 HG -0.05 -0.11 -0.22 -0.04 1.64 1.23 2ch1A1 LEU 176 HD13 -0.08 0.05 -0.07 -0.04 0.93 0.78 2ch1A1 LEU 176 HD23 -0.07 0.00 -0.12 -0.04 0.89 0.66 2ch1A1 ILE 177 H -0.01 0.85 0.33 -0.55 8.25 8.87 2ch1A1 ILE 177 HA -0.01 0.25 1.11 -0.75 4.18 4.77 2ch1A1 ILE 177 HB 0.06 -0.02 0.04 -0.04 1.89 1.93 2ch1A1 ILE 177 HG12 0.32 0.01 -0.15 -0.04 1.49 1.63 2ch1A1 ILE 177 HG13 0.08 -0.10 -0.18 -0.04 1.21 0.97 2ch1A1 ILE 177 HG23 0.07 0.04 -0.21 -0.04 0.93 0.79 2ch1A1 ILE 177 HD13 0.28 -0.01 -0.24 -0.04 0.88 0.86 2ch1A1 VAL 178 H -0.09 0.73 0.38 -0.55 8.24 8.71 2ch1A1 VAL 178 HA -0.34 0.33 1.03 -0.75 4.13 4.40 2ch1A1 VAL 178 HB -0.00 0.00 0.11 -0.04 2.12 2.19 2ch1A1 VAL 178 HG13 0.02 -0.03 -0.25 -0.04 0.97 0.68 2ch1A1 VAL 178 HG23 -0.05 0.00 -0.23 -0.04 0.95 0.63 2ch1A1 ASP 179 H -0.43 0.69 0.39 -0.55 8.40 8.51 2ch1A1 ASP 179 HA -1.07 0.13 0.83 -0.75 4.63 3.76 2ch1A1 ASP 179 HB2 -0.06 0.09 0.04 -0.04 2.71 2.74 2ch1A1 ASP 179 HB3 -0.19 -0.05 0.34 -0.04 2.70 2.75 2ch1A1 ALA 180 H -0.52 0.57 0.28 -0.55 8.40 8.19 2ch1A1 ALA 180 HA -0.10 0.06 1.01 -0.75 4.34 4.56 2ch1A1 ALA 180 HB3 -0.37 0.04 0.11 -0.04 1.41 1.15 2ch1A1 VAL 181 H -0.34 0.09 -0.20 -0.55 8.24 7.24 2ch1A1 VAL 181 HA -0.17 -0.14 0.43 -0.75 4.13 3.50 2ch1A1 VAL 181 HB -0.37 0.00 0.06 -0.04 2.12 1.78 2ch1A1 VAL 181 HG13 -0.21 0.01 -0.08 -0.04 0.97 0.64 2ch1A1 VAL 181 HG23 -0.18 -0.02 -0.19 -0.04 0.95 0.53 2ch1A1 ALA 182 H -0.17 0.05 -0.08 -0.55 8.40 7.64 2ch1A1 ALA 182 HA -0.09 0.32 0.62 -0.75 4.34 4.44 2ch1A1 ALA 182 HB3 -0.07 0.03 -0.09 -0.04 1.41 1.24 2ch1A1 SER 183 H -0.11 -0.05 -0.29 -0.55 8.46 7.46 2ch1A1 SER 183 HA -0.08 0.21 0.63 -0.75 4.49 4.50 2ch1A1 SER 183 HB2 -0.15 0.10 -0.05 -0.04 3.95 3.81 2ch1A1 SER 183 HB3 -0.25 -0.13 0.01 -0.04 3.93 3.53 2ch1A1 LEU 184 H -0.13 0.33 0.07 -0.55 8.37 8.10 2ch1A1 LEU 184 HA -0.13 0.03 0.30 -0.75 4.35 3.80 2ch1A1 LEU 184 HB2 -0.23 0.09 0.19 -0.04 1.64 1.65 2ch1A1 LEU 184 HB3 -0.18 0.01 0.05 -0.04 1.64 1.48 2ch1A1 LEU 184 HG -0.24 0.05 -0.01 -0.04 1.64 1.40 2ch1A1 LEU 184 HD13 -0.48 0.01 -0.00 -0.04 0.93 0.42 2ch1A1 LEU 184 HD23 -0.41 -0.02 -0.20 -0.04 0.89 0.21 2ch1A1 CYS 185 H -0.10 0.19 0.21 -0.55 8.50 8.25 2ch1A1 CYS 185 HA -0.10 -0.02 0.33 -0.75 4.58 4.03 2ch1A1 CYS 185 HB2 -0.08 0.21 0.05 -0.04 2.97 3.10 2ch1A1 CYS 185 HB3 -0.07 -0.01 0.10 -0.04 2.97 2.95 2ch1A1 GLY 186 H -0.05 0.41 -0.47 -0.55 8.43 7.78 2ch1A1 GLY 186 HA2 -0.03 0.16 0.87 -0.51 4.01 4.50 2ch1A1 GLY 186 HA3 -0.03 0.04 0.27 -0.51 4.01 3.78 2ch1A1 VAL 187 H 0.01 0.25 0.17 -0.55 8.24 8.12 2ch1A1 VAL 187 HA 0.04 0.18 0.65 -0.75 4.13 4.25 2ch1A1 VAL 187 HB 0.13 0.04 0.12 -0.04 2.12 2.36 2ch1A1 VAL 187 HG13 0.02 0.00 -0.10 -0.04 0.97 0.85 2ch1A1 VAL 187 HG23 0.14 0.05 -0.15 -0.04 0.95 0.95 2ch1A1 PRO 188 HA -0.15 0.04 0.48 -0.51 4.44 4.30 2ch1A1 PRO 188 HB2 0.27 -0.01 -0.01 -0.04 2.28 2.48 2ch1A1 PRO 188 HB3 0.05 0.01 0.05 -0.04 2.02 2.09 2ch1A1 PRO 188 HG2 0.16 0.04 0.05 -0.04 2.03 2.25 2ch1A1 PRO 188 HG3 0.08 0.04 0.04 -0.04 2.03 2.14 2ch1A1 PRO 188 HD2 0.16 0.11 0.18 -0.04 3.68 4.09 2ch1A1 PRO 188 HD3 0.08 0.17 0.15 -0.04 3.65 4.00 2ch1A1 PHE 189 H -0.65 0.31 0.20 -0.55 8.34 7.64 2ch1A1 PHE 189 HA -0.67 0.05 0.56 -0.75 4.62 3.80 2ch1A1 PHE 189 HB2 -0.03 0.09 -0.18 -0.04 3.15 2.99 2ch1A1 PHE 189 HB3 -0.25 0.08 0.06 -0.04 3.06 2.91 2ch1A1 PHE 189 HD2 -0.08 0.12 -0.13 -0.04 7.28 7.15 2ch1A1 PHE 189 HE2 -0.10 -0.01 -0.06 -0.04 7.38 7.17 2ch1A1 PHE 189 HZ -0.09 -0.02 -0.08 -0.04 7.32 7.09 2ch1A1 TYR 190 H -2.51 0.15 -0.03 -0.55 8.29 5.36 2ch1A1 TYR 190 HA -0.51 0.33 0.97 -0.75 4.56 4.60 2ch1A1 TYR 190 HB2 -1.66 -0.07 0.14 -0.04 3.06 1.43 2ch1A1 TYR 190 HB3 -0.59 -0.06 0.12 -0.04 2.98 2.41 2ch1A1 TYR 190 HD2 -0.83 0.01 -0.04 -0.04 7.15 6.25 2ch1A1 TYR 190 HE2 -0.04 0.02 -0.06 -0.04 6.85 6.74 2ch1A1 MET 191 H -0.14 0.81 0.19 -0.55 8.47 8.78 2ch1A1 MET 191 HA -0.29 -0.03 0.23 -0.75 4.52 3.68 2ch1A1 MET 191 HB2 0.26 0.17 0.03 -0.04 2.15 2.56 2ch1A1 MET 191 HB3 0.03 -0.03 -0.08 -0.04 2.03 1.91 2ch1A1 MET 191 HG2 -0.00 0.07 -0.13 -0.04 2.63 2.52 2ch1A1 MET 191 HG3 0.07 -0.06 -0.11 -0.04 2.56 2.42 2ch1A1 MET 191 HE3 -0.09 0.02 -0.46 -0.04 2.10 1.53 2ch1A1 ASP 192 H -0.08 0.41 -0.01 -0.55 8.40 8.18 2ch1A1 ASP 192 HA -0.01 0.10 0.40 -0.75 4.63 4.37 2ch1A1 ASP 192 HB2 -0.03 0.10 0.18 -0.04 2.71 2.92 2ch1A1 ASP 192 HB3 -0.01 0.04 0.02 -0.04 2.70 2.71 2ch1A1 LYS 193 H -0.11 0.13 -0.02 -0.55 8.42 7.86 2ch1A1 LYS 193 HA -0.01 0.07 0.44 -0.75 4.32 4.07 2ch1A1 LYS 193 HB2 -0.35 0.01 0.09 -0.04 1.87 1.58 2ch1A1 LYS 193 HB3 -0.08 0.01 0.01 -0.04 1.79 1.69 2ch1A1 LYS 193 HG2 -0.10 0.02 0.06 -0.04 1.46 1.40 2ch1A1 LYS 193 HG3 -0.15 -0.02 0.07 -0.04 1.46 1.33 2ch1A1 LYS 193 HD2 -0.66 0.00 0.02 -0.04 1.69 1.01 2ch1A1 LYS 193 HD3 -0.29 -0.00 0.01 -0.04 1.68 1.37 2ch1A1 LYS 193 HE2 -0.21 0.01 0.01 -0.04 2.99 2.76 2ch1A1 LYS 193 HE3 -0.12 -0.00 0.01 -0.04 2.99 2.84 2ch1A1 TRP 194 H -0.04 0.43 -0.46 -0.55 7.97 7.35 2ch1A1 TRP 194 HA -0.07 0.04 0.52 -0.75 4.62 4.35 2ch1A1 TRP 194 HB2 -0.25 0.16 0.02 -0.04 3.23 3.12 2ch1A1 TRP 194 HB3 -0.16 -0.05 0.06 -0.04 3.23 3.04 2ch1A1 TRP 194 HD1 -0.07 0.07 -0.36 -0.04 7.22 6.82 2ch1A1 TRP 194 HE1 -0.02 0.03 -0.06 -0.04 10.20 10.11 2ch1A1 TRP 194 HE3 -0.63 0.06 -0.09 -0.04 7.59 6.89 2ch1A1 TRP 194 HZ2 0.20 0.05 -0.09 -0.04 7.44 7.55 2ch1A1 TRP 194 HZ3 -0.39 0.08 0.01 -0.04 7.13 6.79 2ch1A1 TRP 194 HH2 0.05 0.28 -0.12 -0.04 7.19 7.36 2ch1A1 GLU 195 H 0.10 0.49 -0.48 -0.55 8.60 8.16 2ch1A1 GLU 195 HA 0.13 0.08 0.33 -0.75 4.29 4.08 2ch1A1 GLU 195 HB2 0.09 -0.12 -0.29 -0.04 2.09 1.73 2ch1A1 GLU 195 HB3 0.25 0.00 0.09 -0.04 1.99 2.29 2ch1A1 GLU 195 HG2 0.14 0.02 0.02 -0.04 2.34 2.47 2ch1A1 GLU 195 HG3 0.10 0.09 -0.04 -0.04 2.34 2.46 2ch1A1 ILE 196 H 0.06 0.51 -0.05 -0.55 8.25 8.22 2ch1A1 ILE 196 HA 0.03 0.09 0.82 -0.75 4.18 4.37 2ch1A1 ILE 196 HB 0.02 0.01 0.07 -0.04 1.89 1.96 2ch1A1 ILE 196 HG12 0.02 -0.00 -0.08 -0.04 1.49 1.39 2ch1A1 ILE 196 HG13 0.08 0.09 -0.27 -0.04 1.21 1.06 2ch1A1 ILE 196 HG23 0.04 -0.03 -0.16 -0.04 0.93 0.74 2ch1A1 ILE 196 HD13 0.01 -0.02 -0.10 -0.04 0.88 0.73 2ch1A1 ASP 197 H 0.04 0.49 0.36 -0.55 8.40 8.74 2ch1A1 ASP 197 HA 0.04 0.06 0.77 -0.75 4.63 4.75 2ch1A1 ASP 197 HB2 0.06 0.14 0.11 -0.04 2.71 2.97 2ch1A1 ASP 197 HB3 0.05 -0.13 0.14 -0.04 2.70 2.71 2ch1A1 ALA 198 H -0.01 0.33 0.21 -0.55 8.40 8.38 2ch1A1 ALA 198 HA -0.05 0.32 0.96 -0.75 4.34 4.82 2ch1A1 ALA 198 HB3 0.01 -0.00 0.02 -0.04 1.41 1.40 2ch1A1 VAL 199 H -0.16 0.63 0.38 -0.55 8.24 8.54 2ch1A1 VAL 199 HA -0.14 0.35 0.91 -0.75 4.13 4.49 2ch1A1 VAL 199 HB -0.11 -0.02 -0.15 -0.04 2.12 1.80 2ch1A1 VAL 199 HG13 -0.95 0.02 -0.13 -0.04 0.97 -0.13 2ch1A1 VAL 199 HG23 -0.30 0.01 0.01 -0.04 0.95 0.63 2ch1A1 TYR 200 H -0.41 0.28 0.37 -0.55 8.29 7.98 2ch1A1 TYR 200 HA -0.02 0.35 0.68 -0.75 4.56 4.82 2ch1A1 TYR 200 HB2 -0.07 0.11 0.13 -0.04 3.06 3.19 2ch1A1 TYR 200 HB3 -0.10 0.06 0.00 -0.04 2.98 2.90 2ch1A1 TYR 200 HD2 -0.09 0.06 -0.24 -0.04 7.15 6.85 2ch1A1 TYR 200 HE2 -0.01 -0.01 -0.18 -0.04 6.85 6.61 2ch1A1 THR 201 H 0.19 0.52 0.18 -0.55 8.28 8.62 2ch1A1 THR 201 HA -0.13 0.02 0.48 -0.75 4.39 4.01 2ch1A1 THR 201 HB -0.08 0.09 -0.16 -0.04 4.32 4.13 2ch1A1 THR 201 HG23 -0.14 0.06 0.12 -0.04 1.22 1.22 2ch1A1 GLY 202 H -0.09 0.37 0.24 -0.55 8.43 8.40 2ch1A1 GLY 202 HA2 -0.01 0.05 0.96 -0.51 4.01 4.51 2ch1A1 GLY 202 HA3 -0.06 0.01 0.35 -0.51 4.01 3.81 2ch1A1 ALA 203 H -0.00 0.20 0.22 -0.55 8.40 8.26 2ch1A1 ALA 203 HA -0.02 0.10 0.54 -0.75 4.34 4.20 2ch1A1 ALA 203 HB3 0.02 0.01 0.02 -0.04 1.41 1.41 2ch1A1 GLN 204 H 0.00 -0.07 -0.17 -0.55 8.47 7.68 2ch1A1 GLN 204 HA 0.01 0.44 0.27 -0.75 4.36 4.33 2ch1A1 GLN 204 HB2 0.03 0.06 0.12 -0.04 2.15 2.32 2ch1A1 GLN 204 HB3 0.03 -0.06 0.02 -0.04 2.02 1.97 2ch1A1 GLN 204 HG2 0.02 0.04 0.09 -0.04 2.40 2.51 2ch1A1 GLN 204 HG3 0.04 0.06 0.06 -0.04 2.39 2.51 2ch1A1 GLN 204 HE21 0.02 -0.18 0.05 -0.04 6.97 6.82 2ch1A1 GLN 204 HE22 0.04 0.12 -0.01 -0.04 7.69 7.79 2ch1A1 VAL 206 HA -0.03 -0.14 0.35 -0.75 4.13 3.56 2ch1A1 VAL 206 HB -0.07 0.11 0.03 -0.04 2.12 2.16 2ch1A1 VAL 206 HG13 -0.04 -0.01 -0.25 -0.04 0.97 0.63 2ch1A1 VAL 206 HG23 -0.05 -0.00 -0.07 -0.04 0.95 0.79 2ch1A1 LEU 207 H -0.05 0.26 0.13 -0.55 8.37 8.16 2ch1A1 LEU 207 HA -0.04 0.06 0.37 -0.75 4.35 3.99 2ch1A1 LEU 207 HB2 -0.05 0.12 0.23 -0.04 1.64 1.90 2ch1A1 LEU 207 HB3 -0.03 -0.02 0.00 -0.04 1.64 1.56 2ch1A1 LEU 207 HG -0.04 -0.05 -0.05 -0.04 1.64 1.45 2ch1A1 LEU 207 HD13 -0.08 0.01 -0.04 -0.04 0.93 0.78 2ch1A1 LEU 207 HD23 -0.11 -0.02 -0.05 -0.04 0.89 0.67 2ch1A1 GLY 208 H -0.01 0.10 -0.42 -0.55 8.43 7.55 2ch1A1 GLY 208 HA2 0.01 0.00 0.06 -0.51 4.01 3.57 2ch1A1 GLY 208 HA3 0.00 0.02 0.50 -0.51 4.01 4.03 2ch1A1 ALA 209 H 0.00 0.47 -0.05 -0.55 8.40 8.27 2ch1A1 ALA 209 HA 0.02 0.18 0.70 -0.75 4.34 4.49 2ch1A1 ALA 209 HB3 0.01 -0.01 -0.03 -0.04 1.41 1.34 2ch1A1 PRO 210 HA 0.04 0.13 0.48 -0.51 4.44 4.58 2ch1A1 PRO 210 HB2 0.04 0.09 -0.02 -0.04 2.28 2.35 2ch1A1 PRO 210 HB3 0.04 0.03 0.04 -0.04 2.02 2.10 2ch1A1 PRO 210 HG2 0.04 -0.02 0.05 -0.04 2.03 2.07 2ch1A1 PRO 210 HG3 0.05 0.09 0.02 -0.04 2.03 2.14 2ch1A1 PRO 210 HD2 0.04 0.05 0.06 -0.04 3.68 3.78 2ch1A1 PRO 210 HD3 0.04 0.16 0.01 -0.04 3.65 3.82 2ch1A1 PRO 211 HA 0.04 -0.07 0.49 -0.51 4.44 4.38 2ch1A1 PRO 211 HB2 0.05 -0.00 0.03 -0.04 2.28 2.32 2ch1A1 PRO 211 HB3 0.04 -0.04 0.14 -0.04 2.02 2.12 2ch1A1 PRO 211 HG2 0.05 0.06 0.05 -0.04 2.03 2.15 2ch1A1 PRO 211 HG3 0.05 0.08 0.08 -0.04 2.03 2.20 2ch1A1 PRO 211 HD2 0.04 0.13 0.19 -0.04 3.68 4.00 2ch1A1 PRO 211 HD3 0.04 0.20 0.21 -0.04 3.65 4.06 2ch1A1 GLY 212 H 0.05 0.01 0.17 -0.55 8.43 8.12 2ch1A1 GLY 212 HA2 0.07 -0.10 0.10 -0.51 4.01 3.57 2ch1A1 GLY 212 HA3 0.07 0.28 0.78 -0.51 4.01 4.63 2ch1A1 ILE 213 H 0.05 0.15 0.09 -0.55 8.25 7.99 2ch1A1 ILE 213 HA 0.09 0.15 0.92 -0.75 4.18 4.58 2ch1A1 ILE 213 HB 0.10 -0.02 -0.18 -0.04 1.89 1.75 2ch1A1 ILE 213 HG12 0.08 0.01 -0.19 -0.04 1.49 1.35 2ch1A1 ILE 213 HG13 0.15 0.03 -0.01 -0.04 1.21 1.34 2ch1A1 ILE 213 HG23 0.06 0.02 -0.13 -0.04 0.93 0.83 2ch1A1 ILE 213 HD13 0.21 -0.01 -0.17 -0.04 0.88 0.87 2ch1A1 THR 214 H 0.03 0.70 0.27 -0.55 8.28 8.73 2ch1A1 THR 214 HA 0.01 0.17 1.00 -0.75 4.39 4.81 2ch1A1 THR 214 HB -0.04 -0.05 0.02 -0.04 4.32 4.21 2ch1A1 THR 214 HG23 -0.01 0.07 -0.04 -0.04 1.22 1.21 2ch1A1 PRO 215 HA -0.07 0.23 0.78 -0.51 4.44 4.87 2ch1A1 PRO 215 HB2 0.03 -0.09 -0.05 -0.04 2.28 2.13 2ch1A1 PRO 215 HB3 -0.07 0.09 0.01 -0.04 2.02 2.02 2ch1A1 PRO 215 HG2 -0.08 0.05 -0.08 -0.04 2.03 1.88 2ch1A1 PRO 215 HG3 -0.04 0.06 -0.04 -0.04 2.03 1.97 2ch1A1 PRO 215 HD2 0.01 0.13 0.10 -0.04 3.68 3.88 2ch1A1 PRO 215 HD3 -0.00 0.23 0.15 -0.04 3.65 3.99 2ch1A1 ILE 216 H 0.00 0.67 0.42 -0.55 8.25 8.79 2ch1A1 ILE 216 HA -0.01 0.25 0.95 -0.75 4.18 4.60 2ch1A1 ILE 216 HB -0.12 -0.03 -0.14 -0.04 1.89 1.56 2ch1A1 ILE 216 HG12 -0.06 0.04 -0.00 -0.04 1.49 1.43 2ch1A1 ILE 216 HG13 0.04 0.08 0.00 -0.04 1.21 1.29 2ch1A1 ILE 216 HG23 -0.13 -0.02 -0.28 -0.04 0.93 0.46 2ch1A1 ILE 216 HD13 -0.16 -0.03 -0.08 -0.04 0.88 0.57 2ch1A1 SER 217 H -0.25 0.56 0.32 -0.55 8.46 8.55 2ch1A1 SER 217 HA -0.10 0.31 0.71 -0.75 4.49 4.66 2ch1A1 SER 217 HB2 -0.26 0.01 -0.18 -0.04 3.95 3.48 2ch1A1 SER 217 HB3 -0.48 -0.10 -0.03 -0.04 3.93 3.29 2ch1A1 ILE 218 H -0.05 0.72 0.26 -0.55 8.25 8.62 2ch1A1 ILE 218 HA -0.05 0.31 1.04 -0.75 4.18 4.73 2ch1A1 ILE 218 HB -0.01 0.00 0.14 -0.04 1.89 1.98 2ch1A1 ILE 218 HG12 0.00 0.03 0.03 -0.04 1.49 1.51 2ch1A1 ILE 218 HG13 0.02 -0.02 -0.11 -0.04 1.21 1.06 2ch1A1 ILE 218 HG23 -0.03 -0.02 -0.08 -0.04 0.93 0.76 2ch1A1 ILE 218 HD13 0.03 -0.01 -0.17 -0.04 0.88 0.69 2ch1A1 SER 219 H -0.01 0.62 0.35 -0.55 8.46 8.88 2ch1A1 SER 219 HA -0.00 0.11 0.57 -0.75 4.49 4.41 2ch1A1 SER 219 HB2 -0.00 0.02 0.18 -0.04 3.95 4.10 2ch1A1 SER 219 HB3 0.01 0.20 0.23 -0.04 3.93 4.32 2ch1A1 PRO 220 HA 0.01 0.10 0.50 -0.51 4.44 4.54 2ch1A1 PRO 220 HB2 -0.01 0.06 0.03 -0.04 2.28 2.32 2ch1A1 PRO 220 HB3 0.00 0.08 0.11 -0.04 2.02 2.18 2ch1A1 PRO 220 HG2 -0.01 0.09 0.10 -0.04 2.03 2.17 2ch1A1 PRO 220 HG3 0.01 0.05 0.12 -0.04 2.03 2.17 2ch1A1 PRO 220 HD2 -0.01 0.11 0.23 -0.04 3.68 3.97 2ch1A1 PRO 220 HD3 0.00 0.11 0.24 -0.04 3.65 3.97 2ch1A1 LYS 221 H -0.03 0.11 -0.16 -0.55 8.42 7.79 2ch1A1 LYS 221 HA -0.03 0.13 0.47 -0.75 4.32 4.13 2ch1A1 LYS 221 HB2 -0.08 0.00 0.08 -0.04 1.87 1.83 2ch1A1 LYS 221 HB3 -0.03 -0.06 0.05 -0.04 1.79 1.71 2ch1A1 LYS 221 HG2 -0.02 0.04 -0.12 -0.04 1.46 1.32 2ch1A1 LYS 221 HG3 -0.06 0.03 -0.00 -0.04 1.46 1.38 2ch1A1 LYS 221 HD2 -0.17 -0.07 -0.04 -0.04 1.69 1.37 2ch1A1 LYS 221 HD3 0.03 0.06 -0.13 -0.04 1.68 1.59 2ch1A1 LYS 221 HE2 -0.03 0.10 -0.06 -0.04 2.99 2.96 2ch1A1 LYS 221 HE3 -0.06 0.02 -0.04 -0.04 2.99 2.86 2ch1A1 ALA 222 H 0.00 0.02 -0.14 -0.55 8.40 7.74 2ch1A1 ALA 222 HA 0.01 0.11 0.35 -0.75 4.34 4.05 2ch1A1 ALA 222 HB3 0.01 -0.00 0.10 -0.04 1.41 1.48 2ch1A1 LEU 223 H 0.00 0.62 -0.21 -0.55 8.37 8.23 2ch1A1 LEU 223 HA -0.00 0.00 0.41 -0.75 4.35 4.00 2ch1A1 LEU 223 HB2 0.04 0.01 -0.01 -0.04 1.64 1.64 2ch1A1 LEU 223 HB3 0.01 0.06 0.13 -0.04 1.64 1.80 2ch1A1 LEU 223 HG -0.07 0.03 -0.23 -0.04 1.64 1.33 2ch1A1 LEU 223 HD13 -0.10 -0.02 -0.04 -0.04 0.93 0.73 2ch1A1 LEU 223 HD23 0.07 -0.01 -0.05 -0.04 0.89 0.85 2ch1A1 ASP 224 H -0.02 0.63 -0.08 -0.55 8.40 8.39 2ch1A1 ASP 224 HA -0.04 -0.02 0.46 -0.75 4.63 4.28 2ch1A1 ASP 224 HB2 -0.02 -0.03 0.12 -0.04 2.71 2.74 2ch1A1 ASP 224 HB3 -0.02 0.09 0.17 -0.04 2.70 2.90 2ch1A1 VAL 225 H -0.01 0.55 -0.12 -0.55 8.24 8.12 2ch1A1 VAL 225 HA -0.01 0.02 0.45 -0.75 4.13 3.84 2ch1A1 VAL 225 HB 0.00 0.10 0.14 -0.04 2.12 2.32 2ch1A1 VAL 225 HG13 0.01 0.01 -0.10 -0.04 0.97 0.84 2ch1A1 VAL 225 HG23 0.01 0.03 0.01 -0.04 0.95 0.96 2ch1A1 ILE 226 H -0.01 0.38 -0.23 -0.55 8.25 7.83 2ch1A1 ILE 226 HA -0.01 0.15 0.46 -0.75 4.18 4.03 2ch1A1 ILE 226 HB -0.03 0.05 0.12 -0.04 1.89 1.99 2ch1A1 ILE 226 HG12 -0.01 0.15 -0.18 -0.04 1.49 1.41 2ch1A1 ILE 226 HG13 -0.01 0.29 0.04 -0.04 1.21 1.50 2ch1A1 ILE 226 HG23 -0.01 -0.03 -0.05 -0.04 0.93 0.79 2ch1A1 ILE 226 HD13 0.00 -0.08 -0.11 -0.04 0.88 0.65 2ch1A1 ARG 227 H -0.04 0.58 0.01 -0.55 8.46 8.45 2ch1A1 ARG 227 HA -0.05 -0.06 0.40 -0.75 4.34 3.87 2ch1A1 ARG 227 HB2 -0.05 0.09 0.08 -0.04 1.90 1.99 2ch1A1 ARG 227 HB3 -0.06 -0.07 0.07 -0.04 1.80 1.71 2ch1A1 ARG 227 HG2 -0.10 0.07 0.06 -0.04 1.67 1.66 2ch1A1 ARG 227 HG3 -0.09 -0.07 -0.07 -0.04 1.67 1.41 2ch1A1 ARG 227 HD2 -0.12 0.00 -0.00 -0.04 3.22 3.06 2ch1A1 ARG 227 HD3 -0.19 -0.05 -0.02 -0.04 3.22 2.91 2ch1A1 ASN 228 H -0.02 0.36 -0.52 -0.55 8.53 7.80 2ch1A1 ASN 228 HA -0.01 0.13 0.70 -0.75 4.76 4.83 2ch1A1 ASN 228 HB2 -0.01 0.09 0.07 -0.04 2.88 2.99 2ch1A1 ASN 228 HB3 -0.01 -0.09 0.13 -0.04 2.79 2.78 2ch1A1 ASN 228 HD21 -0.02 -0.09 -0.07 -0.04 7.03 6.81 2ch1A1 ASN 228 HD22 -0.01 0.07 -0.04 -0.04 7.74 7.71 2ch1A1 ARG 229 H -0.01 0.37 -0.25 -0.55 8.46 8.02 2ch1A1 ARG 229 HA 0.00 0.01 0.53 -0.75 4.34 4.12 2ch1A1 ARG 229 HB2 0.00 -0.11 0.08 -0.04 1.90 1.83 2ch1A1 ARG 229 HB3 0.00 0.01 0.10 -0.04 1.80 1.86 2ch1A1 ARG 229 HG2 -0.01 0.36 0.26 -0.04 1.67 2.23 2ch1A1 ARG 229 HG3 -0.00 -0.08 0.05 -0.04 1.67 1.60 2ch1A1 ARG 229 HD2 -0.01 0.11 0.02 -0.04 3.22 3.31 2ch1A1 ARG 229 HD3 -0.00 -0.17 0.12 -0.04 3.22 3.13 2ch1A1 ARG 230 H 0.01 0.08 0.20 -0.55 8.46 8.19 2ch1A1 ARG 230 HA 0.01 0.10 0.49 -0.75 4.34 4.18 2ch1A1 ARG 230 HB2 0.01 0.01 0.18 -0.04 1.90 2.05 2ch1A1 ARG 230 HB3 0.01 -0.02 -0.00 -0.04 1.80 1.75 2ch1A1 ARG 230 HG2 0.01 -0.03 0.03 -0.04 1.67 1.63 2ch1A1 ARG 230 HG3 0.01 -0.01 0.09 -0.04 1.67 1.71 2ch1A1 ARG 230 HD2 0.01 0.01 0.05 -0.04 3.22 3.24 2ch1A1 ARG 230 HD3 0.01 -0.05 0.03 -0.04 3.22 3.17 2ch1A1 THR 231 H 0.01 0.14 -0.05 -0.55 8.28 7.83 2ch1A1 THR 231 HA 0.02 0.14 0.83 -0.75 4.39 4.62 2ch1A1 THR 231 HB 0.02 0.12 0.02 -0.04 4.32 4.45 2ch1A1 THR 231 HG23 0.02 -0.01 -0.07 -0.04 1.22 1.11 2ch1A1 LYS 232 H 0.02 0.07 0.11 -0.55 8.42 8.07 2ch1A1 LYS 232 HA 0.02 0.05 0.52 -0.75 4.32 4.15 2ch1A1 LYS 232 HB2 0.04 -0.05 0.11 -0.04 1.87 1.93 2ch1A1 LYS 232 HB3 0.05 0.14 -0.05 -0.04 1.79 1.89 2ch1A1 LYS 232 HG2 0.05 -0.03 0.04 -0.04 1.46 1.47 2ch1A1 LYS 232 HG3 0.03 0.03 0.01 -0.04 1.46 1.50 2ch1A1 LYS 232 HD2 0.04 -0.00 0.03 -0.04 1.69 1.71 2ch1A1 LYS 232 HD3 0.05 -0.00 0.01 -0.04 1.68 1.70 2ch1A1 LYS 232 HE2 0.08 -0.03 -0.00 -0.04 2.99 3.00 2ch1A1 LYS 232 HE3 0.05 0.02 -0.00 -0.04 2.99 3.01 2ch1A1 SER 233 H 0.02 0.03 0.15 -0.55 8.46 8.12 2ch1A1 SER 233 HA 0.01 0.24 0.63 -0.75 4.49 4.62 2ch1A1 SER 233 HB2 0.00 0.06 -0.01 -0.04 3.95 3.95 2ch1A1 SER 233 HB3 0.00 0.14 0.17 -0.04 3.93 4.20 2ch1A1 LYS 234 H 0.02 0.25 0.15 -0.55 8.42 8.28 2ch1A1 LYS 234 HA 0.06 0.13 0.31 -0.75 4.32 4.07 2ch1A1 LYS 234 HB2 0.17 0.04 0.16 -0.04 1.87 2.20 2ch1A1 LYS 234 HB3 0.20 -0.05 -0.00 -0.04 1.79 1.89 2ch1A1 LYS 234 HG2 0.11 -0.03 0.05 -0.04 1.46 1.55 2ch1A1 LYS 234 HG3 0.08 0.03 0.03 -0.04 1.46 1.56 2ch1A1 LYS 234 HD2 0.15 0.06 0.09 -0.04 1.69 1.94 2ch1A1 LYS 234 HD3 0.23 0.02 0.05 -0.04 1.68 1.95 2ch1A1 LYS 234 HE2 0.07 -0.06 0.02 -0.04 2.99 2.98 2ch1A1 LYS 234 HE3 0.07 0.01 0.03 -0.04 2.99 3.05 2ch1A1 VAL 235 H 0.02 0.12 -0.39 -0.55 8.24 7.45 2ch1A1 VAL 235 HA -0.09 0.22 0.89 -0.75 4.13 4.38 2ch1A1 VAL 235 HB -0.61 -0.01 -0.03 -0.04 2.12 1.43 2ch1A1 VAL 235 HG13 -1.16 -0.05 -0.13 -0.04 0.97 -0.41 2ch1A1 VAL 235 HG23 0.14 0.03 -0.18 -0.04 0.95 0.91 2ch1A1 PHE 236 H 0.10 0.28 0.12 -0.55 8.34 8.29 2ch1A1 PHE 236 HA 0.02 0.08 0.39 -0.75 4.62 4.36 2ch1A1 PHE 236 HB2 -0.01 0.09 0.11 -0.04 3.15 3.30 2ch1A1 PHE 236 HB3 -0.04 -0.04 0.14 -0.04 3.06 3.08 2ch1A1 PHE 236 HD2 -0.00 -0.02 -0.10 -0.04 7.28 7.12 2ch1A1 PHE 236 HE2 -0.09 0.08 -0.01 -0.04 7.38 7.32 2ch1A1 PHE 236 HZ 0.07 0.08 0.04 -0.04 7.32 7.47 2ch1A1 TYR 237 H 0.04 0.07 -0.17 -0.55 8.29 7.68 2ch1A1 TYR 237 HA -0.17 0.10 0.27 -0.75 4.56 4.01 2ch1A1 TYR 237 HB2 -0.23 0.01 0.06 -0.04 3.06 2.87 2ch1A1 TYR 237 HB3 -0.65 -0.04 -0.05 -0.04 2.98 2.20 2ch1A1 TYR 237 HD2 -0.21 -0.02 -0.09 -0.04 7.15 6.80 2ch1A1 TYR 237 HE2 -0.03 0.05 -0.00 -0.04 6.85 6.83 2ch1A1 TRP 238 H -0.47 0.12 -0.42 -0.55 7.97 6.65 2ch1A1 TRP 238 HA -0.11 0.25 0.65 -0.75 4.62 4.66 2ch1A1 TRP 238 HB2 -0.06 -0.03 0.11 -0.04 3.23 3.21 2ch1A1 TRP 238 HB3 -0.07 -0.02 -0.07 -0.04 3.23 3.03 2ch1A1 TRP 238 HD1 -0.03 0.05 -0.22 -0.04 7.22 6.98 2ch1A1 TRP 238 HE1 0.05 0.06 -0.20 -0.04 10.20 10.06 2ch1A1 TRP 238 HE3 0.19 0.01 -0.20 -0.04 7.59 7.55 2ch1A1 TRP 238 HZ2 0.20 0.05 -0.10 -0.04 7.44 7.54 2ch1A1 TRP 238 HZ3 0.16 -0.00 -0.09 -0.04 7.13 7.16 2ch1A1 TRP 238 HH2 0.09 0.01 -0.08 -0.04 7.19 7.16 2ch1A1 ASP 239 H -0.07 0.38 -0.20 -0.55 8.40 7.96 2ch1A1 ASP 239 HA 0.04 0.06 0.62 -0.75 4.63 4.58 2ch1A1 ASP 239 HB2 -0.07 0.12 0.13 -0.04 2.71 2.85 2ch1A1 ASP 239 HB3 -0.25 0.05 0.22 -0.04 2.70 2.68 2ch1A1 LEU 240 H 0.02 0.25 0.17 -0.55 8.37 8.27 2ch1A1 LEU 240 HA -0.00 0.03 0.26 -0.75 4.35 3.89 2ch1A1 LEU 240 HB2 0.02 0.07 0.10 -0.04 1.64 1.78 2ch1A1 LEU 240 HB3 0.05 0.03 -0.07 -0.04 1.64 1.60 2ch1A1 LEU 240 HG -0.02 -0.03 -0.10 -0.04 1.64 1.45 2ch1A1 LEU 240 HD13 -0.01 0.06 -0.14 -0.04 0.93 0.80 2ch1A1 LEU 240 HD23 -0.02 0.02 -0.12 -0.04 0.89 0.73 2ch1A1 LEU 241 H -0.01 0.12 -0.22 -0.55 8.37 7.71 2ch1A1 LEU 241 HA 0.09 0.14 0.58 -0.75 4.35 4.42 2ch1A1 LEU 241 HB2 -0.03 -0.02 -0.01 -0.04 1.64 1.54 2ch1A1 LEU 241 HB3 -0.06 0.05 -0.03 -0.04 1.64 1.56 2ch1A1 LEU 241 HG -0.03 -0.07 -0.04 -0.04 1.64 1.45 2ch1A1 LEU 241 HD13 -0.05 0.05 -0.08 -0.04 0.93 0.80 2ch1A1 LEU 241 HD23 -0.14 0.01 -0.12 -0.04 0.89 0.59 2ch1A1 LEU 242 H -0.11 0.11 -0.24 -0.55 8.37 7.58 2ch1A1 LEU 242 HA -0.06 0.11 0.48 -0.75 4.35 4.12 2ch1A1 LEU 242 HB2 -0.61 0.17 0.11 -0.04 1.64 1.27 2ch1A1 LEU 242 HB3 -0.45 0.02 0.02 -0.04 1.64 1.20 2ch1A1 LEU 242 HG -0.12 -0.10 0.00 -0.04 1.64 1.38 2ch1A1 LEU 242 HD13 -0.29 0.03 0.03 -0.04 0.93 0.66 2ch1A1 LEU 242 HD23 0.02 0.01 -0.08 -0.04 0.89 0.81 2ch1A1 LEU 243 H -0.23 0.55 -0.04 -0.55 8.37 8.11 2ch1A1 LEU 243 HA -0.10 0.04 0.31 -0.75 4.35 3.85 2ch1A1 LEU 243 HB2 -0.15 0.12 -0.05 -0.04 1.64 1.52 2ch1A1 LEU 243 HB3 -0.04 -0.05 -0.05 -0.04 1.64 1.46 2ch1A1 LEU 243 HG 0.05 -0.01 -0.18 -0.04 1.64 1.46 2ch1A1 LEU 243 HD13 0.43 0.01 0.04 -0.04 0.93 1.38 2ch1A1 LEU 243 HD23 0.01 0.02 -0.06 -0.04 0.89 0.82 2ch1A1 GLY 244 H 0.05 0.39 -0.27 -0.55 8.43 8.05 2ch1A1 GLY 244 HA2 -0.09 0.05 0.38 -0.51 4.01 3.83 2ch1A1 GLY 244 HA3 -0.25 0.15 0.19 -0.51 4.01 3.59 2ch1A1 ASN 245 H 0.14 0.29 -0.61 -0.55 8.53 7.80 2ch1A1 ASN 245 HA 0.08 -0.03 0.47 -0.75 4.76 4.52 2ch1A1 ASN 245 HB2 0.23 0.04 0.08 -0.04 2.88 3.19 2ch1A1 ASN 245 HB3 0.12 0.16 0.18 -0.04 2.79 3.21 2ch1A1 ASN 245 HD21 0.11 0.53 -0.09 -0.04 7.03 7.54 2ch1A1 ASN 245 HD22 0.14 -0.08 -0.11 -0.04 7.74 7.65 2ch1A1 TYR 246 H 0.18 0.46 -0.04 -0.55 8.29 8.34 2ch1A1 TYR 246 HA -0.04 -0.01 0.48 -0.75 4.56 4.25 2ch1A1 TYR 246 HB2 0.04 0.16 0.20 -0.04 3.06 3.42 2ch1A1 TYR 246 HB3 0.06 0.06 0.18 -0.04 2.98 3.24 2ch1A1 TYR 246 HD2 -0.18 0.05 -0.09 -0.04 7.15 6.89 2ch1A1 TYR 246 HE2 -0.60 -0.04 -0.04 -0.04 6.85 6.14 2ch1A1 TRP 247 H 0.27 0.43 -0.26 -0.55 7.97 7.86 2ch1A1 TRP 247 HA -0.25 0.05 0.63 -0.75 4.62 4.30 2ch1A1 TRP 247 HB2 -0.12 0.02 0.08 -0.04 3.23 3.17 2ch1A1 TRP 247 HB3 -0.11 0.06 0.13 -0.04 3.23 3.27 2ch1A1 TRP 247 HD1 0.11 0.26 0.03 -0.04 7.22 7.58 2ch1A1 TRP 247 HE1 0.14 -0.01 0.00 -0.04 10.20 10.29 2ch1A1 TRP 247 HE3 -0.04 0.15 0.08 -0.04 7.59 7.74 2ch1A1 TRP 247 HZ2 0.06 -0.04 -0.06 -0.04 7.44 7.35 2ch1A1 TRP 247 HZ3 0.00 0.10 0.06 -0.04 7.13 7.25 2ch1A1 TRP 247 HH2 0.02 -0.02 -0.06 -0.04 7.19 7.09 2ch1A1 GLY 248 H -0.13 0.37 -0.70 -0.55 8.43 7.41 2ch1A1 GLY 248 HA2 -0.14 0.06 0.36 -0.51 4.01 3.78 2ch1A1 GLY 248 HA3 -0.18 -0.02 0.41 -0.51 4.01 3.71 2ch1A1 CYS 249 H -0.33 0.59 0.07 -0.55 8.50 8.28 2ch1A1 CYS 249 HA -0.14 0.25 0.77 -0.75 4.58 4.71 2ch1A1 CYS 249 HB2 -1.13 -0.08 -0.06 -0.04 2.97 1.66 2ch1A1 CYS 249 HB3 -0.35 -0.14 -0.13 -0.04 2.97 2.30 2ch1A1 TYR 250 H -0.16 0.11 -0.07 -0.55 8.29 7.62 2ch1A1 TYR 250 HA 0.00 0.16 0.68 -0.75 4.56 4.65 2ch1A1 TYR 250 HB2 0.01 0.02 -0.10 -0.04 3.06 2.95 2ch1A1 TYR 250 HB3 0.00 -0.02 -0.03 -0.04 2.98 2.90 2ch1A1 TYR 250 HD2 0.00 0.08 -0.26 -0.04 7.15 6.94 2ch1A1 TYR 250 HE2 -0.01 0.04 -0.07 -0.04 6.85 6.77 2ch1A1 ASP 251 H 0.13 0.13 0.03 -0.55 8.40 8.14 2ch1A1 ASP 251 HA 0.04 0.17 0.70 -0.75 4.63 4.78 2ch1A1 ASP 251 HB2 0.04 -0.02 0.19 -0.04 2.71 2.88 2ch1A1 ASP 251 HB3 0.03 0.01 0.14 -0.04 2.70 2.83 2ch1A1 GLU 252 H 0.06 0.59 -0.30 -0.55 8.60 8.41 2ch1A1 GLU 252 HA 0.05 0.15 0.72 -0.75 4.29 4.45 2ch1A1 GLU 252 HB2 0.11 0.00 -0.17 -0.04 2.09 1.99 2ch1A1 GLU 252 HB3 0.07 0.05 0.02 -0.04 1.99 2.09 2ch1A1 GLU 252 HG2 0.05 0.11 -0.27 -0.04 2.34 2.20 2ch1A1 GLU 252 HG3 0.14 -0.25 -0.63 -0.04 2.34 1.56 2ch1A1 PRO 253 HA 0.02 0.06 0.65 -0.51 4.44 4.67 2ch1A1 PRO 253 HB2 0.06 0.07 -0.06 -0.04 2.28 2.32 2ch1A1 PRO 253 HB3 0.04 0.00 0.08 -0.04 2.02 2.10 2ch1A1 PRO 253 HG2 0.06 0.02 0.03 -0.04 2.03 2.10 2ch1A1 PRO 253 HG3 0.04 0.02 0.04 -0.04 2.03 2.10 2ch1A1 PRO 253 HD2 0.05 0.09 0.21 -0.04 3.68 3.99 2ch1A1 PRO 253 HD3 0.03 0.13 0.10 -0.04 3.65 3.87 2ch1A1 LYS 254 H 0.04 0.07 0.15 -0.55 8.42 8.12 2ch1A1 LYS 254 HA 0.09 0.11 0.24 -0.75 4.32 4.01 2ch1A1 LYS 254 HB2 0.11 -0.10 0.14 -0.04 1.87 1.99 2ch1A1 LYS 254 HB3 0.01 0.02 0.01 -0.04 1.79 1.79 2ch1A1 LYS 254 HG2 -0.27 0.23 0.14 -0.04 1.46 1.52 2ch1A1 LYS 254 HG3 -0.20 -0.05 0.14 -0.04 1.46 1.31 2ch1A1 LYS 254 HD2 -1.05 -0.12 0.06 -0.04 1.69 0.54 2ch1A1 LYS 254 HD3 -1.24 0.16 0.07 -0.04 1.68 0.63 2ch1A1 LYS 254 HE2 -0.44 0.06 -0.03 -0.04 2.99 2.55 2ch1A1 LYS 254 HE3 -0.40 -0.05 0.05 -0.04 2.99 2.56 2ch1A1 ARG 255 H 0.23 0.16 0.07 -0.55 8.46 8.37 2ch1A1 ARG 255 HA 0.37 0.13 0.85 -0.75 4.34 4.93 2ch1A1 ARG 255 HB2 0.19 -0.01 0.02 -0.04 1.90 2.05 2ch1A1 ARG 255 HB3 0.22 0.04 -0.01 -0.04 1.80 2.01 2ch1A1 ARG 255 HG2 0.14 -0.03 -0.03 -0.04 1.67 1.71 2ch1A1 ARG 255 HG3 0.15 0.11 -0.32 -0.04 1.67 1.57 2ch1A1 ARG 255 HD2 0.12 -0.02 -0.03 -0.04 3.22 3.25 2ch1A1 ARG 255 HD3 0.11 -0.03 -0.03 -0.04 3.22 3.24 2ch1A1 TYR 256 H 0.50 0.12 0.07 -0.55 8.29 8.43 2ch1A1 TYR 256 HA 0.21 0.00 0.47 -0.75 4.56 4.49 2ch1A1 TYR 256 HB2 0.39 -0.03 0.06 -0.04 3.06 3.44 2ch1A1 TYR 256 HB3 0.18 0.02 0.10 -0.04 2.98 3.24 2ch1A1 TYR 256 HD2 0.02 -0.00 -0.10 -0.04 7.15 7.03 2ch1A1 TYR 256 HE2 -0.03 -0.02 -0.24 -0.04 6.85 6.52 2ch1A1 HIS 257 H -0.43 0.06 0.21 -0.55 8.41 7.70 2ch1A1 HIS 257 HA -0.17 0.20 0.91 -0.75 4.63 4.82 2ch1A1 HIS 257 HB2 -0.06 0.11 -0.04 -0.04 3.26 3.23 2ch1A1 HIS 257 HB3 -0.21 -0.05 0.16 -0.04 3.20 3.06 2ch1A1 HIS 257 HD2 -0.55 -0.00 -0.01 -0.04 6.97 6.37 2ch1A1 HIS 257 HE1 -0.30 0.36 -0.03 -0.04 7.75 7.74 2ch1A1 HIS 258 H -0.62 0.29 0.24 -0.55 8.41 7.79 2ch1A1 HIS 258 HA -0.33 0.10 0.49 -0.75 4.63 4.14 2ch1A1 HIS 258 HB2 0.01 -0.01 0.12 -0.04 3.26 3.34 2ch1A1 HIS 258 HB3 -0.37 0.10 -0.16 -0.04 3.20 2.72 2ch1A1 HIS 258 HD2 0.10 0.23 -0.20 -0.04 6.97 7.06 2ch1A1 HIS 258 HE1 0.12 0.02 -0.01 -0.04 7.75 7.83 2ch1A1 THR 259 H 0.16 0.16 0.12 -0.55 8.28 8.18 2ch1A1 THR 259 HA -0.08 0.02 0.68 -0.75 4.39 4.26 2ch1A1 THR 259 HB 0.09 0.01 0.16 -0.04 4.32 4.55 2ch1A1 THR 259 HG23 -0.00 0.04 0.00 -0.04 1.22 1.22 2ch1A1 VAL 260 H -0.20 0.12 0.21 -0.55 8.24 7.81 2ch1A1 VAL 260 HA 0.05 0.14 0.54 -0.75 4.13 4.11 2ch1A1 VAL 260 HB 0.08 -0.03 -0.01 -0.04 2.12 2.12 2ch1A1 VAL 260 HG13 -0.13 0.05 -0.02 -0.04 0.97 0.83 2ch1A1 VAL 260 HG23 -0.10 -0.01 -0.08 -0.04 0.95 0.72 2ch1A1 ALA 261 H 0.10 0.19 0.05 -0.55 8.40 8.19 2ch1A1 ALA 261 HA 0.00 0.16 0.64 -0.75 4.34 4.39 2ch1A1 ALA 261 HB3 0.06 0.03 0.10 -0.04 1.41 1.56 2ch1A1 SER 262 H -0.11 0.46 0.12 -0.55 8.46 8.38 2ch1A1 SER 262 HA -0.41 0.05 0.32 -0.75 4.49 3.70 2ch1A1 SER 262 HB2 -0.13 -0.01 0.20 -0.04 3.95 3.97 2ch1A1 SER 262 HB3 -0.43 0.15 -0.06 -0.04 3.93 3.55 2ch1A1 ASN 263 H -0.15 0.11 -0.15 -0.55 8.53 7.80 2ch1A1 ASN 263 HA 0.00 0.16 0.41 -0.75 4.76 4.58 2ch1A1 ASN 263 HB2 0.01 -0.08 0.05 -0.04 2.88 2.82 2ch1A1 ASN 263 HB3 0.08 0.14 0.14 -0.04 2.79 3.10 2ch1A1 ASN 263 HD21 0.13 -0.07 -0.02 -0.04 7.03 7.03 2ch1A1 ASN 263 HD22 0.19 0.52 0.08 -0.04 7.74 8.49 2ch1A1 LEU 264 H -0.05 0.07 -0.27 -0.55 8.37 7.58 2ch1A1 LEU 264 HA 0.03 0.10 0.48 -0.75 4.35 4.20 2ch1A1 LEU 264 HB2 0.03 0.06 0.05 -0.04 1.64 1.74 2ch1A1 LEU 264 HB3 0.05 -0.00 -0.08 -0.04 1.64 1.57 2ch1A1 LEU 264 HG 0.03 -0.09 -0.03 -0.04 1.64 1.52 2ch1A1 LEU 264 HD13 0.07 -0.03 -0.15 -0.04 0.93 0.77 2ch1A1 LEU 264 HD23 0.04 0.04 -0.13 -0.04 0.89 0.80 2ch1A1 ILE 265 H -0.13 0.55 -0.17 -0.55 8.25 7.95 2ch1A1 ILE 265 HA 0.06 -0.01 0.45 -0.75 4.18 3.93 2ch1A1 ILE 265 HB -0.28 0.11 0.09 -0.04 1.89 1.78 2ch1A1 ILE 265 HG12 0.22 -0.02 -0.08 -0.04 1.49 1.56 2ch1A1 ILE 265 HG13 0.03 0.12 -0.10 -0.04 1.21 1.23 2ch1A1 ILE 265 HG23 0.03 -0.01 -0.18 -0.04 0.93 0.73 2ch1A1 ILE 265 HD13 -0.04 -0.02 -0.18 -0.04 0.88 0.60 2ch1A1 PHE 266 H -0.40 0.65 -0.06 -0.55 8.34 7.98 2ch1A1 PHE 266 HA 0.03 -0.01 0.38 -0.75 4.62 4.25 2ch1A1 PHE 266 HB2 0.02 0.16 -0.09 -0.04 3.15 3.21 2ch1A1 PHE 266 HB3 0.02 -0.05 -0.02 -0.04 3.06 2.97 2ch1A1 PHE 266 HD2 0.01 0.04 -0.02 -0.04 7.28 7.27 2ch1A1 PHE 266 HE2 -0.00 0.04 -0.23 -0.04 7.38 7.15 2ch1A1 PHE 266 HZ -0.00 -0.02 -0.04 -0.04 7.32 7.22 2ch1A1 ALA 267 H 0.12 0.34 -0.42 -0.55 8.40 7.89 2ch1A1 ALA 267 HA 0.10 0.07 0.53 -0.75 4.34 4.28 2ch1A1 ALA 267 HB3 0.07 0.03 0.11 -0.04 1.41 1.57 2ch1A1 LEU 268 H 0.07 0.61 -0.00 -0.55 8.37 8.50 2ch1A1 LEU 268 HA 0.04 0.01 0.49 -0.75 4.35 4.13 2ch1A1 LEU 268 HB2 0.05 0.06 0.10 -0.04 1.64 1.82 2ch1A1 LEU 268 HB3 0.08 0.07 0.15 -0.04 1.64 1.90 2ch1A1 LEU 268 HG 0.04 -0.00 -0.20 -0.04 1.64 1.44 2ch1A1 LEU 268 HD13 -0.01 -0.02 -0.00 -0.04 0.93 0.86 2ch1A1 LEU 268 HD23 0.05 -0.01 -0.12 -0.04 0.89 0.77 2ch1A1 ARG 269 H 0.10 0.68 -0.16 -0.55 8.46 8.52 2ch1A1 ARG 269 HA 0.07 -0.01 0.37 -0.75 4.34 4.02 2ch1A1 ARG 269 HB2 0.12 0.11 0.11 -0.04 1.90 2.19 2ch1A1 ARG 269 HB3 0.12 0.15 0.12 -0.04 1.80 2.15 2ch1A1 ARG 269 HG2 0.07 -0.05 -0.03 -0.04 1.67 1.62 2ch1A1 ARG 269 HG3 0.09 -0.02 0.03 -0.04 1.67 1.73 2ch1A1 ARG 269 HD2 0.06 0.05 -0.12 -0.04 3.22 3.17 2ch1A1 ARG 269 HD3 0.04 -0.07 -0.43 -0.04 3.22 2.72 2ch1A1 GLU 270 H 0.07 0.46 -0.24 -0.55 8.60 8.35 2ch1A1 GLU 270 HA 0.03 -0.02 0.45 -0.75 4.29 4.00 2ch1A1 GLU 270 HB2 0.05 0.16 0.16 -0.04 2.09 2.42 2ch1A1 GLU 270 HB3 0.03 -0.13 -0.06 -0.04 1.99 1.79 2ch1A1 GLU 270 HG2 0.06 0.16 0.11 -0.04 2.34 2.64 2ch1A1 GLU 270 HG3 0.04 0.02 0.02 -0.04 2.34 2.37 2ch1A1 ALA 271 H 0.03 0.52 -0.12 -0.55 8.40 8.29 2ch1A1 ALA 271 HA 0.01 0.01 0.57 -0.75 4.34 4.18 2ch1A1 ALA 271 HB3 0.01 0.06 0.04 -0.04 1.41 1.48 2ch1A1 LEU 272 H 0.02 0.69 -0.09 -0.55 8.37 8.45 2ch1A1 LEU 272 HA 0.01 0.02 0.47 -0.75 4.35 4.09 2ch1A1 LEU 272 HB2 0.03 0.13 0.18 -0.04 1.64 1.94 2ch1A1 LEU 272 HB3 0.02 -0.09 0.06 -0.04 1.64 1.60 2ch1A1 LEU 272 HG -0.01 0.11 -0.01 -0.04 1.64 1.70 2ch1A1 LEU 272 HD13 0.01 -0.02 -0.08 -0.04 0.93 0.80 2ch1A1 LEU 272 HD23 -0.06 -0.01 -0.15 -0.04 0.89 0.62 2ch1A1 ALA 273 H 0.02 0.65 -0.01 -0.55 8.40 8.52 2ch1A1 ALA 273 HA -0.01 -0.02 0.40 -0.75 4.34 3.96 2ch1A1 ALA 273 HB3 0.00 0.02 0.10 -0.04 1.41 1.49 2ch1A1 GLN 274 H 0.01 0.50 -0.29 -0.55 8.47 8.15 2ch1A1 GLN 274 HA 0.00 -0.02 0.41 -0.75 4.36 4.00 2ch1A1 GLN 274 HB2 0.01 0.23 0.20 -0.04 2.15 2.55 2ch1A1 GLN 274 HB3 0.01 -0.04 0.00 -0.04 2.02 1.95 2ch1A1 GLN 274 HG2 0.01 -0.08 0.06 -0.04 2.40 2.34 2ch1A1 GLN 274 HG3 0.01 0.18 0.12 -0.04 2.39 2.66 2ch1A1 GLN 274 HE21 0.01 -0.13 0.09 -0.04 6.97 6.89 2ch1A1 GLN 274 HE22 0.01 0.18 0.11 -0.04 7.69 7.95 2ch1A1 ILE 275 H 0.02 0.46 -0.15 -0.55 8.25 8.03 2ch1A1 ILE 275 HA 0.03 0.07 0.58 -0.75 4.18 4.10 2ch1A1 ILE 275 HB 0.01 0.04 0.06 -0.04 1.89 1.96 2ch1A1 ILE 275 HG12 0.06 -0.00 -0.10 -0.04 1.49 1.41 2ch1A1 ILE 275 HG13 0.12 -0.13 -0.22 -0.04 1.21 0.94 2ch1A1 ILE 275 HG23 0.02 0.12 0.14 -0.04 0.93 1.18 2ch1A1 ILE 275 HD13 -0.03 -0.01 -0.01 -0.04 0.88 0.79 2ch1A1 ALA 276 H 0.04 0.70 0.02 -0.55 8.40 8.61 2ch1A1 ALA 276 HA -0.06 -0.05 0.56 -0.75 4.34 4.03 2ch1A1 ALA 276 HB3 -0.12 0.02 0.11 -0.04 1.41 1.38 2ch1A1 GLU 277 H -0.01 0.62 -0.14 -0.55 8.60 8.52 2ch1A1 GLU 277 HA -0.03 0.01 0.37 -0.75 4.29 3.89 2ch1A1 GLU 277 HB2 -0.00 0.12 0.14 -0.04 2.09 2.29 2ch1A1 GLU 277 HB3 -0.01 -0.06 -0.03 -0.04 1.99 1.85 2ch1A1 GLU 277 HG2 -0.02 -0.06 0.03 -0.04 2.34 2.24 2ch1A1 GLU 277 HG3 -0.02 0.00 0.04 -0.04 2.34 2.32 2ch1A1 GLU 278 H 0.02 0.32 -0.20 -0.55 8.60 8.19 2ch1A1 GLU 278 HA 0.01 0.06 0.74 -0.75 4.29 4.35 2ch1A1 GLU 278 HB2 0.01 -0.03 0.10 -0.04 2.09 2.13 2ch1A1 GLU 278 HB3 0.02 0.06 0.14 -0.04 1.99 2.17 2ch1A1 GLU 278 HG2 0.02 0.04 -0.18 -0.04 2.34 2.17 2ch1A1 GLU 278 HG3 0.01 -0.06 0.07 -0.04 2.34 2.32 2ch1A1 GLY 279 H 0.06 0.51 -0.17 -0.55 8.43 8.29 2ch1A1 GLY 279 HA2 0.18 0.02 0.43 -0.51 4.01 4.13 2ch1A1 GLY 279 HA3 0.08 0.05 0.68 -0.51 4.01 4.31 2ch1A1 LEU 280 H 0.27 0.17 0.13 -0.55 8.37 8.40 2ch1A1 LEU 280 HA -0.03 0.11 0.43 -0.75 4.35 4.11 2ch1A1 LEU 280 HB2 -0.11 -0.03 0.19 -0.04 1.64 1.65 2ch1A1 LEU 280 HB3 -0.13 0.01 -0.01 -0.04 1.64 1.47 2ch1A1 LEU 280 HG -0.58 0.01 0.03 -0.04 1.64 1.06 2ch1A1 LEU 280 HD13 -0.53 0.03 0.08 -0.04 0.93 0.46 2ch1A1 LEU 280 HD23 -0.19 -0.00 0.07 -0.04 0.89 0.73 2ch1A1 GLU 281 H 0.03 0.12 -0.05 -0.55 8.60 8.16 2ch1A1 GLU 281 HA 0.01 0.04 0.33 -0.75 4.29 3.91 2ch1A1 GLU 281 HB2 0.04 0.01 0.11 -0.04 2.09 2.20 2ch1A1 GLU 281 HB3 0.04 0.01 0.09 -0.04 1.99 2.08 2ch1A1 GLU 281 HG2 0.03 0.04 -0.21 -0.04 2.34 2.15 2ch1A1 GLU 281 HG3 0.03 -0.02 -0.01 -0.04 2.34 2.30 2ch1A1 ASN 282 H 0.03 0.17 -0.27 -0.55 8.53 7.92 2ch1A1 ASN 282 HA 0.01 -0.01 0.45 -0.75 4.76 4.47 2ch1A1 ASN 282 HB2 0.02 0.28 0.02 -0.04 2.88 3.17 2ch1A1 ASN 282 HB3 0.01 -0.04 0.03 -0.04 2.79 2.75 2ch1A1 ASN 282 HD21 0.02 -0.09 0.06 -0.04 7.03 6.99 2ch1A1 ASN 282 HD22 0.03 0.39 0.19 -0.04 7.74 8.30 2ch1A1 GLN 283 H 0.01 0.46 -0.17 -0.55 8.47 8.22 2ch1A1 GLN 283 HA -0.00 0.03 0.53 -0.75 4.36 4.16 2ch1A1 GLN 283 HB2 -0.01 0.05 0.19 -0.04 2.15 2.34 2ch1A1 GLN 283 HB3 -0.02 0.08 0.03 -0.04 2.02 2.08 2ch1A1 GLN 283 HG2 0.00 -0.07 -0.02 -0.04 2.40 2.28 2ch1A1 GLN 283 HG3 0.02 0.09 -0.05 -0.04 2.39 2.40 2ch1A1 GLN 283 HE21 0.00 -0.00 -0.09 -0.04 6.97 6.84 2ch1A1 GLN 283 HE22 0.01 -0.00 -0.03 -0.04 7.69 7.63 2ch1A1 ILE 284 H -0.01 0.56 0.01 -0.55 8.25 8.26 2ch1A1 ILE 284 HA -0.01 0.16 0.38 -0.75 4.18 3.96 2ch1A1 ILE 284 HB -0.00 0.04 0.02 -0.04 1.89 1.91 2ch1A1 ILE 284 HG12 -0.02 -0.07 -0.65 -0.04 1.49 0.71 2ch1A1 ILE 284 HG13 -0.04 0.11 -0.15 -0.04 1.21 1.09 2ch1A1 ILE 284 HG23 0.02 0.02 -0.24 -0.04 0.93 0.69 2ch1A1 ILE 284 HD13 -0.06 -0.06 -0.34 -0.04 0.88 0.39 2ch1A1 LYS 285 H 0.00 0.61 -0.12 -0.55 8.42 8.35 2ch1A1 LYS 285 HA 0.01 -0.00 0.44 -0.75 4.32 4.01 2ch1A1 LYS 285 HB2 0.01 0.10 0.13 -0.04 1.87 2.06 2ch1A1 LYS 285 HB3 0.01 -0.07 0.02 -0.04 1.79 1.71 2ch1A1 LYS 285 HG2 0.02 -0.05 0.03 -0.04 1.46 1.42 2ch1A1 LYS 285 HG3 0.02 0.13 0.06 -0.04 1.46 1.63 2ch1A1 LYS 285 HD2 0.01 -0.00 -0.07 -0.04 1.69 1.59 2ch1A1 LYS 285 HD3 0.01 -0.03 -0.01 -0.04 1.68 1.62 2ch1A1 LYS 285 HE2 0.02 -0.01 -0.01 -0.04 2.99 2.95 2ch1A1 LYS 285 HE3 0.03 -0.02 -0.04 -0.04 2.99 2.92 2ch1A1 ARG 286 H -0.01 0.50 -0.23 -0.55 8.46 8.17 2ch1A1 ARG 286 HA -0.01 -0.07 0.53 -0.75 4.34 4.03 2ch1A1 ARG 286 HB2 -0.01 0.03 0.20 -0.04 1.90 2.09 2ch1A1 ARG 286 HB3 -0.01 0.19 0.25 -0.04 1.80 2.18 2ch1A1 ARG 286 HG2 -0.01 0.22 -0.00 -0.04 1.67 1.83 2ch1A1 ARG 286 HG3 -0.01 -0.19 0.13 -0.04 1.67 1.55 2ch1A1 ARG 286 HD2 -0.01 -0.03 0.10 -0.04 3.22 3.24 2ch1A1 ARG 286 HD3 -0.00 -0.09 0.07 -0.04 3.22 3.15 2ch1A1 ARG 287 H -0.02 0.55 -0.12 -0.55 8.46 8.31 2ch1A1 ARG 287 HA -0.04 -0.01 0.46 -0.75 4.34 4.00 2ch1A1 ARG 287 HB2 -0.02 0.15 0.23 -0.04 1.90 2.22 2ch1A1 ARG 287 HB3 -0.03 -0.04 0.06 -0.04 1.80 1.75 2ch1A1 ARG 287 HG2 -0.03 -0.12 -0.01 -0.04 1.67 1.47 2ch1A1 ARG 287 HG3 -0.02 0.30 0.12 -0.04 1.67 2.03 2ch1A1 ARG 287 HD2 -0.03 0.10 0.05 -0.04 3.22 3.30 2ch1A1 ARG 287 HD3 -0.03 0.10 0.05 -0.04 3.22 3.30 2ch1A1 ILE 288 H -0.02 0.60 -0.01 -0.55 8.25 8.27 2ch1A1 ILE 288 HA -0.04 0.04 0.60 -0.75 4.18 4.02 2ch1A1 ILE 288 HB -0.00 0.05 0.19 -0.04 1.89 2.08 2ch1A1 ILE 288 HG12 0.02 -0.04 0.10 -0.04 1.49 1.52 2ch1A1 ILE 288 HG13 0.00 0.16 0.13 -0.04 1.21 1.47 2ch1A1 ILE 288 HG23 0.01 -0.03 -0.06 -0.04 0.93 0.81 2ch1A1 ILE 288 HD13 0.03 -0.04 -0.03 -0.04 0.88 0.80 2ch1A1 GLU 289 H -0.03 0.58 -0.14 -0.55 8.60 8.47 2ch1A1 GLU 289 HA -0.04 -0.01 0.41 -0.75 4.29 3.90 2ch1A1 GLU 289 HB2 -0.03 0.05 0.04 -0.04 2.09 2.11 2ch1A1 GLU 289 HB3 -0.02 -0.09 0.05 -0.04 1.99 1.88 2ch1A1 GLU 289 HG2 -0.01 -0.09 0.06 -0.04 2.34 2.26 2ch1A1 GLU 289 HG3 -0.01 0.56 0.22 -0.04 2.34 3.07 2ch1A1 CYS 290 H -0.06 0.59 -0.15 -0.55 8.50 8.33 2ch1A1 CYS 290 HA -0.07 -0.09 0.37 -0.75 4.58 4.04 2ch1A1 CYS 290 HB2 -0.07 0.20 0.12 -0.04 2.97 3.18 2ch1A1 CYS 290 HB3 -0.08 -0.02 -0.08 -0.04 2.97 2.75 2ch1A1 ALA 291 H -0.15 0.59 -0.18 -0.55 8.40 8.10 2ch1A1 ALA 291 HA -0.39 0.04 0.50 -0.75 4.34 3.74 2ch1A1 ALA 291 HB3 -0.36 0.06 0.14 -0.04 1.41 1.22 2ch1A1 GLN 292 H -0.24 0.51 -0.06 -0.55 8.47 8.14 2ch1A1 GLN 292 HA -0.17 -0.02 0.46 -0.75 4.36 3.87 2ch1A1 GLN 292 HB2 -0.07 0.19 0.23 -0.04 2.15 2.46 2ch1A1 GLN 292 HB3 -0.02 -0.08 0.01 -0.04 2.02 1.89 2ch1A1 GLN 292 HG2 -0.04 0.20 0.11 -0.04 2.40 2.63 2ch1A1 GLN 292 HG3 -0.00 -0.06 0.04 -0.04 2.39 2.32 2ch1A1 GLN 292 HE21 0.20 -0.02 -0.00 -0.04 6.97 7.11 2ch1A1 GLN 292 HE22 0.08 0.06 0.01 -0.04 7.69 7.81 2ch1A1 ILE 293 H -0.10 0.62 -0.08 -0.55 8.25 8.14 2ch1A1 ILE 293 HA -0.03 -0.04 0.45 -0.75 4.18 3.81 2ch1A1 ILE 293 HB -0.06 0.15 0.14 -0.04 1.89 2.08 2ch1A1 ILE 293 HG12 -0.02 -0.06 0.03 -0.04 1.49 1.41 2ch1A1 ILE 293 HG13 -0.04 0.18 0.07 -0.04 1.21 1.38 2ch1A1 ILE 293 HG23 -0.01 -0.02 -0.07 -0.04 0.93 0.79 2ch1A1 ILE 293 HD13 -0.02 -0.03 -0.02 -0.04 0.88 0.77 2ch1A1 LEU 294 H -0.17 0.56 -0.20 -0.55 8.37 8.01 2ch1A1 LEU 294 HA -0.04 -0.04 0.38 -0.75 4.35 3.91 2ch1A1 LEU 294 HB2 -0.17 0.13 0.17 -0.04 1.64 1.74 2ch1A1 LEU 294 HB3 -0.24 0.14 0.16 -0.04 1.64 1.66 2ch1A1 LEU 294 HG -0.16 -0.00 -0.03 -0.04 1.64 1.41 2ch1A1 LEU 294 HD13 -0.04 0.00 -0.11 -0.04 0.93 0.74 2ch1A1 LEU 294 HD23 -0.09 -0.03 -0.05 -0.04 0.89 0.69 2ch1A1 TYR 295 H -0.24 0.78 0.05 -0.55 8.29 8.33 2ch1A1 TYR 295 HA -0.01 0.01 0.42 -0.75 4.56 4.24 2ch1A1 TYR 295 HB2 -0.00 0.06 0.16 -0.04 3.06 3.24 2ch1A1 TYR 295 HB3 0.00 -0.05 0.04 -0.04 2.98 2.93 2ch1A1 TYR 295 HD2 -0.01 -0.07 -0.06 -0.04 7.15 6.98 2ch1A1 TYR 295 HE2 -0.01 -0.01 -0.07 -0.04 6.85 6.73 2ch1A1 GLU 296 H 0.08 0.65 -0.10 -0.55 8.60 8.69 2ch1A1 GLU 296 HA 0.07 -0.02 0.40 -0.75 4.29 3.98 2ch1A1 GLU 296 HB2 0.03 0.15 0.20 -0.04 2.09 2.42 2ch1A1 GLU 296 HB3 0.03 -0.07 0.00 -0.04 1.99 1.92 2ch1A1 GLU 296 HG2 0.04 -0.06 0.04 -0.04 2.34 2.32 2ch1A1 GLU 296 HG3 0.06 0.06 0.07 -0.04 2.34 2.49 2ch1A1 GLY 297 H 0.03 0.59 -0.07 -0.55 8.43 8.44 2ch1A1 GLY 297 HA2 0.04 -0.04 0.38 -0.51 4.01 3.88 2ch1A1 GLY 297 HA3 0.03 0.06 0.31 -0.51 4.01 3.90 2ch1A1 LEU 298 H 0.06 0.55 -0.20 -0.55 8.37 8.23 2ch1A1 LEU 298 HA 0.05 0.01 0.50 -0.75 4.35 4.16 2ch1A1 LEU 298 HB2 0.08 0.11 0.12 -0.04 1.64 1.91 2ch1A1 LEU 298 HB3 0.05 0.00 -0.07 -0.04 1.64 1.57 2ch1A1 LEU 298 HG 0.01 0.16 -0.01 -0.04 1.64 1.76 2ch1A1 LEU 298 HD13 0.05 -0.02 -0.18 -0.04 0.93 0.75 2ch1A1 LEU 298 HD23 -0.15 -0.02 -0.07 -0.04 0.89 0.60 2ch1A1 GLY 299 H 0.07 0.63 -0.01 -0.55 8.43 8.58 2ch1A1 GLY 299 HA2 0.06 0.04 0.51 -0.51 4.01 4.12 2ch1A1 GLY 299 HA3 0.06 0.05 0.36 -0.51 4.01 3.97 2ch1A1 LYS 300 H 0.06 0.53 -0.07 -0.55 8.42 8.39 2ch1A1 LYS 300 HA 0.07 -0.00 0.34 -0.75 4.32 3.97 2ch1A1 LYS 300 HB2 0.05 0.13 0.10 -0.04 1.87 2.12 2ch1A1 LYS 300 HB3 0.05 -0.07 0.07 -0.04 1.79 1.80 2ch1A1 LYS 300 HG2 0.04 -0.06 0.04 -0.04 1.46 1.44 2ch1A1 LYS 300 HG3 0.04 0.19 0.07 -0.04 1.46 1.72 2ch1A1 LYS 300 HD2 0.03 0.00 -0.03 -0.04 1.69 1.65 2ch1A1 LYS 300 HD3 0.03 -0.04 0.00 -0.04 1.68 1.63 2ch1A1 LYS 300 HE2 0.02 -0.04 -0.01 -0.04 2.99 2.92 2ch1A1 LYS 300 HE3 0.03 0.03 -0.04 -0.04 2.99 2.97 2ch1A1 MET 301 H 0.13 0.27 -0.62 -0.55 8.47 7.71 2ch1A1 MET 301 HA 0.37 0.02 0.66 -0.75 4.52 4.82 2ch1A1 MET 301 HB2 0.20 0.12 0.15 -0.04 2.15 2.58 2ch1A1 MET 301 HB3 0.44 -0.06 0.07 -0.04 2.03 2.43 2ch1A1 MET 301 HG2 0.16 -0.07 0.00 -0.04 2.63 2.68 2ch1A1 MET 301 HG3 0.11 0.15 0.01 -0.04 2.56 2.78 2ch1A1 MET 301 HE3 0.04 0.01 -0.09 -0.04 2.10 2.01 2ch1A1 GLY 302 H 0.14 0.41 -0.21 -0.55 8.43 8.22 2ch1A1 GLY 302 HA2 0.09 0.00 0.32 -0.51 4.01 3.91 2ch1A1 GLY 302 HA3 0.12 0.12 0.64 -0.51 4.01 4.38 2ch1A1 LEU 303 H 0.13 0.51 0.11 -0.55 8.37 8.57 2ch1A1 LEU 303 HA 0.15 0.10 0.68 -0.75 4.35 4.52 2ch1A1 LEU 303 HB2 0.10 0.01 0.05 -0.04 1.64 1.75 2ch1A1 LEU 303 HB3 0.13 0.03 -0.03 -0.04 1.64 1.73 2ch1A1 LEU 303 HG 0.22 0.04 -0.31 -0.04 1.64 1.55 2ch1A1 LEU 303 HD13 0.15 -0.02 -0.05 -0.04 0.93 0.97 2ch1A1 LEU 303 HD23 0.15 0.01 -0.07 -0.04 0.89 0.95 2ch1A1 ASP 304 H 0.11 0.16 0.16 -0.55 8.40 8.27 2ch1A1 ASP 304 HA 0.04 0.16 0.72 -0.75 4.63 4.80 2ch1A1 ASP 304 HB2 0.06 -0.01 0.06 -0.04 2.71 2.77 2ch1A1 ASP 304 HB3 0.02 0.04 -0.01 -0.04 2.70 2.71 2ch1A1 ILE 305 H -0.00 0.20 0.13 -0.55 8.25 8.03 2ch1A1 ILE 305 HA 0.07 0.38 0.92 -0.75 4.18 4.80 2ch1A1 ILE 305 HB -0.08 0.01 0.06 -0.04 1.89 1.84 2ch1A1 ILE 305 HG12 0.03 0.03 -0.13 -0.04 1.49 1.37 2ch1A1 ILE 305 HG13 0.01 -0.02 -0.31 -0.04 1.21 0.85 2ch1A1 ILE 305 HG23 -0.05 -0.01 -0.05 -0.04 0.93 0.77 2ch1A1 ILE 305 HD13 -0.15 -0.00 -0.02 -0.04 0.88 0.66 2ch1A1 PHE 306 H 0.19 0.58 0.22 -0.55 8.34 8.79 2ch1A1 PHE 306 HA -0.01 0.01 0.27 -0.75 4.62 4.13 2ch1A1 PHE 306 HB2 -0.01 -0.02 0.01 -0.04 3.15 3.09 2ch1A1 PHE 306 HB3 -0.00 0.05 0.18 -0.04 3.06 3.24 2ch1A1 PHE 306 HD2 -0.02 0.05 -0.16 -0.04 7.28 7.12 2ch1A1 PHE 306 HE2 -0.03 0.06 -0.19 -0.04 7.38 7.18 2ch1A1 PHE 306 HZ -0.03 -0.08 -0.09 -0.04 7.32 7.09 2ch1A1 VAL 307 H 0.16 0.12 -0.08 -0.55 8.24 7.89 2ch1A1 VAL 307 HA -0.09 0.07 0.83 -0.75 4.13 4.19 2ch1A1 VAL 307 HB 0.06 0.04 0.02 -0.04 2.12 2.20 2ch1A1 VAL 307 HG13 0.05 0.06 -0.24 -0.04 0.97 0.79 2ch1A1 VAL 307 HG23 0.19 0.00 -0.27 -0.04 0.95 0.83 2ch1A1 LYS 308 H -0.10 0.12 0.12 -0.55 8.42 8.00 2ch1A1 LYS 308 HA -0.08 0.15 0.23 -0.75 4.32 3.86 2ch1A1 LYS 308 HB2 -0.10 0.10 0.10 -0.04 1.87 1.93 2ch1A1 LYS 308 HB3 -0.07 -0.10 0.14 -0.04 1.79 1.72 2ch1A1 LYS 308 HG2 -0.06 -0.06 -0.04 -0.04 1.46 1.26 2ch1A1 LYS 308 HG3 -0.06 0.01 0.03 -0.04 1.46 1.40 2ch1A1 LYS 308 HD2 -0.07 -0.01 0.02 -0.04 1.69 1.59 2ch1A1 LYS 308 HD3 -0.04 -0.04 0.01 -0.04 1.68 1.57 2ch1A1 LYS 308 HE2 -0.05 -0.00 0.05 -0.04 2.99 2.94 2ch1A1 LYS 308 HE3 -0.07 0.14 0.01 -0.04 2.99 3.02 2ch1A1 ASP 309 H -0.03 0.07 0.03 -0.55 8.40 7.92 2ch1A1 ASP 309 HA -0.10 0.15 0.59 -0.75 4.63 4.51 2ch1A1 ASP 309 HB2 -0.06 0.03 0.14 -0.04 2.71 2.77 2ch1A1 ASP 309 HB3 -0.11 0.01 0.16 -0.04 2.70 2.72 2ch1A1 PRO 310 HA -0.13 0.15 0.39 -0.51 4.44 4.33 2ch1A1 PRO 310 HB2 -0.05 -0.03 0.02 -0.04 2.28 2.19 2ch1A1 PRO 310 HB3 -0.06 0.05 0.10 -0.04 2.02 2.08 2ch1A1 PRO 310 HG2 -0.06 -0.00 0.12 -0.04 2.03 2.04 2ch1A1 PRO 310 HG3 -0.13 0.13 0.13 -0.04 2.03 2.13 2ch1A1 PRO 310 HD2 -0.09 -0.02 0.26 -0.04 3.68 3.79 2ch1A1 PRO 310 HD3 -0.10 0.42 0.46 -0.04 3.65 4.39 2ch1A1 ARG 311 H -0.16 0.06 -0.27 -0.55 8.46 7.54 2ch1A1 ARG 311 HA -0.06 0.08 0.41 -0.75 4.34 4.02 2ch1A1 ARG 311 HB2 -0.18 -0.04 0.09 -0.04 1.90 1.73 2ch1A1 ARG 311 HB3 -0.51 0.01 -0.04 -0.04 1.80 1.23 2ch1A1 ARG 311 HG2 -0.09 0.02 -0.00 -0.04 1.67 1.56 2ch1A1 ARG 311 HG3 -0.06 0.01 0.08 -0.04 1.67 1.66 2ch1A1 ARG 311 HD2 -0.14 -0.01 0.00 -0.04 3.22 3.04 2ch1A1 ARG 311 HD3 -0.05 -0.02 0.01 -0.04 3.22 3.13 2ch1A1 HIS 312 H -0.08 0.46 -0.44 -0.55 8.41 7.80 2ch1A1 HIS 312 HA -0.00 0.18 0.69 -0.75 4.63 4.75 2ch1A1 HIS 312 HB2 -0.03 0.13 0.07 -0.04 3.26 3.39 2ch1A1 HIS 312 HB3 -0.02 -0.06 0.13 -0.04 3.20 3.22 2ch1A1 HIS 312 HD2 -0.01 0.12 -0.12 -0.04 6.97 6.90 2ch1A1 HIS 312 HE1 -0.04 -0.03 0.03 -0.04 7.75 7.67 2ch1A1 ARG 313 H 0.04 0.31 -0.21 -0.55 8.46 8.05 2ch1A1 ARG 313 HA 0.07 0.18 0.45 -0.75 4.34 4.29 2ch1A1 ARG 313 HB2 0.07 0.05 0.08 -0.04 1.90 2.06 2ch1A1 ARG 313 HB3 0.11 0.07 -0.10 -0.04 1.80 1.84 2ch1A1 ARG 313 HG2 -0.03 0.02 -0.05 -0.04 1.67 1.57 2ch1A1 ARG 313 HG3 -0.06 -0.00 -0.09 -0.04 1.67 1.48 2ch1A1 ARG 313 HD2 -0.42 -0.07 -0.00 -0.04 3.22 2.68 2ch1A1 ARG 313 HD3 -0.42 -0.01 -0.04 -0.04 3.22 2.72 2ch1A1 LEU 314 H 0.06 0.63 0.11 -0.55 8.37 8.63 2ch1A1 LEU 314 HA 0.02 0.12 0.68 -0.75 4.35 4.41 2ch1A1 LEU 314 HB2 -0.00 -0.02 -0.29 -0.04 1.64 1.29 2ch1A1 LEU 314 HB3 0.04 0.05 -0.09 -0.04 1.64 1.60 2ch1A1 LEU 314 HG 0.00 -0.20 -0.26 -0.04 1.64 1.15 2ch1A1 LEU 314 HD13 -0.07 0.06 -0.09 -0.04 0.93 0.79 2ch1A1 LEU 314 HD23 0.00 -0.02 -0.29 -0.04 0.89 0.55 2ch1A1 PRO 315 HA 0.07 0.07 0.29 -0.51 4.44 4.36 2ch1A1 PRO 315 HB2 -0.01 0.08 -0.08 -0.04 2.28 2.23 2ch1A1 PRO 315 HB3 -0.02 0.01 0.04 -0.04 2.02 2.01 2ch1A1 PRO 315 HG2 0.02 0.16 0.06 -0.04 2.03 2.23 2ch1A1 PRO 315 HG3 0.04 0.03 0.07 -0.04 2.03 2.13 2ch1A1 PRO 315 HD2 0.01 0.00 0.13 -0.04 3.68 3.77 2ch1A1 PRO 315 HD3 0.05 0.35 0.24 -0.04 3.65 4.25 2ch1A1 THR 316 H -0.00 0.02 -0.33 -0.55 8.28 7.42 2ch1A1 THR 316 HA -0.03 0.14 0.39 -0.75 4.39 4.14 2ch1A1 THR 316 HB -0.02 0.00 0.08 -0.04 4.32 4.34 2ch1A1 THR 316 HG23 -0.03 0.02 0.05 -0.04 1.22 1.23 2ch1A1 VAL 317 H 0.02 0.26 -0.29 -0.55 8.24 7.68 2ch1A1 VAL 317 HA 0.01 0.41 0.85 -0.75 4.13 4.64 2ch1A1 VAL 317 HB 0.04 -0.13 -0.02 -0.04 2.12 1.97 2ch1A1 VAL 317 HG13 0.05 0.02 -0.26 -0.04 0.97 0.73 2ch1A1 VAL 317 HG23 0.03 -0.04 -0.23 -0.04 0.95 0.66 2ch1A1 THR 318 H 0.02 0.58 0.21 -0.55 8.28 8.54 2ch1A1 THR 318 HA 0.09 0.16 0.99 -0.75 4.39 4.88 2ch1A1 THR 318 HB 0.03 -0.05 0.03 -0.04 4.32 4.29 2ch1A1 THR 318 HG23 0.13 -0.01 -0.21 -0.04 1.22 1.09 2ch1A1 GLY 319 H 0.09 0.18 0.16 -0.55 8.43 8.31 2ch1A1 GLY 319 HA2 0.05 0.39 0.88 -0.51 4.01 4.83 2ch1A1 GLY 319 HA3 0.07 -0.02 0.34 -0.51 4.01 3.88 2ch1A1 ILE 320 H 0.17 0.55 0.16 -0.55 8.25 8.57 2ch1A1 ILE 320 HA 0.14 0.27 0.88 -0.75 4.18 4.71 2ch1A1 ILE 320 HB 0.46 -0.14 0.11 -0.04 1.89 2.28 2ch1A1 ILE 320 HG12 -0.02 0.04 -0.17 -0.04 1.49 1.30 2ch1A1 ILE 320 HG13 0.05 0.02 -0.17 -0.04 1.21 1.08 2ch1A1 ILE 320 HG23 0.11 0.04 -0.14 -0.04 0.93 0.91 2ch1A1 ILE 320 HD13 -0.37 -0.01 -0.11 -0.04 0.88 0.36 2ch1A1 MET 321 H 0.14 0.56 0.12 -0.55 8.47 8.75 2ch1A1 MET 321 HA 0.05 0.11 0.49 -0.75 4.52 4.41 2ch1A1 MET 321 HB2 0.09 -0.10 0.02 -0.04 2.15 2.11 2ch1A1 MET 321 HB3 0.05 0.09 0.00 -0.04 2.03 2.14 2ch1A1 MET 321 HG2 0.10 0.07 -0.46 -0.04 2.63 2.29 2ch1A1 MET 321 HG3 0.05 -0.04 -0.22 -0.04 2.56 2.31 2ch1A1 MET 321 HE3 0.09 0.04 -0.02 -0.04 2.10 2.16 2ch1A1 ILE 322 H -0.16 0.59 0.36 -0.55 8.25 8.50 2ch1A1 ILE 322 HA -0.17 0.04 0.56 -0.75 4.18 3.85 2ch1A1 ILE 322 HB -0.16 0.02 0.04 -0.04 1.89 1.75 2ch1A1 ILE 322 HG12 -0.38 0.34 -0.38 -0.04 1.49 1.03 2ch1A1 ILE 322 HG13 -0.35 0.05 -0.23 -0.04 1.21 0.63 2ch1A1 ILE 322 HG23 -0.25 0.03 -0.05 -0.04 0.93 0.62 2ch1A1 ILE 322 HD13 -1.26 -0.05 -0.21 -0.04 0.88 -0.68 2ch1A1 PRO 323 HA 0.08 0.10 0.61 -0.51 4.44 4.72 2ch1A1 PRO 323 HB2 0.13 -0.09 -0.03 -0.04 2.28 2.24 2ch1A1 PRO 323 HB3 0.24 0.07 0.12 -0.04 2.02 2.41 2ch1A1 PRO 323 HG2 -0.24 0.02 0.04 -0.04 2.03 1.81 2ch1A1 PRO 323 HG3 0.12 0.14 0.05 -0.04 2.03 2.30 2ch1A1 PRO 323 HD2 0.13 -0.02 0.16 -0.04 3.68 3.91 2ch1A1 PRO 323 HD3 0.38 0.26 0.27 -0.04 3.65 4.52 2ch1A1 LYS 324 H 0.06 0.13 0.15 -0.55 8.42 8.20 2ch1A1 LYS 324 HA 0.02 0.11 0.28 -0.75 4.32 3.98 2ch1A1 LYS 324 HB2 0.04 -0.04 0.19 -0.04 1.87 2.02 2ch1A1 LYS 324 HB3 0.03 0.02 0.00 -0.04 1.79 1.80 2ch1A1 LYS 324 HG2 0.01 0.00 0.05 -0.04 1.46 1.49 2ch1A1 LYS 324 HG3 0.02 0.03 0.10 -0.04 1.46 1.58 2ch1A1 LYS 324 HD2 0.02 0.00 0.08 -0.04 1.69 1.75 2ch1A1 LYS 324 HD3 0.01 -0.01 0.04 -0.04 1.68 1.67 2ch1A1 LYS 324 HE2 0.01 -0.02 0.03 -0.04 2.99 2.97 2ch1A1 LYS 324 HE3 0.01 0.03 0.05 -0.04 2.99 3.04 2ch1A1 GLY 325 H 0.06 0.07 -0.08 -0.55 8.43 7.93 2ch1A1 GLY 325 HA2 0.05 0.05 0.23 -0.51 4.01 3.83 2ch1A1 GLY 325 HA3 0.07 -0.03 0.31 -0.51 4.01 3.85 2ch1A1 VAL 326 H -0.01 0.56 -0.65 -0.55 8.24 7.59 2ch1A1 VAL 326 HA -0.31 0.04 0.10 -0.75 4.13 3.20 2ch1A1 VAL 326 HB -0.06 0.20 0.01 -0.04 2.12 2.23 2ch1A1 VAL 326 HG13 -0.18 -0.03 -0.26 -0.04 0.97 0.46 2ch1A1 VAL 326 HG23 -0.16 -0.03 -0.16 -0.04 0.95 0.56 2ch1A1 ASP 327 H 0.04 0.21 0.13 -0.55 8.40 8.23 2ch1A1 ASP 327 HA 0.05 0.15 0.83 -0.75 4.63 4.91 2ch1A1 ASP 327 HB2 0.15 0.13 0.13 -0.04 2.71 3.09 2ch1A1 ASP 327 HB3 0.31 0.04 0.25 -0.04 2.70 3.26 2ch1A1 TRP 328 H 0.14 0.31 0.08 -0.55 7.97 7.96 2ch1A1 TRP 328 HA 0.21 0.12 0.24 -0.75 4.62 4.44 2ch1A1 TRP 328 HB2 -1.05 0.05 -0.01 -0.04 3.23 2.18 2ch1A1 TRP 328 HB3 -0.61 0.14 0.03 -0.04 3.23 2.75 2ch1A1 TRP 328 HD1 -0.21 0.14 0.07 -0.04 7.22 7.18 2ch1A1 TRP 328 HE1 -0.19 0.02 0.05 -0.04 10.20 10.04 2ch1A1 TRP 328 HE3 0.28 0.04 -0.31 -0.04 7.59 7.56 2ch1A1 TRP 328 HZ2 0.01 0.02 0.04 -0.04 7.44 7.46 2ch1A1 TRP 328 HZ3 0.36 0.08 -0.01 -0.04 7.13 7.52 2ch1A1 TRP 328 HH2 0.31 0.02 0.04 -0.04 7.19 7.52 2ch1A1 TRP 329 H -0.72 0.10 -0.16 -0.55 7.97 6.64 2ch1A1 TRP 329 HA -0.61 0.12 0.46 -0.75 4.62 3.83 2ch1A1 TRP 329 HB2 -1.75 -0.00 0.08 -0.04 3.23 1.52 2ch1A1 TRP 329 HB3 -0.60 0.03 0.00 -0.04 3.23 2.62 2ch1A1 TRP 329 HD1 -0.80 -0.00 0.03 -0.04 7.22 6.40 2ch1A1 TRP 329 HE1 0.01 0.02 0.00 -0.04 10.20 10.19 2ch1A1 TRP 329 HE3 -0.18 0.00 -0.17 -0.04 7.59 7.20 2ch1A1 TRP 329 HZ2 -0.01 0.02 -0.00 -0.04 7.44 7.40 2ch1A1 TRP 329 HZ3 -0.07 0.03 -0.03 -0.04 7.13 7.02 2ch1A1 TRP 329 HH2 -0.03 0.02 -0.01 -0.04 7.19 7.13 2ch1A1 LYS 330 H 0.05 0.16 -0.23 -0.55 8.42 7.84 2ch1A1 LYS 330 HA -0.13 0.05 0.53 -0.75 4.32 4.01 2ch1A1 LYS 330 HB2 0.09 -0.08 0.13 -0.04 1.87 1.97 2ch1A1 LYS 330 HB3 0.17 0.13 0.09 -0.04 1.79 2.14 2ch1A1 LYS 330 HG2 -0.03 0.03 0.01 -0.04 1.46 1.43 2ch1A1 LYS 330 HG3 0.01 -0.05 0.08 -0.04 1.46 1.45 2ch1A1 LYS 330 HD2 -0.05 -0.07 0.07 -0.04 1.69 1.60 2ch1A1 LYS 330 HD3 -0.23 0.11 0.06 -0.04 1.68 1.58 2ch1A1 LYS 330 HE2 -0.11 0.02 0.07 -0.04 2.99 2.94 2ch1A1 LYS 330 HE3 -0.05 -0.08 0.05 -0.04 2.99 2.87 2ch1A1 VAL 331 H 0.17 0.33 -0.18 -0.55 8.24 8.01 2ch1A1 VAL 331 HA -0.03 0.13 0.35 -0.75 4.13 3.83 2ch1A1 VAL 331 HB 0.43 0.14 0.12 -0.04 2.12 2.76 2ch1A1 VAL 331 HG13 -0.59 -0.01 -0.21 -0.04 0.97 0.12 2ch1A1 VAL 331 HG23 0.19 0.06 -0.04 -0.04 0.95 1.12 2ch1A1 SER 332 H 0.21 0.50 -0.02 -0.55 8.46 8.61 2ch1A1 SER 332 HA 0.06 0.03 0.34 -0.75 4.49 4.17 2ch1A1 SER 332 HB2 -0.19 -0.02 0.14 -0.04 3.95 3.83 2ch1A1 SER 332 HB3 0.17 -0.01 0.07 -0.04 3.93 4.12 2ch1A1 GLN 333 H -0.54 0.58 -0.16 -0.55 8.47 7.80 2ch1A1 GLN 333 HA -0.36 0.00 0.48 -0.75 4.36 3.73 2ch1A1 GLN 333 HB2 -0.70 0.10 0.17 -0.04 2.15 1.67 2ch1A1 GLN 333 HB3 -0.47 -0.04 0.03 -0.04 2.02 1.49 2ch1A1 GLN 333 HG2 -3.21 0.13 0.08 -0.04 2.40 -0.64 2ch1A1 GLN 333 HG3 -1.89 -0.04 0.02 -0.04 2.39 0.44 2ch1A1 GLN 333 HE21 0.12 -0.01 -0.03 -0.04 6.97 7.00 2ch1A1 GLN 333 HE22 -1.32 -0.00 -0.00 -0.04 7.69 6.33 2ch1A1 TYR 334 H -0.07 0.50 -0.11 -0.55 8.29 8.07 2ch1A1 TYR 334 HA -0.15 -0.02 0.49 -0.75 4.56 4.12 2ch1A1 TYR 334 HB2 -0.12 0.09 0.17 -0.04 3.06 3.16 2ch1A1 TYR 334 HB3 -0.11 0.15 0.17 -0.04 2.98 3.14 2ch1A1 TYR 334 HD2 -0.05 -0.00 -0.13 -0.04 7.15 6.92 2ch1A1 TYR 334 HE2 -0.03 -0.01 -0.09 -0.04 6.85 6.68 2ch1A1 ALA 335 H 0.03 0.57 -0.17 -0.55 8.40 8.29 2ch1A1 ALA 335 HA 0.28 0.01 0.40 -0.75 4.34 4.28 2ch1A1 ALA 335 HB3 -0.02 0.04 0.05 -0.04 1.41 1.44 2ch1A1 MET 336 H -0.05 0.44 -0.12 -0.55 8.47 8.19 2ch1A1 MET 336 HA 0.03 -0.10 0.49 -0.75 4.52 4.18 2ch1A1 MET 336 HB2 0.01 0.05 0.09 -0.04 2.15 2.25 2ch1A1 MET 336 HB3 -0.07 0.07 0.18 -0.04 2.03 2.16 2ch1A1 MET 336 HG2 0.02 -0.04 -0.06 -0.04 2.63 2.51 2ch1A1 MET 336 HG3 -0.01 0.02 -0.20 -0.04 2.56 2.33 2ch1A1 MET 336 HE3 0.08 0.03 -0.30 -0.04 2.10 1.87 2ch1A1 ASN 337 H -0.17 0.76 0.07 -0.55 8.53 8.65 2ch1A1 ASN 337 HA -0.13 -0.00 0.34 -0.75 4.76 4.22 2ch1A1 ASN 337 HB2 -0.31 0.07 0.15 -0.04 2.88 2.75 2ch1A1 ASN 337 HB3 -0.22 -0.05 0.06 -0.04 2.79 2.54 2ch1A1 ASN 337 HD21 -0.12 -0.08 -0.02 -0.04 7.03 6.76 2ch1A1 ASN 337 HD22 -0.16 -0.01 -0.08 -0.04 7.74 7.45 2ch1A1 ASN 338 H -0.38 0.38 -0.33 -0.55 8.53 7.64 2ch1A1 ASN 338 HA -0.46 0.15 0.87 -0.75 4.76 4.55 2ch1A1 ASN 338 HB2 -1.08 0.18 0.07 -0.04 2.88 2.01 2ch1A1 ASN 338 HB3 -1.22 -0.07 0.03 -0.04 2.79 1.50 2ch1A1 ASN 338 HD21 -1.17 -0.08 -0.02 -0.04 7.03 5.73 2ch1A1 ASN 338 HD22 -1.47 0.35 0.15 -0.04 7.74 6.73 2ch1A1 PHE 339 H -0.13 0.38 0.04 -0.55 8.34 8.08 2ch1A1 PHE 339 HA 0.13 0.22 1.05 -0.75 4.62 5.26 2ch1A1 PHE 339 HB2 -0.02 0.07 0.12 -0.04 3.15 3.27 2ch1A1 PHE 339 HB3 0.19 -0.06 0.14 -0.04 3.06 3.28 2ch1A1 PHE 339 HD2 0.06 0.02 0.02 -0.04 7.28 7.33 2ch1A1 PHE 339 HE2 0.08 -0.01 -0.10 -0.04 7.38 7.31 2ch1A1 PHE 339 HZ -0.06 -0.02 -0.09 -0.04 7.32 7.11 2ch1A1 SER 340 H 0.02 0.40 0.06 -0.55 8.46 8.40 2ch1A1 SER 340 HA 0.05 0.13 0.41 -0.75 4.49 4.33 2ch1A1 SER 340 HB2 0.11 0.13 0.16 -0.04 3.95 4.30 2ch1A1 SER 340 HB3 0.07 -0.06 0.30 -0.04 3.93 4.20 2ch1A1 LEU 341 H 0.15 0.39 -0.21 -0.55 8.37 8.16 2ch1A1 LEU 341 HA 0.18 0.12 0.84 -0.75 4.35 4.74 2ch1A1 LEU 341 HB2 0.21 0.07 -0.12 -0.04 1.64 1.76 2ch1A1 LEU 341 HB3 0.09 0.01 -0.07 -0.04 1.64 1.63 2ch1A1 LEU 341 HG -0.06 0.01 -0.38 -0.04 1.64 1.18 2ch1A1 LEU 341 HD13 0.26 0.01 -0.00 -0.04 0.93 1.16 2ch1A1 LEU 341 HD23 -0.47 0.01 -0.08 -0.04 0.89 0.31 2ch1A1 GLU 342 H 0.16 0.55 0.24 -0.55 8.60 9.01 2ch1A1 GLU 342 HA 0.14 0.08 0.54 -0.75 4.29 4.29 2ch1A1 GLU 342 HB2 0.13 0.03 -0.05 -0.04 2.09 2.15 2ch1A1 GLU 342 HB3 0.15 -0.14 0.31 -0.04 1.99 2.28 2ch1A1 GLU 342 HG2 0.13 -0.05 -0.06 -0.04 2.34 2.33 2ch1A1 GLU 342 HG3 0.18 0.00 -0.27 -0.04 2.34 2.20 2ch1A1 VAL 343 H 0.16 0.27 0.10 -0.55 8.24 8.21 2ch1A1 VAL 343 HA 0.31 0.22 0.85 -0.75 4.13 4.76 2ch1A1 VAL 343 HB 0.13 -0.06 0.15 -0.04 2.12 2.30 2ch1A1 VAL 343 HG13 0.08 0.01 -0.11 -0.04 0.97 0.91 2ch1A1 VAL 343 HG23 -0.11 0.03 -0.22 -0.04 0.95 0.61 2ch1A1 GLN 344 H 0.26 0.34 0.10 -0.55 8.47 8.63 2ch1A1 GLN 344 HA 0.29 -0.02 0.35 -0.75 4.36 4.22 2ch1A1 GLN 344 HB2 0.18 -0.09 0.09 -0.04 2.15 2.28 2ch1A1 GLN 344 HB3 0.16 0.25 0.26 -0.04 2.02 2.65 2ch1A1 GLN 344 HG2 0.12 -0.03 0.01 -0.04 2.40 2.46 2ch1A1 GLN 344 HG3 0.10 0.32 -0.03 -0.04 2.39 2.74 2ch1A1 GLN 344 HE21 0.16 -0.05 -0.02 -0.04 6.97 7.02 2ch1A1 GLN 344 HE22 0.14 0.06 -0.03 -0.04 7.69 7.82 2ch1A1 GLY 345 H 0.16 0.04 0.18 -0.55 8.43 8.26 2ch1A1 GLY 345 HA2 -0.58 0.14 0.72 -0.51 4.01 3.78 2ch1A1 GLY 345 HA3 -0.99 -0.06 0.43 -0.51 4.01 2.87 2ch1A1 GLY 346 H -0.76 -0.05 0.21 -0.55 8.43 7.28 2ch1A1 GLY 346 HA2 -0.19 0.17 0.33 -0.51 4.01 3.81 2ch1A1 GLY 346 HA3 -0.32 0.22 0.09 -0.51 4.01 3.49 2ch1A1 LEU 347 H -0.12 0.34 -0.01 -0.55 8.37 8.04 2ch1A1 LEU 347 HA 0.03 0.11 0.61 -0.75 4.35 4.34 2ch1A1 LEU 347 HB2 -0.02 0.15 -0.28 -0.04 1.64 1.45 2ch1A1 LEU 347 HB3 -0.11 -0.12 -0.04 -0.04 1.64 1.33 2ch1A1 LEU 347 HG 0.02 0.11 -0.06 -0.04 1.64 1.67 2ch1A1 LEU 347 HD13 -0.17 -0.03 -0.11 -0.04 0.93 0.58 2ch1A1 LEU 347 HD23 -0.12 -0.01 0.06 -0.04 0.89 0.78 2ch1A1 GLY 348 H -0.12 0.17 0.11 -0.55 8.43 8.05 2ch1A1 GLY 348 HA2 -0.14 0.09 0.35 -0.51 4.01 3.80 2ch1A1 GLY 348 HA3 -0.19 -0.05 0.40 -0.51 4.01 3.66 2ch1A1 PRO 349 HA -0.02 0.06 0.31 -0.51 4.44 4.28 2ch1A1 PRO 349 HB2 -0.34 0.14 -0.03 -0.04 2.28 2.01 2ch1A1 PRO 349 HB3 0.07 0.04 0.10 -0.04 2.02 2.19 2ch1A1 PRO 349 HG2 -0.08 0.01 0.07 -0.04 2.03 1.99 2ch1A1 PRO 349 HG3 -0.03 0.05 0.04 -0.04 2.03 2.05 2ch1A1 PRO 349 HD2 -0.18 0.12 0.20 -0.04 3.68 3.78 2ch1A1 PRO 349 HD3 -0.14 -0.06 0.20 -0.04 3.65 3.61 2ch1A1 THR 350 H -0.23 0.52 -0.38 -0.55 8.28 7.64 2ch1A1 THR 350 HA -0.30 0.23 0.77 -0.75 4.39 4.33 2ch1A1 THR 350 HB -0.30 -0.06 0.12 -0.04 4.32 4.04 2ch1A1 THR 350 HG23 -0.89 -0.00 -0.01 -0.04 1.22 0.28 2ch1A1 PHE 351 H 0.01 0.59 -0.42 -0.55 8.34 7.97 2ch1A1 PHE 351 HA -0.22 -0.06 0.31 -0.75 4.62 3.89 2ch1A1 PHE 351 HB2 -0.13 -0.19 -0.08 -0.04 3.15 2.71 2ch1A1 PHE 351 HB3 -0.10 0.13 0.04 -0.04 3.06 3.08 2ch1A1 PHE 351 HD2 -0.07 0.06 -0.13 -0.04 7.28 7.10 2ch1A1 PHE 351 HE2 0.01 0.01 -0.04 -0.04 7.38 7.33 2ch1A1 PHE 351 HZ 0.03 0.01 -0.02 -0.04 7.32 7.30 2ch1A1 GLY 352 H -0.90 0.07 0.21 -0.55 8.43 7.26 2ch1A1 GLY 352 HA2 -0.53 -0.04 0.37 -0.51 4.01 3.30 2ch1A1 GLY 352 HA3 -0.41 0.10 0.50 -0.51 4.01 3.69 2ch1A1 LYS 353 H -0.30 0.31 -0.60 -0.55 8.42 7.29 2ch1A1 LYS 353 HA -0.13 0.19 0.81 -0.75 4.32 4.44 2ch1A1 LYS 353 HB2 -0.09 -0.02 0.00 -0.04 1.87 1.72 2ch1A1 LYS 353 HB3 0.03 -0.03 -0.01 -0.04 1.79 1.74 2ch1A1 LYS 353 HG2 -0.02 -0.01 -0.10 -0.04 1.46 1.29 2ch1A1 LYS 353 HG3 -0.04 0.13 -0.21 -0.04 1.46 1.30 2ch1A1 LYS 353 HD2 0.19 0.07 0.05 -0.04 1.69 1.96 2ch1A1 LYS 353 HD3 0.10 -0.06 -0.00 -0.04 1.68 1.68 2ch1A1 LYS 353 HE2 0.05 0.05 -0.00 -0.04 2.99 3.05 2ch1A1 LYS 353 HE3 0.13 -0.05 0.05 -0.04 2.99 3.08 2ch1A1 ALA 354 H -0.36 0.34 0.19 -0.55 8.40 8.03 2ch1A1 ALA 354 HA -0.20 0.20 0.86 -0.75 4.34 4.44 2ch1A1 ALA 354 HB3 -0.04 -0.01 -0.26 -0.04 1.41 1.07 2ch1A1 TRP 355 H 0.21 0.47 0.21 -0.55 7.97 8.31 2ch1A1 TRP 355 HA -0.14 0.07 0.85 -0.75 4.62 4.64 2ch1A1 TRP 355 HB2 0.08 -0.05 0.03 -0.04 3.23 3.25 2ch1A1 TRP 355 HB3 0.14 0.14 0.05 -0.04 3.23 3.51 2ch1A1 TRP 355 HD1 0.33 0.11 -0.24 -0.04 7.22 7.38 2ch1A1 TRP 355 HE1 0.42 0.18 0.07 -0.04 10.20 10.82 2ch1A1 TRP 355 HE3 0.14 0.14 -0.07 -0.04 7.59 7.76 2ch1A1 TRP 355 HZ2 0.08 -0.06 -0.05 -0.04 7.44 7.37 2ch1A1 TRP 355 HZ3 0.17 0.17 -0.12 -0.04 7.13 7.30 2ch1A1 TRP 355 HH2 -0.01 -0.00 -0.04 -0.04 7.19 7.09 2ch1A1 ARG 356 H 0.21 0.64 0.09 -0.55 8.46 8.85 2ch1A1 ARG 356 HA 0.07 0.29 0.90 -0.75 4.34 4.85 2ch1A1 ARG 356 HB2 0.06 0.02 0.00 -0.04 1.90 1.94 2ch1A1 ARG 356 HB3 0.05 -0.03 -0.12 -0.04 1.80 1.65 2ch1A1 ARG 356 HG2 -0.03 0.00 -0.29 -0.04 1.67 1.31 2ch1A1 ARG 356 HG3 -0.05 -0.03 -0.61 -0.04 1.67 0.94 2ch1A1 ARG 356 HD2 0.01 0.27 -0.05 -0.04 3.22 3.42 2ch1A1 ARG 356 HD3 -0.08 -0.08 -0.08 -0.04 3.22 2.93 2ch1A1 VAL 357 H 0.01 0.60 0.25 -0.55 8.24 8.55 2ch1A1 VAL 357 HA -0.07 0.31 1.10 -0.75 4.13 4.70 2ch1A1 VAL 357 HB -0.19 -0.07 -0.01 -0.04 2.12 1.81 2ch1A1 VAL 357 HG13 -0.86 0.05 -0.03 -0.04 0.97 0.09 2ch1A1 VAL 357 HG23 -0.15 0.01 -0.06 -0.04 0.95 0.70 2ch1A1 GLY 358 H -0.06 0.48 -0.18 -0.55 8.43 8.12 2ch1A1 GLY 358 HA2 -0.03 0.44 0.88 -0.51 4.01 4.79 2ch1A1 GLY 358 HA3 -0.01 0.14 0.02 -0.51 4.01 3.65 2ch1A1 ILE 359 H -0.04 0.63 0.18 -0.55 8.25 8.47 2ch1A1 ILE 359 HA -0.05 0.11 0.65 -0.75 4.18 4.13 2ch1A1 ILE 359 HB -0.06 0.04 0.13 -0.04 1.89 1.96 2ch1A1 ILE 359 HG12 -0.11 -0.02 -0.06 -0.04 1.49 1.27 2ch1A1 ILE 359 HG13 -0.12 -0.00 -0.49 -0.04 1.21 0.56 2ch1A1 ILE 359 HG23 -0.05 -0.01 -0.05 -0.04 0.93 0.78 2ch1A1 ILE 359 HD13 -0.13 0.04 -0.17 -0.04 0.88 0.58 2ch1A1 MET 360 H -0.02 0.28 -0.08 -0.55 8.47 8.11 2ch1A1 MET 360 HA -0.02 0.20 0.81 -0.75 4.52 4.76 2ch1A1 MET 360 HB2 -0.00 -0.01 -0.10 -0.04 2.15 2.00 2ch1A1 MET 360 HB3 -0.01 -0.03 0.09 -0.04 2.03 2.05 2ch1A1 MET 360 HG2 -0.02 0.10 -0.02 -0.04 2.63 2.65 2ch1A1 MET 360 HG3 -0.02 -0.06 -0.61 -0.04 2.56 1.83 2ch1A1 MET 360 HE3 0.02 -0.01 -0.41 -0.04 2.10 1.65 2ch1A1 GLY 361 H -0.01 0.55 0.15 -0.55 8.43 8.57 2ch1A1 GLY 361 HA2 -0.00 0.16 0.19 -0.51 4.01 3.85 2ch1A1 GLY 361 HA3 0.01 -0.04 0.29 -0.51 4.01 3.76 2ch1A1 GLU 362 H 0.01 0.45 0.29 -0.55 8.60 8.81 2ch1A1 GLU 362 HA 0.01 0.10 0.36 -0.75 4.29 4.00 2ch1A1 GLU 362 HB2 0.02 0.01 0.01 -0.04 2.09 2.08 2ch1A1 GLU 362 HB3 0.01 -0.04 0.09 -0.04 1.99 2.01 2ch1A1 GLU 362 HG2 0.01 0.12 -0.09 -0.04 2.34 2.34 2ch1A1 GLU 362 HG3 0.01 -0.04 -0.41 -0.04 2.34 1.86 2ch1A1 CYS 363 H 0.01 0.43 -0.21 -0.55 8.50 8.18 2ch1A1 CYS 363 HA 0.02 0.10 0.85 -0.75 4.58 4.79 2ch1A1 CYS 363 HB2 0.03 0.18 0.09 -0.04 2.97 3.23 2ch1A1 CYS 363 HB3 0.05 -0.00 0.15 -0.04 2.97 3.13 2ch1A1 SER 364 H -0.00 0.30 -0.42 -0.55 8.46 7.79 2ch1A1 SER 364 HA -0.02 0.16 0.58 -0.75 4.49 4.45 2ch1A1 SER 364 HB2 -0.01 0.02 0.04 -0.04 3.95 3.96 2ch1A1 SER 364 HB3 -0.02 0.01 0.02 -0.04 3.93 3.89 2ch1A1 THR 365 H 0.00 0.31 -0.54 -0.55 8.28 7.50 2ch1A1 THR 365 HA -0.01 0.28 0.91 -0.75 4.39 4.82 2ch1A1 THR 365 HB -0.00 -0.07 0.11 -0.04 4.32 4.32 2ch1A1 THR 365 HG23 -0.00 0.05 -0.21 -0.04 1.22 1.02 2ch1A1 VAL 366 H -0.00 0.22 0.15 -0.55 8.24 8.06 2ch1A1 VAL 366 HA -0.01 0.14 0.40 -0.75 4.13 3.91 2ch1A1 VAL 366 HB -0.00 -0.04 0.15 -0.04 2.12 2.19 2ch1A1 VAL 366 HG13 0.00 0.02 -0.10 -0.04 0.97 0.85 2ch1A1 VAL 366 HG23 -0.01 0.03 0.05 -0.04 0.95 0.98 2ch1A1 GLN 367 H 0.01 0.08 -0.13 -0.55 8.47 7.89 2ch1A1 GLN 367 HA 0.03 0.10 0.36 -0.75 4.36 4.10 2ch1A1 GLN 367 HB2 0.00 -0.01 0.02 -0.04 2.15 2.12 2ch1A1 GLN 367 HB3 0.00 0.07 -0.02 -0.04 2.02 2.03 2ch1A1 GLN 367 HG2 -0.01 0.06 0.02 -0.04 2.40 2.43 2ch1A1 GLN 367 HG3 0.00 -0.01 0.01 -0.04 2.39 2.36 2ch1A1 GLN 367 HE21 -0.01 0.02 0.02 -0.04 6.97 6.96 2ch1A1 GLN 367 HE22 -0.01 0.03 0.01 -0.04 7.69 7.68 2ch1A1 LYS 368 H 0.03 0.06 -0.30 -0.55 8.42 7.65 2ch1A1 LYS 368 HA 0.13 0.07 0.59 -0.75 4.32 4.36 2ch1A1 LYS 368 HB2 0.04 -0.05 0.14 -0.04 1.87 1.95 2ch1A1 LYS 368 HB3 0.07 0.16 0.09 -0.04 1.79 2.07 2ch1A1 LYS 368 HG2 0.02 -0.06 0.03 -0.04 1.46 1.41 2ch1A1 LYS 368 HG3 0.04 0.04 0.13 -0.04 1.46 1.63 2ch1A1 LYS 368 HD2 0.12 0.03 0.06 -0.04 1.69 1.87 2ch1A1 LYS 368 HD3 0.03 -0.03 0.02 -0.04 1.68 1.67 2ch1A1 LYS 368 HE2 0.04 -0.02 -0.01 -0.04 2.99 2.96 2ch1A1 LYS 368 HE3 -0.03 0.02 -0.01 -0.04 2.99 2.93 2ch1A1 ILE 369 H 0.04 0.56 0.04 -0.55 8.25 8.34 2ch1A1 ILE 369 HA 0.05 0.07 0.52 -0.75 4.18 4.07 2ch1A1 ILE 369 HB -0.00 0.02 0.17 -0.04 1.89 2.03 2ch1A1 ILE 369 HG12 -0.07 0.06 -0.01 -0.04 1.49 1.42 2ch1A1 ILE 369 HG13 -0.09 0.01 0.03 -0.04 1.21 1.13 2ch1A1 ILE 369 HG23 -0.02 0.01 -0.16 -0.04 0.93 0.72 2ch1A1 ILE 369 HD13 -0.03 -0.01 0.04 -0.04 0.88 0.84 2ch1A1 GLN 370 H 0.06 0.50 -0.20 -0.55 8.47 8.29 2ch1A1 GLN 370 HA 0.05 0.04 0.42 -0.75 4.36 4.12 2ch1A1 GLN 370 HB2 0.07 0.08 0.12 -0.04 2.15 2.38 2ch1A1 GLN 370 HB3 0.04 -0.04 0.01 -0.04 2.02 1.99 2ch1A1 GLN 370 HG2 0.03 0.21 0.11 -0.04 2.40 2.70 2ch1A1 GLN 370 HG3 0.02 -0.12 -0.07 -0.04 2.39 2.17 2ch1A1 GLN 370 HE21 0.01 -0.00 -0.01 -0.04 6.97 6.92 2ch1A1 GLN 370 HE22 0.01 -0.05 -0.04 -0.04 7.69 7.57 2ch1A1 PHE 371 H 0.23 0.52 -0.11 -0.55 8.34 8.42 2ch1A1 PHE 371 HA 0.04 -0.01 0.54 -0.75 4.62 4.43 2ch1A1 PHE 371 HB2 0.01 0.02 0.17 -0.04 3.15 3.30 2ch1A1 PHE 371 HB3 0.05 0.10 0.19 -0.04 3.06 3.36 2ch1A1 PHE 371 HD2 0.01 -0.00 -0.02 -0.04 7.28 7.23 2ch1A1 PHE 371 HE2 0.11 0.05 -0.00 -0.04 7.38 7.50 2ch1A1 PHE 371 HZ 0.25 0.08 0.06 -0.04 7.32 7.67 2ch1A1 TYR 372 H 0.24 0.62 -0.15 -0.55 8.29 8.46 2ch1A1 TYR 372 HA -0.11 -0.02 0.37 -0.75 4.56 4.06 2ch1A1 TYR 372 HB2 0.04 0.04 0.12 -0.04 3.06 3.22 2ch1A1 TYR 372 HB3 -0.02 0.11 0.18 -0.04 2.98 3.21 2ch1A1 TYR 372 HD2 -0.04 -0.01 -0.14 -0.04 7.15 6.92 2ch1A1 TYR 372 HE2 -0.18 0.09 -0.02 -0.04 6.85 6.70 2ch1A1 LEU 373 H 0.13 0.59 -0.10 -0.55 8.37 8.43 2ch1A1 LEU 373 HA 0.04 0.00 0.35 -0.75 4.35 3.99 2ch1A1 LEU 373 HB2 0.04 0.11 0.19 -0.04 1.64 1.94 2ch1A1 LEU 373 HB3 0.02 -0.03 -0.00 -0.04 1.64 1.59 2ch1A1 LEU 373 HG 0.08 0.08 0.07 -0.04 1.64 1.82 2ch1A1 LEU 373 HD13 0.02 -0.01 -0.08 -0.04 0.93 0.82 2ch1A1 LEU 373 HD23 0.02 0.01 -0.06 -0.04 0.89 0.83 2ch1A1 TYR 374 H 0.01 0.57 -0.15 -0.55 8.29 8.17 2ch1A1 TYR 374 HA -0.21 -0.01 0.46 -0.75 4.56 4.05 2ch1A1 TYR 374 HB2 -0.13 -0.01 0.12 -0.04 3.06 2.99 2ch1A1 TYR 374 HB3 -0.33 0.10 0.24 -0.04 2.98 2.94 2ch1A1 TYR 374 HD2 -0.41 0.02 -0.01 -0.04 7.15 6.71 2ch1A1 TYR 374 HE2 -0.05 0.00 -0.03 -0.04 6.85 6.73 2ch1A1 GLY 375 H -0.65 0.82 0.03 -0.55 8.43 8.07 2ch1A1 GLY 375 HA2 -1.67 -0.03 0.38 -0.51 4.01 2.18 2ch1A1 GLY 375 HA3 -1.05 0.05 0.30 -0.51 4.01 2.81 2ch1A1 PHE 376 H -0.41 0.91 -0.07 -0.55 8.34 8.22 2ch1A1 PHE 376 HA -0.45 -0.03 0.43 -0.75 4.62 3.81 2ch1A1 PHE 376 HB2 -0.74 0.04 0.04 -0.04 3.15 2.45 2ch1A1 PHE 376 HB3 -0.32 0.08 0.11 -0.04 3.06 2.89 2ch1A1 PHE 376 HD2 -0.40 0.02 -0.14 -0.04 7.28 6.72 2ch1A1 PHE 376 HE2 -1.05 0.00 -0.08 -0.04 7.38 6.21 2ch1A1 PHE 376 HZ -1.80 0.01 -0.08 -0.04 7.32 5.41 2ch1A1 LYS 377 H -0.15 0.70 -0.06 -0.55 8.42 8.36 2ch1A1 LYS 377 HA -0.08 -0.01 0.36 -0.75 4.32 3.82 2ch1A1 LYS 377 HB2 -0.13 0.02 0.12 -0.04 1.87 1.84 2ch1A1 LYS 377 HB3 -0.27 0.13 0.22 -0.04 1.79 1.83 2ch1A1 LYS 377 HG2 -0.39 -0.02 -0.19 -0.04 1.46 0.82 2ch1A1 LYS 377 HG3 -0.66 -0.06 -0.05 -0.04 1.46 0.64 2ch1A1 LYS 377 HD2 -0.49 0.03 -0.01 -0.04 1.69 1.18 2ch1A1 LYS 377 HD3 -0.27 -0.01 -0.02 -0.04 1.68 1.34 2ch1A1 LYS 377 HE2 -0.39 -0.03 -0.04 -0.04 2.99 2.49 2ch1A1 LYS 377 HE3 -1.22 -0.01 -0.04 -0.04 2.99 1.68 2ch1A1 GLU 378 H -0.51 0.73 -0.02 -0.55 8.60 8.24 2ch1A1 GLU 378 HA -0.22 -0.03 0.38 -0.75 4.29 3.67 2ch1A1 GLU 378 HB2 -0.52 0.10 0.06 -0.04 2.09 1.69 2ch1A1 GLU 378 HB3 -0.01 -0.07 -0.00 -0.04 1.99 1.88 2ch1A1 GLU 378 HG2 -1.18 0.27 0.06 -0.04 2.34 1.44 2ch1A1 GLU 378 HG3 -0.80 -0.06 -0.02 -0.04 2.34 1.42 2ch1A1 SER 379 H -0.28 0.50 -0.43 -0.55 8.46 7.70 2ch1A1 SER 379 HA -0.27 0.00 0.55 -0.75 4.49 4.02 2ch1A1 SER 379 HB2 -0.33 0.12 0.19 -0.04 3.95 3.89 2ch1A1 SER 379 HB3 -0.06 0.00 0.06 -0.04 3.93 3.89 2ch1A1 LEU 380 H -0.46 0.72 0.09 -0.55 8.37 8.16 2ch1A1 LEU 380 HA -0.19 -0.06 0.47 -0.75 4.35 3.81 2ch1A1 LEU 380 HB2 -0.49 0.13 0.12 -0.04 1.64 1.36 2ch1A1 LEU 380 HB3 0.05 0.08 -0.02 -0.04 1.64 1.71 2ch1A1 LEU 380 HG -0.46 -0.04 -0.01 -0.04 1.64 1.09 2ch1A1 LEU 380 HD13 -0.42 0.01 -0.07 -0.04 0.93 0.40 2ch1A1 LEU 380 HD23 -0.29 -0.02 -0.01 -0.04 0.89 0.53 2ch1A1 LYS 381 H -0.06 0.63 -0.24 -0.55 8.42 8.20 2ch1A1 LYS 381 HA 0.20 0.09 0.26 -0.75 4.32 4.12 2ch1A1 LYS 381 HB2 0.01 0.13 0.06 -0.04 1.87 2.03 2ch1A1 LYS 381 HB3 -0.06 0.04 0.10 -0.04 1.79 1.82 2ch1A1 LYS 381 HG2 0.05 -0.03 -0.14 -0.04 1.46 1.31 2ch1A1 LYS 381 HG3 0.25 0.02 -0.01 -0.04 1.46 1.68 2ch1A1 LYS 381 HD2 -0.12 -0.02 -0.05 -0.04 1.69 1.46 2ch1A1 LYS 381 HD3 -0.07 -0.01 -0.04 -0.04 1.68 1.53 2ch1A1 LYS 381 HE2 0.03 0.01 -0.04 -0.04 2.99 2.95 2ch1A1 LYS 381 HE3 0.02 -0.02 -0.02 -0.04 2.99 2.93 2ch1A1 ALA 382 H -0.24 0.62 -0.08 -0.55 8.40 8.16 2ch1A1 ALA 382 HA -0.13 0.00 0.31 -0.75 4.34 3.77 2ch1A1 ALA 382 HB3 -0.52 -0.01 0.12 -0.04 1.41 0.96 2ch1A1 THR 383 H -0.17 0.20 -0.89 -0.55 8.28 6.87 2ch1A1 THR 383 HA -0.22 0.05 0.45 -0.75 4.39 3.92 2ch1A1 THR 383 HB -0.31 0.40 0.05 -0.04 4.32 4.42 2ch1A1 THR 383 HG23 0.30 -0.04 -0.12 -0.04 1.22 1.33 2ch1A1 HIS 384 H 0.03 0.44 -0.16 -0.55 8.41 8.17 2ch1A1 HIS 384 HA -0.01 0.08 0.78 -0.75 4.63 4.73 2ch1A1 HIS 384 HB2 -0.02 0.18 0.18 -0.04 3.26 3.56 2ch1A1 HIS 384 HB3 0.04 -0.13 0.10 -0.04 3.20 3.17 2ch1A1 HIS 384 HD2 0.03 0.03 -0.01 -0.04 6.97 6.98 2ch1A1 HIS 384 HE1 0.03 0.03 0.09 -0.04 7.75 7.86 2ch1A1 PRO 385 HA 0.06 0.22 0.38 -0.51 4.44 4.59 2ch1A1 PRO 385 HB2 0.01 -0.05 -0.01 -0.04 2.28 2.19 2ch1A1 PRO 385 HB3 0.01 0.01 0.10 -0.04 2.02 2.09 2ch1A1 PRO 385 HG2 -0.03 -0.03 0.01 -0.04 2.03 1.95 2ch1A1 PRO 385 HG3 -0.03 0.15 -0.04 -0.04 2.03 2.06 2ch1A1 PRO 385 HD2 -0.03 0.01 0.09 -0.04 3.68 3.71 2ch1A1 PRO 385 HD3 -0.09 0.24 -0.38 -0.04 3.65 3.38 2ch1A1 ASP 386 H 0.07 0.03 -0.43 -0.55 8.40 7.52 2ch1A1 ASP 386 HA 0.02 0.18 0.68 -0.75 4.63 4.75 2ch1A1 ASP 386 HB2 0.05 -0.02 -0.01 -0.04 2.71 2.68 2ch1A1 ASP 386 HB3 0.01 -0.03 0.09 -0.04 2.70 2.73 2ch1A1 TYR 387 H 0.14 0.48 -0.18 -0.55 8.29 8.18 2ch1A1 TYR 387 HA -0.11 -0.04 0.49 -0.75 4.56 4.14 2ch1A1 TYR 387 HB2 -0.09 -0.08 0.07 -0.04 3.06 2.91 2ch1A1 TYR 387 HB3 -0.22 0.12 0.02 -0.04 2.98 2.85 2ch1A1 TYR 387 HD2 -0.93 -0.09 -0.18 -0.04 7.15 5.90 2ch1A1 TYR 387 HE2 -0.38 -0.00 -0.05 -0.04 6.85 6.38 2ch1A1 ILE 388 H -1.05 0.12 0.18 -0.55 8.25 6.94 2ch1A1 ILE 388 HA -0.26 0.14 0.92 -0.75 4.18 4.22 2ch1A1 ILE 388 HB -0.15 -0.05 0.05 -0.04 1.89 1.70 2ch1A1 ILE 388 HG12 -0.28 -0.05 0.10 -0.04 1.49 1.22 2ch1A1 ILE 388 HG13 -0.39 0.11 0.07 -0.04 1.21 0.96 2ch1A1 ILE 388 HG23 -0.16 0.01 -0.01 -0.04 0.93 0.72 2ch1A1 ILE 388 HD13 -0.10 -0.02 -0.03 -0.04 0.88 0.69 2ch1A1 PHE 389 H 0.06 0.10 0.03 -0.55 8.34 7.98 2ch1A1 PHE 389 HA 0.05 0.43 0.62 -0.75 4.62 4.96 2ch1A1 PHE 389 HB2 0.04 -0.06 0.09 -0.04 3.15 3.17 2ch1A1 PHE 389 HB3 0.08 0.08 0.10 -0.04 3.06 3.28 2ch1A1 PHE 389 HD2 0.15 0.03 0.03 -0.04 7.28 7.44 2ch1A1 PHE 389 HE2 0.08 0.00 -0.06 -0.04 7.38 7.36 2ch1A1 PHE 389 HZ 0.01 -0.02 -0.11 -0.04 7.32 7.17