============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 12 1.000 23.347 72.567 167.299 -99.200 -91.000 HIS 31 0.900 19.071 50.232 170.200 -99.200 -91.000 TYR 36 0.840 23.236 67.931 171.936 -99.200 -91.000 PHE 57 1.000 11.877 74.812 166.538 -99.200 -91.000 TRP 89 1.040 -11.756 56.858 151.621 -99.200 -91.000 TRP6 89 1.020 -10.304 55.281 150.639 -99.200 -91.000 PHE 93 1.000 -6.370 64.480 143.412 -99.200 -91.000 HIS 108 0.900 2.683 51.341 147.145 -99.200 -91.000 HIS 109 0.900 -0.231 54.091 142.345 -99.200 -91.000 HIS 113 0.900 5.719 62.188 148.418 -99.200 -91.000 TYR 119 0.840 5.150 69.635 147.339 -99.200 -91.000 TRP 120 1.040 4.463 77.732 142.041 -99.200 -91.000 TRP6 120 1.020 6.528 78.707 142.693 -99.200 -91.000 TYR 129 0.840 1.596 71.011 140.048 -99.200 -91.000 PHE 143 1.000 -6.332 78.495 146.958 -99.200 -91.000 PHE 159 1.000 6.063 59.907 137.897 -99.200 -91.000 TRP 165 1.040 9.866 59.213 145.159 -99.200 -91.000 TRP6 165 1.020 10.941 61.300 145.570 -99.200 -91.000 TYR 167 0.840 8.842 66.570 148.751 -99.200 -91.000 PHE 205 1.000 -2.753 69.657 160.589 -99.200 -91.000 PHE 213 1.000 4.408 78.403 166.757 -99.200 -91.000 TYR 217 0.840 15.311 85.352 162.544 -99.200 -91.000 HIS 218 0.900 15.974 85.300 153.644 -99.200 -91.000 HIS 239 0.900 17.905 70.643 148.113 -99.200 -91.000 PHE 245 1.000 10.051 79.716 153.611 -99.200 -91.000 PHE 251 1.000 1.398 82.318 164.898 -99.200 -91.000 TYR 256 0.840 -4.533 74.539 151.705 -99.200 -91.000 TYR 264 0.840 0.908 74.020 166.690 -99.200 -91.000 PHE 283 1.000 0.967 54.969 166.417 -99.200 -91.000 TRP 308 1.040 19.868 59.316 150.419 -99.200 -91.000 TRP6 308 1.020 19.242 58.924 152.674 -99.200 -91.000 PHE 310 1.000 9.598 59.421 150.389 -99.200 -91.000 TYR 312 0.840 3.660 52.435 152.211 -99.200 -91.000 HIS 328 0.900 25.553 51.793 160.504 -99.200 -91.000 TRP 334 1.040 11.073 64.517 153.310 -99.200 -91.000 TRP6 334 1.020 12.249 63.864 151.360 -99.200 -91.000 TYR 338 0.840 8.303 77.695 157.939 -99.200 -91.000 HIS 340 0.900 11.929 72.583 160.986 -99.200 -91.000 TRP 342 1.040 12.600 63.649 159.903 -99.200 -91.000 TRP6 342 1.020 12.513 61.313 159.541 -99.200 -91.000 PHE 343 1.000 20.672 60.885 161.178 -99.200 -91.000 TYR 360 0.840 15.257 77.174 151.612 -99.200 -91.000 TYR 376 0.840 26.070 58.149 161.762 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1ci8A1 ALA 15 HA 0.05 0.06 0.27 -0.75 4.34 3.96 1ci8A1 ALA 15 HB3 0.03 0.01 0.09 -0.04 1.41 1.51 1ci8A1 ALA 16 H 0.03 0.20 0.14 -0.55 8.40 8.22 1ci8A1 ALA 16 HA 0.04 0.11 0.52 -0.75 4.34 4.25 1ci8A1 ALA 16 HB3 0.02 0.01 0.09 -0.04 1.41 1.49 1ci8A1 SER 17 H 0.01 0.17 0.01 -0.55 8.46 8.12 1ci8A1 SER 17 HA 0.01 0.10 0.61 -0.75 4.49 4.46 1ci8A1 SER 17 HB2 0.00 0.04 0.07 -0.04 3.95 4.02 1ci8A1 SER 17 HB3 0.01 -0.01 0.11 -0.04 3.93 3.99 1ci8A1 LEU 18 H 0.00 0.14 -0.29 -0.55 8.37 7.67 1ci8A1 LEU 18 HA -0.05 0.15 0.36 -0.75 4.35 4.06 1ci8A1 LEU 18 HB2 -0.03 0.06 0.04 -0.04 1.64 1.67 1ci8A1 LEU 18 HB3 -0.01 0.08 0.03 -0.04 1.64 1.70 1ci8A1 LEU 18 HG -0.18 -0.06 -0.29 -0.04 1.64 1.07 1ci8A1 LEU 18 HD13 -0.11 0.02 -0.03 -0.04 0.93 0.77 1ci8A1 LEU 18 HD23 -0.03 0.01 -0.08 -0.04 0.89 0.75 1ci8A1 ALA 19 H 0.03 0.55 -0.21 -0.55 8.40 8.23 1ci8A1 ALA 19 HA -0.01 -0.03 0.37 -0.75 4.34 3.92 1ci8A1 ALA 19 HB3 0.19 0.04 0.14 -0.04 1.41 1.74 1ci8A1 ALA 20 H 0.03 0.40 -0.37 -0.55 8.40 7.91 1ci8A1 ALA 20 HA 0.05 0.00 0.39 -0.75 4.34 4.03 1ci8A1 ALA 20 HB3 0.02 0.04 0.11 -0.04 1.41 1.54 1ci8A1 ARG 21 H -0.02 0.52 -0.16 -0.55 8.46 8.24 1ci8A1 ARG 21 HA -0.01 0.00 0.45 -0.75 4.34 4.03 1ci8A1 ARG 21 HB2 -0.05 0.12 0.14 -0.04 1.90 2.06 1ci8A1 ARG 21 HB3 -0.04 -0.05 0.01 -0.04 1.80 1.69 1ci8A1 ARG 21 HG2 -0.01 -0.10 0.03 -0.04 1.67 1.55 1ci8A1 ARG 21 HG3 -0.01 0.21 0.08 -0.04 1.67 1.91 1ci8A1 ARG 21 HD2 -0.01 -0.06 0.03 -0.04 3.22 3.14 1ci8A1 ARG 21 HD3 -0.00 -0.05 -0.00 -0.04 3.22 3.12 1ci8A1 LEU 22 H -0.13 0.79 -0.04 -0.55 8.37 8.44 1ci8A1 LEU 22 HA -0.15 0.03 0.44 -0.75 4.35 3.91 1ci8A1 LEU 22 HB2 -0.59 0.16 0.09 -0.04 1.64 1.26 1ci8A1 LEU 22 HB3 -0.38 -0.05 -0.08 -0.04 1.64 1.09 1ci8A1 LEU 22 HG -0.25 -0.05 -0.06 -0.04 1.64 1.23 1ci8A1 LEU 22 HD13 -0.16 0.02 -0.07 -0.04 0.93 0.68 1ci8A1 LEU 22 HD23 -0.63 0.01 -0.14 -0.04 0.89 0.09 1ci8A1 ASP 23 H 0.07 0.67 -0.21 -0.55 8.40 8.38 1ci8A1 ASP 23 HA 0.33 -0.04 0.32 -0.75 4.63 4.48 1ci8A1 ASP 23 HB2 0.11 0.17 0.16 -0.04 2.71 3.10 1ci8A1 ASP 23 HB3 0.12 -0.08 0.00 -0.04 2.70 2.70 1ci8A1 ALA 24 H 0.04 0.46 -0.35 -0.55 8.40 8.00 1ci8A1 ALA 24 HA 0.04 -0.00 0.45 -0.75 4.34 4.08 1ci8A1 ALA 24 HB3 0.01 0.04 0.10 -0.04 1.41 1.52 1ci8A1 VAL 25 H -0.03 0.50 -0.16 -0.55 8.24 8.00 1ci8A1 VAL 25 HA -0.05 0.01 0.38 -0.75 4.13 3.71 1ci8A1 VAL 25 HB -0.24 0.18 0.12 -0.04 2.12 2.14 1ci8A1 VAL 25 HG13 -0.22 -0.04 -0.24 -0.04 0.97 0.43 1ci8A1 VAL 25 HG23 -0.08 0.08 -0.02 -0.04 0.95 0.89 1ci8A1 PHE 26 H 0.05 0.59 -0.15 -0.55 8.34 8.28 1ci8A1 PHE 26 HA 0.03 -0.02 0.31 -0.75 4.62 4.19 1ci8A1 PHE 26 HB2 0.07 0.11 0.07 -0.04 3.15 3.35 1ci8A1 PHE 26 HB3 0.05 -0.05 -0.11 -0.04 3.06 2.91 1ci8A1 PHE 26 HD2 0.10 -0.01 -0.20 -0.04 7.28 7.13 1ci8A1 PHE 26 HE2 0.15 -0.02 -0.16 -0.04 7.38 7.30 1ci8A1 PHE 26 HZ 0.10 -0.01 -0.15 -0.04 7.32 7.22 1ci8A1 ASP 27 H 0.15 0.63 -0.17 -0.55 8.40 8.46 1ci8A1 ASP 27 HA 0.09 -0.02 0.39 -0.75 4.63 4.34 1ci8A1 ASP 27 HB2 0.06 0.11 0.16 -0.04 2.71 3.00 1ci8A1 ASP 27 HB3 0.05 -0.06 0.01 -0.04 2.70 2.66 1ci8A1 GLN 28 H 0.04 0.51 -0.28 -0.55 8.47 8.20 1ci8A1 GLN 28 HA 0.02 0.03 0.50 -0.75 4.36 4.15 1ci8A1 GLN 28 HB2 0.01 0.06 0.11 -0.04 2.15 2.29 1ci8A1 GLN 28 HB3 0.00 0.13 0.12 -0.04 2.02 2.23 1ci8A1 GLN 28 HG2 0.01 -0.04 -0.15 -0.04 2.40 2.17 1ci8A1 GLN 28 HG3 0.01 -0.03 0.03 -0.04 2.39 2.36 1ci8A1 GLN 28 HE21 -0.00 -0.01 -0.04 -0.04 6.97 6.88 1ci8A1 GLN 28 HE22 0.00 -0.01 -0.04 -0.04 7.69 7.60 1ci8A1 ALA 29 H 0.04 0.50 -0.14 -0.55 8.40 8.25 1ci8A1 ALA 29 HA 0.02 0.02 0.37 -0.75 4.34 4.00 1ci8A1 ALA 29 HB3 0.05 0.02 -0.03 -0.04 1.41 1.41 1ci8A1 LEU 30 H 0.08 0.57 -0.15 -0.55 8.37 8.32 1ci8A1 LEU 30 HA 0.03 0.15 0.54 -0.75 4.35 4.31 1ci8A1 LEU 30 HB2 0.05 0.08 0.15 -0.04 1.64 1.88 1ci8A1 LEU 30 HB3 0.02 -0.02 0.03 -0.04 1.64 1.63 1ci8A1 LEU 30 HG 0.12 0.08 -0.03 -0.04 1.64 1.77 1ci8A1 LEU 30 HD13 0.04 -0.04 -0.11 -0.04 0.93 0.78 1ci8A1 LEU 30 HD23 0.02 0.02 -0.14 -0.04 0.89 0.75 1ci8A1 ARG 31 H 0.03 0.52 -0.12 -0.55 8.46 8.34 1ci8A1 ARG 31 HA 0.01 -0.00 0.40 -0.75 4.34 3.99 1ci8A1 ARG 31 HB2 0.02 0.29 0.25 -0.04 1.90 2.42 1ci8A1 ARG 31 HB3 0.01 0.07 0.15 -0.04 1.80 2.00 1ci8A1 ARG 31 HG2 0.01 -0.02 -0.05 -0.04 1.67 1.57 1ci8A1 ARG 31 HG3 0.01 -0.04 0.08 -0.04 1.67 1.68 1ci8A1 ARG 31 HD2 0.01 -0.02 -0.01 -0.04 3.22 3.17 1ci8A1 ARG 31 HD3 0.01 -0.05 0.00 -0.04 3.22 3.14 1ci8A1 GLU 32 H 0.01 0.46 -0.23 -0.55 8.60 8.30 1ci8A1 GLU 32 HA 0.00 0.08 0.59 -0.75 4.29 4.21 1ci8A1 GLU 32 HB2 0.01 -0.02 0.07 -0.04 2.09 2.11 1ci8A1 GLU 32 HB3 0.01 -0.05 0.15 -0.04 1.99 2.05 1ci8A1 GLU 32 HG2 0.01 -0.04 0.01 -0.04 2.34 2.27 1ci8A1 GLU 32 HG3 0.01 0.18 0.09 -0.04 2.34 2.59 1ci8A1 ARG 33 H 0.00 0.37 -0.70 -0.55 8.46 7.58 1ci8A1 ARG 33 HA -0.02 0.05 0.39 -0.75 4.34 4.01 1ci8A1 ARG 33 HB2 -0.01 0.12 -0.17 -0.04 1.90 1.80 1ci8A1 ARG 33 HB3 -0.03 -0.08 0.38 -0.04 1.80 2.03 1ci8A1 ARG 33 HG2 -0.03 -0.13 0.05 -0.04 1.67 1.52 1ci8A1 ARG 33 HG3 -0.02 0.16 0.10 -0.04 1.67 1.87 1ci8A1 ARG 33 HD2 -0.01 0.04 0.03 -0.04 3.22 3.24 1ci8A1 ARG 33 HD3 -0.01 0.03 -0.09 -0.04 3.22 3.11 1ci8A1 ARG 34 H 0.01 0.58 -0.03 -0.55 8.46 8.46 1ci8A1 ARG 34 HA 0.00 0.15 0.74 -0.75 4.34 4.48 1ci8A1 ARG 34 HB2 0.01 0.06 0.06 -0.04 1.90 2.00 1ci8A1 ARG 34 HB3 0.02 -0.16 0.07 -0.04 1.80 1.68 1ci8A1 ARG 34 HG2 0.01 -0.03 0.04 -0.04 1.67 1.65 1ci8A1 ARG 34 HG3 0.01 0.19 -0.10 -0.04 1.67 1.74 1ci8A1 ARG 34 HD2 0.01 -0.14 0.02 -0.04 3.22 3.07 1ci8A1 ARG 34 HD3 0.01 0.01 0.01 -0.04 3.22 3.20 1ci8A1 LEU 35 H 0.00 0.31 -0.11 -0.55 8.37 8.02 1ci8A1 LEU 35 HA 0.02 0.06 0.73 -0.75 4.35 4.41 1ci8A1 LEU 35 HB2 0.08 -0.00 -0.37 -0.04 1.64 1.30 1ci8A1 LEU 35 HB3 0.08 0.01 -0.29 -0.04 1.64 1.40 1ci8A1 LEU 35 HG 0.08 -0.02 -0.58 -0.04 1.64 1.08 1ci8A1 LEU 35 HD13 0.13 0.00 -0.09 -0.04 0.93 0.92 1ci8A1 LEU 35 HD23 0.26 0.00 -0.28 -0.04 0.89 0.83 1ci8A1 VAL 36 H -0.04 0.08 0.04 -0.55 8.24 7.77 1ci8A1 VAL 36 HA -0.14 0.19 0.75 -0.75 4.13 4.17 1ci8A1 VAL 36 HB -0.19 -0.01 0.11 -0.04 2.12 1.99 1ci8A1 VAL 36 HG13 -0.33 0.03 -0.11 -0.04 0.97 0.51 1ci8A1 VAL 36 HG23 -0.72 0.01 -0.08 -0.04 0.95 0.12 1ci8A1 GLY 37 H 0.04 0.08 0.18 -0.55 8.43 8.18 1ci8A1 GLY 37 HA2 0.02 0.19 0.68 -0.51 4.01 4.39 1ci8A1 GLY 37 HA3 0.04 0.22 0.31 -0.51 4.01 4.07 1ci8A1 ALA 38 H 0.01 0.70 0.34 -0.55 8.40 8.90 1ci8A1 ALA 38 HA 0.20 0.17 0.71 -0.75 4.34 4.67 1ci8A1 ALA 38 HB3 0.11 -0.00 -0.10 -0.04 1.41 1.38 1ci8A1 VAL 39 H -0.02 0.71 0.32 -0.55 8.24 8.70 1ci8A1 VAL 39 HA -0.06 0.23 0.89 -0.75 4.13 4.43 1ci8A1 VAL 39 HB -0.05 -0.04 0.11 -0.04 2.12 2.10 1ci8A1 VAL 39 HG13 -0.02 0.00 -0.16 -0.04 0.97 0.75 1ci8A1 VAL 39 HG23 0.22 -0.02 -0.20 -0.04 0.95 0.91 1ci8A1 ALA 40 H -0.06 0.57 0.24 -0.55 8.40 8.61 1ci8A1 ALA 40 HA 0.08 0.38 1.18 -0.75 4.34 5.23 1ci8A1 ALA 40 HB3 0.41 -0.01 0.01 -0.04 1.41 1.77 1ci8A1 ILE 41 H 0.06 0.58 0.38 -0.55 8.25 8.72 1ci8A1 ILE 41 HA 0.07 0.33 1.02 -0.75 4.18 4.85 1ci8A1 ILE 41 HB -0.02 -0.05 0.06 -0.04 1.89 1.84 1ci8A1 ILE 41 HG12 -0.04 0.00 0.04 -0.04 1.49 1.44 1ci8A1 ILE 41 HG13 -0.03 -0.08 -0.51 -0.04 1.21 0.55 1ci8A1 ILE 41 HG23 -0.02 0.01 -0.08 -0.04 0.93 0.80 1ci8A1 ILE 41 HD13 -0.05 0.00 -0.20 -0.04 0.88 0.60 1ci8A1 VAL 42 H 0.11 0.78 0.42 -0.55 8.24 9.00 1ci8A1 VAL 42 HA -0.02 0.30 1.09 -0.75 4.13 4.74 1ci8A1 VAL 42 HB 0.09 -0.14 0.19 -0.04 2.12 2.22 1ci8A1 VAL 42 HG13 -0.04 0.01 -0.11 -0.04 0.97 0.79 1ci8A1 VAL 42 HG23 0.01 -0.00 -0.10 -0.04 0.95 0.81 1ci8A1 ALA 43 H -0.04 0.74 0.38 -0.55 8.40 8.92 1ci8A1 ALA 43 HA -0.01 0.21 1.00 -0.75 4.34 4.79 1ci8A1 ALA 43 HB3 -0.03 -0.03 -0.10 -0.04 1.41 1.21 1ci8A1 ARG 44 H -0.00 0.66 0.23 -0.55 8.46 8.80 1ci8A1 ARG 44 HA -0.09 0.32 0.86 -0.75 4.34 4.68 1ci8A1 ARG 44 HB2 -0.02 -0.04 -0.09 -0.04 1.90 1.71 1ci8A1 ARG 44 HB3 0.02 -0.03 0.12 -0.04 1.80 1.87 1ci8A1 ARG 44 HG2 0.02 -0.00 -0.11 -0.04 1.67 1.54 1ci8A1 ARG 44 HG3 -0.09 0.10 -0.03 -0.04 1.67 1.61 1ci8A1 ARG 44 HD2 0.02 0.06 0.02 -0.04 3.22 3.27 1ci8A1 ARG 44 HD3 -0.01 -0.05 -0.02 -0.04 3.22 3.10 1ci8A1 HIS 45 H -0.23 0.85 0.28 -0.55 8.41 8.76 1ci8A1 HIS 45 HA -0.00 0.05 0.35 -0.75 4.63 4.28 1ci8A1 HIS 45 HB2 -0.00 0.08 -0.21 -0.04 3.26 3.09 1ci8A1 HIS 45 HB3 -0.00 -0.02 0.24 -0.04 3.20 3.38 1ci8A1 HIS 45 HD2 -0.01 -0.00 -0.10 -0.04 6.97 6.82 1ci8A1 HIS 45 HE1 0.00 0.03 -0.04 -0.04 7.75 7.69 1ci8A1 GLY 46 H -0.00 0.08 -0.38 -0.55 8.43 7.58 1ci8A1 GLY 46 HA2 -0.00 -0.02 0.21 -0.51 4.01 3.69 1ci8A1 GLY 46 HA3 0.02 0.17 0.59 -0.51 4.01 4.28 1ci8A1 GLU 47 H 0.03 0.53 -0.35 -0.55 8.60 8.26 1ci8A1 GLU 47 HA 0.01 0.11 0.75 -0.75 4.29 4.41 1ci8A1 GLU 47 HB2 0.03 0.05 0.01 -0.04 2.09 2.13 1ci8A1 GLU 47 HB3 0.03 0.04 0.13 -0.04 1.99 2.14 1ci8A1 GLU 47 HG2 0.01 0.11 -0.20 -0.04 2.34 2.23 1ci8A1 GLU 47 HG3 0.01 -0.03 0.02 -0.04 2.34 2.30 1ci8A1 ILE 48 H -0.00 0.17 0.14 -0.55 8.25 8.01 1ci8A1 ILE 48 HA 0.00 0.06 0.64 -0.75 4.18 4.13 1ci8A1 ILE 48 HB -0.01 -0.00 0.11 -0.04 1.89 1.95 1ci8A1 ILE 48 HG12 -0.01 0.04 0.07 -0.04 1.49 1.55 1ci8A1 ILE 48 HG13 -0.02 -0.01 0.00 -0.04 1.21 1.14 1ci8A1 ILE 48 HG23 -0.01 -0.01 -0.21 -0.04 0.93 0.66 1ci8A1 ILE 48 HD13 -0.02 -0.01 -0.11 -0.04 0.88 0.70 1ci8A1 LEU 49 H 0.03 0.70 0.52 -0.55 8.37 9.08 1ci8A1 LEU 49 HA 0.04 0.15 0.85 -0.75 4.35 4.63 1ci8A1 LEU 49 HB2 0.04 0.01 0.05 -0.04 1.64 1.70 1ci8A1 LEU 49 HB3 0.04 -0.04 0.06 -0.04 1.64 1.66 1ci8A1 LEU 49 HG 0.01 0.06 -0.05 -0.04 1.64 1.62 1ci8A1 LEU 49 HD13 -0.00 -0.00 -0.07 -0.04 0.93 0.81 1ci8A1 LEU 49 HD23 0.02 0.02 -0.09 -0.04 0.89 0.80 1ci8A1 TYR 50 H 0.12 0.43 0.30 -0.55 8.29 8.58 1ci8A1 TYR 50 HA 0.00 0.13 0.70 -0.75 4.56 4.63 1ci8A1 TYR 50 HB2 0.01 0.08 -0.25 -0.04 3.06 2.86 1ci8A1 TYR 50 HB3 0.01 -0.08 0.05 -0.04 2.98 2.92 1ci8A1 TYR 50 HD2 0.04 0.01 -0.17 -0.04 7.15 6.99 1ci8A1 TYR 50 HE2 0.15 0.02 -0.05 -0.04 6.85 6.93 1ci8A1 ARG 51 H -0.30 0.26 -0.05 -0.55 8.46 7.81 1ci8A1 ARG 51 HA -0.12 0.20 0.79 -0.75 4.34 4.46 1ci8A1 ARG 51 HB2 -0.06 0.02 -0.06 -0.04 1.90 1.76 1ci8A1 ARG 51 HB3 -0.10 0.00 0.13 -0.04 1.80 1.80 1ci8A1 ARG 51 HG2 -0.09 -0.05 -0.06 -0.04 1.67 1.43 1ci8A1 ARG 51 HG3 -0.07 0.02 -0.02 -0.04 1.67 1.55 1ci8A1 ARG 51 HD2 -0.05 0.02 -0.03 -0.04 3.22 3.12 1ci8A1 ARG 51 HD3 -0.05 0.01 -0.01 -0.04 3.22 3.13 1ci8A1 ARG 52 H -0.34 0.67 0.22 -0.55 8.46 8.46 1ci8A1 ARG 52 HA -0.25 0.16 1.09 -0.75 4.34 4.58 1ci8A1 ARG 52 HB2 -1.19 -0.09 -0.11 -0.04 1.90 0.47 1ci8A1 ARG 52 HB3 -0.39 0.04 -0.11 -0.04 1.80 1.30 1ci8A1 ARG 52 HG2 -0.20 -0.03 0.19 -0.04 1.67 1.58 1ci8A1 ARG 52 HG3 -0.30 -0.01 0.00 -0.04 1.67 1.32 1ci8A1 ARG 52 HD2 -0.11 0.04 -0.05 -0.04 3.22 3.06 1ci8A1 ARG 52 HD3 -0.08 -0.00 0.03 -0.04 3.22 3.12 1ci8A1 ALA 53 H -0.15 0.13 0.15 -0.55 8.40 7.99 1ci8A1 ALA 53 HA -0.10 0.19 0.74 -0.75 4.34 4.42 1ci8A1 ALA 53 HB3 -0.06 -0.02 -0.27 -0.04 1.41 1.01 1ci8A1 GLN 54 H -0.12 0.73 0.33 -0.55 8.47 8.87 1ci8A1 GLN 54 HA -0.13 0.13 0.81 -0.75 4.36 4.41 1ci8A1 GLN 54 HB2 -0.42 -0.06 -0.02 -0.04 2.15 1.61 1ci8A1 GLN 54 HB3 -0.23 0.00 -0.08 -0.04 2.02 1.67 1ci8A1 GLN 54 HG2 -0.45 0.03 -0.86 -0.04 2.40 1.08 1ci8A1 GLN 54 HG3 -1.64 -0.03 -0.24 -0.04 2.39 0.44 1ci8A1 GLN 54 HE21 0.15 -0.01 -0.05 -0.04 6.97 7.02 1ci8A1 GLN 54 HE22 -0.01 -0.02 -0.17 -0.04 7.69 7.45 1ci8A1 GLY 55 H -0.05 0.13 0.13 -0.55 8.43 8.10 1ci8A1 GLY 55 HA2 -0.02 0.05 0.39 -0.51 4.01 3.91 1ci8A1 GLY 55 HA3 -0.02 0.25 0.69 -0.51 4.01 4.42 1ci8A1 LEU 56 H -0.03 0.61 0.23 -0.55 8.37 8.63 1ci8A1 LEU 56 HA -0.02 0.04 1.02 -0.75 4.35 4.64 1ci8A1 LEU 56 HB2 -0.05 -0.01 -0.10 -0.04 1.64 1.45 1ci8A1 LEU 56 HB3 -0.01 0.01 -0.37 -0.04 1.64 1.23 1ci8A1 LEU 56 HG -0.03 -0.07 -0.28 -0.04 1.64 1.22 1ci8A1 LEU 56 HD13 -0.03 0.01 -0.04 -0.04 0.93 0.83 1ci8A1 LEU 56 HD23 -0.02 0.01 -0.35 -0.04 0.89 0.48 1ci8A1 ALA 57 H -0.01 0.58 0.03 -0.55 8.40 8.46 1ci8A1 ALA 57 HA -0.00 0.06 0.62 -0.75 4.34 4.26 1ci8A1 ALA 57 HB3 -0.05 0.03 -0.10 -0.04 1.41 1.25 1ci8A1 ASP 58 H 0.02 0.53 0.01 -0.55 8.40 8.42 1ci8A1 ASP 58 HA 0.14 0.16 0.75 -0.75 4.63 4.93 1ci8A1 ASP 58 HB2 0.02 0.18 -0.07 -0.04 2.71 2.79 1ci8A1 ASP 58 HB3 0.02 -0.09 0.16 -0.04 2.70 2.74 1ci8A1 ARG 59 H 0.20 0.26 -0.03 -0.55 8.46 8.34 1ci8A1 ARG 59 HA -0.01 0.11 0.37 -0.75 4.34 4.07 1ci8A1 ARG 59 HB2 -0.17 0.06 0.05 -0.04 1.90 1.79 1ci8A1 ARG 59 HB3 0.03 -0.03 0.09 -0.04 1.80 1.85 1ci8A1 ARG 59 HG2 -0.01 0.01 -0.28 -0.04 1.67 1.34 1ci8A1 ARG 59 HG3 -0.06 0.02 0.00 -0.04 1.67 1.60 1ci8A1 ARG 59 HD2 -0.07 0.03 -0.03 -0.04 3.22 3.10 1ci8A1 ARG 59 HD3 -0.20 0.02 -0.01 -0.04 3.22 2.99 1ci8A1 GLU 60 H 0.12 0.09 -0.06 -0.55 8.60 8.20 1ci8A1 GLU 60 HA 0.03 0.14 0.35 -0.75 4.29 4.05 1ci8A1 GLU 60 HB2 0.04 -0.04 0.04 -0.04 2.09 2.09 1ci8A1 GLU 60 HB3 0.02 0.05 0.00 -0.04 1.99 2.02 1ci8A1 GLU 60 HG2 0.03 0.03 0.02 -0.04 2.34 2.38 1ci8A1 GLU 60 HG3 0.04 0.05 0.02 -0.04 2.34 2.41 1ci8A1 ALA 61 H 0.03 0.02 -0.44 -0.55 8.40 7.46 1ci8A1 ALA 61 HA -0.00 0.18 0.68 -0.75 4.34 4.44 1ci8A1 ALA 61 HB3 -0.00 -0.01 0.02 -0.04 1.41 1.38 1ci8A1 GLY 62 H 0.01 0.23 -0.42 -0.55 8.43 7.70 1ci8A1 GLY 62 HA2 -0.00 0.03 0.30 -0.51 4.01 3.83 1ci8A1 GLY 62 HA3 -0.01 0.03 0.40 -0.51 4.01 3.92 1ci8A1 ARG 63 H 0.00 0.24 -0.13 -0.55 8.46 8.01 1ci8A1 ARG 63 HA -0.01 0.21 0.68 -0.75 4.34 4.46 1ci8A1 ARG 63 HB2 -0.01 0.03 -0.00 -0.04 1.90 1.88 1ci8A1 ARG 63 HB3 -0.00 -0.18 0.13 -0.04 1.80 1.71 1ci8A1 ARG 63 HG2 -0.02 -0.01 -0.19 -0.04 1.67 1.41 1ci8A1 ARG 63 HG3 -0.02 0.06 -0.00 -0.04 1.67 1.67 1ci8A1 ARG 63 HD2 -0.02 0.07 -0.00 -0.04 3.22 3.22 1ci8A1 ARG 63 HD3 -0.02 -0.04 -0.00 -0.04 3.22 3.12 1ci8A1 PRO 64 HA -0.02 0.03 0.63 -0.51 4.44 4.57 1ci8A1 PRO 64 HB2 -0.03 0.15 0.04 -0.04 2.28 2.40 1ci8A1 PRO 64 HB3 -0.02 0.02 0.09 -0.04 2.02 2.06 1ci8A1 PRO 64 HG2 -0.02 -0.01 -0.00 -0.04 2.03 1.95 1ci8A1 PRO 64 HG3 -0.02 0.02 0.07 -0.04 2.03 2.05 1ci8A1 PRO 64 HD2 -0.02 0.04 0.25 -0.04 3.68 3.91 1ci8A1 PRO 64 HD3 -0.02 0.31 0.24 -0.04 3.65 4.14 1ci8A1 MET 65 H -0.02 0.57 0.11 -0.55 8.47 8.57 1ci8A1 MET 65 HA -0.04 0.04 0.38 -0.75 4.52 4.14 1ci8A1 MET 65 HB2 -0.00 0.00 -0.43 -0.04 2.15 1.68 1ci8A1 MET 65 HB3 -0.03 -0.05 -0.25 -0.04 2.03 1.67 1ci8A1 MET 65 HG2 0.07 0.07 -0.18 -0.04 2.63 2.55 1ci8A1 MET 65 HG3 0.04 0.03 -0.19 -0.04 2.56 2.40 1ci8A1 MET 65 HE3 0.11 0.03 -0.33 -0.04 2.10 1.87 1ci8A1 ARG 66 H -0.04 0.19 0.14 -0.55 8.46 8.20 1ci8A1 ARG 66 HA -0.04 0.19 0.74 -0.75 4.34 4.48 1ci8A1 ARG 66 HB2 -0.05 0.03 0.02 -0.04 1.90 1.86 1ci8A1 ARG 66 HB3 -0.04 -0.14 0.02 -0.04 1.80 1.60 1ci8A1 ARG 66 HG2 -0.04 0.19 -0.36 -0.04 1.67 1.42 1ci8A1 ARG 66 HG3 -0.04 0.01 -0.07 -0.04 1.67 1.54 1ci8A1 ARG 66 HD2 -0.03 -0.07 0.02 -0.04 3.22 3.10 1ci8A1 ARG 66 HD3 -0.04 0.03 0.11 -0.04 3.22 3.28 1ci8A1 GLU 67 H -0.04 0.22 0.11 -0.55 8.60 8.34 1ci8A1 GLU 67 HA -0.02 0.08 0.34 -0.75 4.29 3.93 1ci8A1 GLU 67 HB2 -0.04 0.01 0.03 -0.04 2.09 2.05 1ci8A1 GLU 67 HB3 -0.05 0.01 0.01 -0.04 1.99 1.92 1ci8A1 GLU 67 HG2 -0.07 0.11 0.01 -0.04 2.34 2.35 1ci8A1 GLU 67 HG3 -0.08 -0.06 -0.02 -0.04 2.34 2.14 1ci8A1 ASP 68 H -0.03 0.06 -0.38 -0.55 8.40 7.50 1ci8A1 ASP 68 HA -0.01 0.07 0.78 -0.75 4.63 4.72 1ci8A1 ASP 68 HB2 -0.03 0.01 0.10 -0.04 2.71 2.76 1ci8A1 ASP 68 HB3 -0.03 -0.01 -0.02 -0.04 2.70 2.59 1ci8A1 THR 69 H -0.01 0.38 -0.35 -0.55 8.28 7.75 1ci8A1 THR 69 HA -0.16 0.15 0.51 -0.75 4.39 4.14 1ci8A1 THR 69 HB -0.12 -0.01 0.02 -0.04 4.32 4.17 1ci8A1 THR 69 HG23 -0.49 0.08 -0.19 -0.04 1.22 0.57 1ci8A1 LEU 70 H -0.39 0.62 0.25 -0.55 8.37 8.30 1ci8A1 LEU 70 HA -0.19 0.13 0.56 -0.75 4.35 4.10 1ci8A1 LEU 70 HB2 -1.46 -0.03 -0.18 -0.04 1.64 -0.07 1ci8A1 LEU 70 HB3 -0.95 -0.05 -0.11 -0.04 1.64 0.49 1ci8A1 LEU 70 HG -0.25 0.07 -0.03 -0.04 1.64 1.39 1ci8A1 LEU 70 HD13 -0.14 -0.02 -0.12 -0.04 0.93 0.61 1ci8A1 LEU 70 HD23 -0.02 0.01 -0.14 -0.04 0.89 0.70 1ci8A1 PHE 71 H 0.05 0.58 0.28 -0.55 8.34 8.70 1ci8A1 PHE 71 HA -0.01 0.16 0.91 -0.75 4.62 4.93 1ci8A1 PHE 71 HB2 -0.11 0.02 -0.07 -0.04 3.15 2.95 1ci8A1 PHE 71 HB3 0.05 0.09 -0.16 -0.04 3.06 3.01 1ci8A1 PHE 71 HD2 0.04 0.14 -0.19 -0.04 7.28 7.23 1ci8A1 PHE 71 HE2 0.01 -0.03 -0.33 -0.04 7.38 6.99 1ci8A1 PHE 71 HZ -0.01 -0.05 -0.25 -0.04 7.32 6.97 1ci8A1 ARG 72 H 0.12 0.23 0.13 -0.55 8.46 8.39 1ci8A1 ARG 72 HA 0.19 0.13 0.73 -0.75 4.34 4.63 1ci8A1 ARG 72 HB2 -0.81 -0.02 0.21 -0.04 1.90 1.24 1ci8A1 ARG 72 HB3 -0.18 0.01 0.10 -0.04 1.80 1.69 1ci8A1 ARG 72 HG2 -0.20 0.02 0.04 -0.04 1.67 1.48 1ci8A1 ARG 72 HG3 -0.01 -0.01 0.04 -0.04 1.67 1.65 1ci8A1 ARG 72 HD2 -0.76 0.01 0.11 -0.04 3.22 2.54 1ci8A1 ARG 72 HD3 -0.51 -0.05 0.07 -0.04 3.22 2.69 1ci8A1 LEU 73 H 0.17 0.61 0.24 -0.55 8.37 8.84 1ci8A1 LEU 73 HA 0.30 0.10 0.34 -0.75 4.35 4.34 1ci8A1 LEU 73 HB2 0.09 0.04 -0.17 -0.04 1.64 1.56 1ci8A1 LEU 73 HB3 0.10 -0.12 -0.17 -0.04 1.64 1.41 1ci8A1 LEU 73 HG 0.04 0.01 -0.37 -0.04 1.64 1.28 1ci8A1 LEU 73 HD13 -0.08 -0.00 -0.36 -0.04 0.93 0.44 1ci8A1 LEU 73 HD23 -0.06 -0.01 -0.27 -0.04 0.89 0.50 1ci8A1 ALA 74 H 0.34 0.24 -0.15 -0.55 8.40 8.28 1ci8A1 ALA 74 HA 0.28 0.23 0.45 -0.75 4.34 4.55 1ci8A1 ALA 74 HB3 0.31 0.02 0.22 -0.04 1.41 1.92 1ci8A1 SER 75 H 0.29 -0.06 0.42 -0.55 8.46 8.56 1ci8A1 SER 75 HA 0.36 0.31 0.44 -0.75 4.49 4.85 1ci8A1 SER 75 HB2 0.42 0.08 0.28 -0.04 3.95 4.69 1ci8A1 SER 75 HB3 0.77 0.00 0.31 -0.04 3.93 4.97 1ci8A1 VAL 76 H 0.34 0.52 -0.56 -0.55 8.24 7.99 1ci8A1 VAL 76 HA 0.44 0.12 0.43 -0.75 4.13 4.36 1ci8A1 VAL 76 HB 0.15 -0.02 -0.06 -0.04 2.12 2.15 1ci8A1 VAL 76 HG13 -0.02 -0.01 -0.06 -0.04 0.97 0.84 1ci8A1 VAL 76 HG23 0.38 0.01 -0.19 -0.04 0.95 1.11 1ci8A1 THR 77 H 0.23 0.39 -0.45 -0.55 8.28 7.90 1ci8A1 THR 77 HA 0.03 0.02 0.29 -0.75 4.39 3.98 1ci8A1 THR 77 HB 0.18 0.10 -0.33 -0.04 4.32 4.23 1ci8A1 THR 77 HG23 0.08 0.03 -0.20 -0.04 1.22 1.09 1ci8A1 LYS 78 H 0.29 0.31 -0.29 -0.55 8.42 8.18 1ci8A1 LYS 78 HA 0.19 0.04 0.39 -0.75 4.32 4.19 1ci8A1 LYS 78 HB2 0.40 0.24 0.19 -0.04 1.87 2.66 1ci8A1 LYS 78 HB3 0.30 0.01 0.01 -0.04 1.79 2.06 1ci8A1 LYS 78 HG2 0.28 -0.13 0.12 -0.04 1.46 1.70 1ci8A1 LYS 78 HG3 0.38 0.09 0.21 -0.04 1.46 2.10 1ci8A1 LYS 78 HD2 0.62 0.07 0.12 -0.04 1.69 2.47 1ci8A1 LYS 78 HD3 0.50 0.03 0.04 -0.04 1.68 2.21 1ci8A1 LYS 78 HE2 0.42 0.02 0.10 -0.04 2.99 3.50 1ci8A1 LYS 78 HE3 0.33 -0.23 0.10 -0.04 2.99 3.14 1ci8A1 PRO 79 HA 0.12 0.07 0.52 -0.51 4.44 4.64 1ci8A1 PRO 79 HB2 -0.12 -0.00 -0.08 -0.04 2.28 2.04 1ci8A1 PRO 79 HB3 0.09 0.10 0.07 -0.04 2.02 2.25 1ci8A1 PRO 79 HG2 -0.04 0.12 -0.00 -0.04 2.03 2.07 1ci8A1 PRO 79 HG3 0.03 -0.00 0.00 -0.04 2.03 2.02 1ci8A1 PRO 79 HD2 0.32 0.09 -0.14 -0.04 3.68 3.91 1ci8A1 PRO 79 HD3 0.42 0.21 0.12 -0.04 3.65 4.37 1ci8A1 ILE 80 H 0.04 0.29 -0.45 -0.55 8.25 7.58 1ci8A1 ILE 80 HA -0.00 0.07 0.35 -0.75 4.18 3.84 1ci8A1 ILE 80 HB -0.01 0.12 0.10 -0.04 1.89 2.06 1ci8A1 ILE 80 HG12 -0.09 -0.02 -0.07 -0.04 1.49 1.27 1ci8A1 ILE 80 HG13 -0.07 0.13 -0.02 -0.04 1.21 1.21 1ci8A1 ILE 80 HG23 -0.02 -0.02 -0.13 -0.04 0.93 0.72 1ci8A1 ILE 80 HD13 -0.10 -0.03 -0.11 -0.04 0.88 0.59 1ci8A1 VAL 81 H 0.09 0.66 0.05 -0.55 8.24 8.49 1ci8A1 VAL 81 HA 0.09 -0.02 0.42 -0.75 4.13 3.86 1ci8A1 VAL 81 HB 0.12 0.16 0.13 -0.04 2.12 2.48 1ci8A1 VAL 81 HG13 0.07 -0.04 -0.08 -0.04 0.97 0.88 1ci8A1 VAL 81 HG23 0.20 -0.01 0.01 -0.04 0.95 1.11 1ci8A1 ALA 82 H 0.09 0.78 -0.13 -0.55 8.40 8.59 1ci8A1 ALA 82 HA 0.02 -0.06 0.42 -0.75 4.34 3.96 1ci8A1 ALA 82 HB3 0.10 0.06 0.15 -0.04 1.41 1.68 1ci8A1 LEU 83 H 0.07 0.56 -0.24 -0.55 8.37 8.22 1ci8A1 LEU 83 HA 0.10 -0.01 0.34 -0.75 4.35 4.03 1ci8A1 LEU 83 HB2 0.10 0.15 0.14 -0.04 1.64 1.99 1ci8A1 LEU 83 HB3 0.29 -0.01 -0.07 -0.04 1.64 1.81 1ci8A1 LEU 83 HG 0.07 0.14 0.03 -0.04 1.64 1.84 1ci8A1 LEU 83 HD13 -0.04 -0.01 -0.08 -0.04 0.93 0.76 1ci8A1 LEU 83 HD23 0.23 -0.02 -0.08 -0.04 0.89 0.98 1ci8A1 ALA 84 H 0.06 0.34 -0.36 -0.55 8.40 7.89 1ci8A1 ALA 84 HA 0.03 0.07 0.34 -0.75 4.34 4.03 1ci8A1 ALA 84 HB3 0.03 0.04 0.04 -0.04 1.41 1.48 1ci8A1 VAL 85 H -0.02 0.55 -0.13 -0.55 8.24 8.08 1ci8A1 VAL 85 HA -0.12 -0.01 0.34 -0.75 4.13 3.59 1ci8A1 VAL 85 HB -0.07 0.22 0.17 -0.04 2.12 2.40 1ci8A1 VAL 85 HG13 -0.18 -0.03 -0.14 -0.04 0.97 0.58 1ci8A1 VAL 85 HG23 -0.09 0.06 0.01 -0.04 0.95 0.89 1ci8A1 LEU 86 H -0.03 0.65 -0.13 -0.55 8.37 8.32 1ci8A1 LEU 86 HA -0.06 -0.08 0.37 -0.75 4.35 3.82 1ci8A1 LEU 86 HB2 0.03 0.16 0.09 -0.04 1.64 1.87 1ci8A1 LEU 86 HB3 0.02 -0.07 -0.04 -0.04 1.64 1.51 1ci8A1 LEU 86 HG -0.00 0.23 0.03 -0.04 1.64 1.85 1ci8A1 LEU 86 HD13 0.14 -0.01 -0.13 -0.04 0.93 0.89 1ci8A1 LEU 86 HD23 -0.04 -0.04 -0.05 -0.04 0.89 0.72 1ci8A1 ARG 87 H -0.06 0.54 -0.30 -0.55 8.46 8.09 1ci8A1 ARG 87 HA -0.16 0.04 0.53 -0.75 4.34 4.00 1ci8A1 ARG 87 HB2 -0.08 0.09 0.17 -0.04 1.90 2.04 1ci8A1 ARG 87 HB3 -0.15 -0.03 0.08 -0.04 1.80 1.65 1ci8A1 ARG 87 HG2 -0.20 0.03 0.06 -0.04 1.67 1.51 1ci8A1 ARG 87 HG3 -0.11 0.07 -0.01 -0.04 1.67 1.58 1ci8A1 ARG 87 HD2 -0.54 -0.05 0.13 -0.04 3.22 2.71 1ci8A1 ARG 87 HD3 -1.83 -0.04 0.04 -0.04 3.22 1.35 1ci8A1 LEU 88 H -0.08 0.47 -0.17 -0.55 8.37 8.04 1ci8A1 LEU 88 HA -0.06 0.07 0.41 -0.75 4.35 4.01 1ci8A1 LEU 88 HB2 -0.13 0.15 0.10 -0.04 1.64 1.72 1ci8A1 LEU 88 HB3 -0.11 -0.10 -0.10 -0.04 1.64 1.28 1ci8A1 LEU 88 HG -0.07 0.13 0.00 -0.04 1.64 1.65 1ci8A1 LEU 88 HD13 -0.13 -0.02 -0.08 -0.04 0.93 0.66 1ci8A1 LEU 88 HD23 -0.05 0.00 -0.07 -0.04 0.89 0.74 1ci8A1 VAL 89 H -0.08 0.41 -0.30 -0.55 8.24 7.72 1ci8A1 VAL 89 HA -0.04 0.16 0.41 -0.75 4.13 3.92 1ci8A1 VAL 89 HB -0.05 0.19 0.16 -0.04 2.12 2.38 1ci8A1 VAL 89 HG13 -0.01 -0.03 -0.12 -0.04 0.97 0.77 1ci8A1 VAL 89 HG23 -0.10 -0.00 -0.25 -0.04 0.95 0.55 1ci8A1 ALA 90 H -0.05 0.63 -0.04 -0.55 8.40 8.40 1ci8A1 ALA 90 HA -0.02 -0.08 0.37 -0.75 4.34 3.86 1ci8A1 ALA 90 HB3 -0.07 0.03 0.18 -0.04 1.41 1.51 1ci8A1 ARG 91 H -0.04 0.31 -0.47 -0.55 8.46 7.71 1ci8A1 ARG 91 HA -0.02 0.08 0.67 -0.75 4.34 4.32 1ci8A1 ARG 91 HB2 -0.02 0.00 0.08 -0.04 1.90 1.91 1ci8A1 ARG 91 HB3 -0.01 -0.05 0.15 -0.04 1.80 1.85 1ci8A1 ARG 91 HG2 -0.03 -0.05 0.03 -0.04 1.67 1.57 1ci8A1 ARG 91 HG3 -0.06 0.14 0.04 -0.04 1.67 1.75 1ci8A1 ARG 91 HD2 -0.04 -0.02 -0.05 -0.04 3.22 3.07 1ci8A1 ARG 91 HD3 -0.02 -0.05 0.00 -0.04 3.22 3.12 1ci8A1 GLY 92 H -0.00 0.63 -0.27 -0.55 8.43 8.24 1ci8A1 GLY 92 HA2 0.03 0.03 0.39 -0.51 4.01 3.95 1ci8A1 GLY 92 HA3 0.03 0.01 0.45 -0.51 4.01 3.98 1ci8A1 GLU 93 H 0.01 0.40 -0.13 -0.55 8.60 8.33 1ci8A1 GLU 93 HA 0.09 0.08 0.57 -0.75 4.29 4.28 1ci8A1 GLU 93 HB2 -0.01 0.03 0.09 -0.04 2.09 2.17 1ci8A1 GLU 93 HB3 -0.03 -0.11 -0.18 -0.04 1.99 1.64 1ci8A1 GLU 93 HG2 0.01 -0.01 -0.04 -0.04 2.34 2.26 1ci8A1 GLU 93 HG3 0.08 0.01 0.09 -0.04 2.34 2.48 1ci8A1 LEU 94 H -0.01 0.36 -0.14 -0.55 8.37 8.04 1ci8A1 LEU 94 HA 0.08 0.17 0.58 -0.75 4.35 4.43 1ci8A1 LEU 94 HB2 -0.18 -0.02 -0.25 -0.04 1.64 1.15 1ci8A1 LEU 94 HB3 -0.34 -0.09 -0.05 -0.04 1.64 1.13 1ci8A1 LEU 94 HG -0.34 0.01 -0.32 -0.04 1.64 0.95 1ci8A1 LEU 94 HD13 -0.37 0.01 -0.07 -0.04 0.93 0.45 1ci8A1 LEU 94 HD23 -1.45 0.05 -0.02 -0.04 0.89 -0.57 1ci8A1 ALA 95 H 0.14 0.26 0.10 -0.55 8.40 8.35 1ci8A1 ALA 95 HA 0.05 0.20 0.78 -0.75 4.34 4.61 1ci8A1 ALA 95 HB3 0.13 0.03 -0.03 -0.04 1.41 1.50 1ci8A1 LEU 96 H 0.02 0.25 0.11 -0.55 8.37 8.21 1ci8A1 LEU 96 HA -0.03 0.05 0.37 -0.75 4.35 3.99 1ci8A1 LEU 96 HB2 0.04 0.02 0.10 -0.04 1.64 1.76 1ci8A1 LEU 96 HB3 0.08 0.01 0.01 -0.04 1.64 1.70 1ci8A1 LEU 96 HG 0.01 0.01 0.04 -0.04 1.64 1.66 1ci8A1 LEU 96 HD13 0.19 0.02 -0.02 -0.04 0.93 1.08 1ci8A1 LEU 96 HD23 -0.20 0.01 -0.07 -0.04 0.89 0.59 1ci8A1 ASP 97 H 0.04 0.11 -0.23 -0.55 8.40 7.78 1ci8A1 ASP 97 HA 0.01 0.16 0.98 -0.75 4.63 5.02 1ci8A1 ASP 97 HB2 0.00 0.04 0.12 -0.04 2.71 2.83 1ci8A1 ASP 97 HB3 -0.02 0.00 -0.02 -0.04 2.70 2.62 1ci8A1 ALA 98 H 0.13 0.23 -0.32 -0.55 8.40 7.89 1ci8A1 ALA 98 HA 0.09 0.13 0.53 -0.75 4.34 4.33 1ci8A1 ALA 98 HB3 0.33 0.03 0.08 -0.04 1.41 1.81 1ci8A1 PRO 99 HA 0.14 0.20 0.47 -0.51 4.44 4.74 1ci8A1 PRO 99 HB2 0.06 -0.05 0.07 -0.04 2.28 2.32 1ci8A1 PRO 99 HB3 0.06 0.07 0.11 -0.04 2.02 2.21 1ci8A1 PRO 99 HG2 -0.07 -0.12 0.09 -0.04 2.03 1.90 1ci8A1 PRO 99 HG3 -0.03 0.11 0.07 -0.04 2.03 2.14 1ci8A1 PRO 99 HD2 -0.03 0.09 0.23 -0.04 3.68 3.93 1ci8A1 PRO 99 HD3 0.03 0.20 0.23 -0.04 3.65 4.06 1ci8A1 VAL 100 H 0.18 0.83 0.42 -0.55 8.24 9.12 1ci8A1 VAL 100 HA 0.35 0.03 0.37 -0.75 4.13 4.13 1ci8A1 VAL 100 HB 0.14 0.02 0.05 -0.04 2.12 2.28 1ci8A1 VAL 100 HG13 0.28 0.03 0.06 -0.04 0.97 1.30 1ci8A1 VAL 100 HG23 -0.00 -0.03 0.02 -0.04 0.95 0.89 1ci8A1 THR 101 H 0.12 0.06 -0.36 -0.55 8.28 7.55 1ci8A1 THR 101 HA 0.10 0.17 -0.08 -0.75 4.39 3.83 1ci8A1 THR 101 HB 0.01 0.03 -0.03 -0.04 4.32 4.29 1ci8A1 THR 101 HG23 0.07 0.03 -0.06 -0.04 1.22 1.22 1ci8A1 ARG 102 H -0.09 0.44 -0.43 -0.55 8.46 7.83 1ci8A1 ARG 102 HA -0.35 0.04 0.31 -0.75 4.34 3.60 1ci8A1 ARG 102 HB2 -0.55 -0.07 0.08 -0.04 1.90 1.33 1ci8A1 ARG 102 HB3 -1.51 0.08 0.04 -0.04 1.80 0.37 1ci8A1 ARG 102 HG2 -1.99 0.05 -0.17 -0.04 1.67 -0.47 1ci8A1 ARG 102 HG3 -0.69 -0.01 0.06 -0.04 1.67 0.99 1ci8A1 ARG 102 HD2 -0.43 -0.05 0.01 -0.04 3.22 2.70 1ci8A1 ARG 102 HD3 -1.01 -0.05 -0.02 -0.04 3.22 2.09 1ci8A1 TRP 103 H 0.18 0.19 -0.35 -0.55 7.97 7.44 1ci8A1 TRP 103 HA -0.01 0.20 0.85 -0.75 4.62 4.91 1ci8A1 TRP 103 HB2 -0.02 -0.01 0.08 -0.04 3.23 3.23 1ci8A1 TRP 103 HB3 -0.02 -0.03 0.07 -0.04 3.23 3.20 1ci8A1 TRP 103 HD1 -0.01 0.01 -0.09 -0.04 7.22 7.08 1ci8A1 TRP 103 HE1 -0.01 0.16 0.03 -0.04 10.20 10.34 1ci8A1 TRP 103 HE3 -0.01 0.05 -0.00 -0.04 7.59 7.58 1ci8A1 TRP 103 HZ2 -0.01 0.20 0.03 -0.04 7.44 7.62 1ci8A1 TRP 103 HZ3 -0.01 0.04 -0.26 -0.04 7.13 6.86 1ci8A1 TRP 103 HH2 -0.01 -0.16 0.01 -0.04 7.19 6.99 1ci8A1 LEU 104 H 0.20 0.55 0.12 -0.55 8.37 8.70 1ci8A1 LEU 104 HA 0.10 0.18 0.87 -0.75 4.35 4.74 1ci8A1 LEU 104 HB2 0.14 0.06 0.12 -0.04 1.64 1.92 1ci8A1 LEU 104 HB3 0.12 -0.11 0.10 -0.04 1.64 1.71 1ci8A1 LEU 104 HG 0.10 0.01 -0.16 -0.04 1.64 1.54 1ci8A1 LEU 104 HD13 -0.18 -0.01 0.00 -0.04 0.93 0.70 1ci8A1 LEU 104 HD23 0.04 0.07 -0.21 -0.04 0.89 0.75 1ci8A1 PRO 105 HA 0.01 0.12 0.34 -0.51 4.44 4.40 1ci8A1 PRO 105 HB2 0.01 -0.06 -0.01 -0.04 2.28 2.17 1ci8A1 PRO 105 HB3 -0.01 0.02 0.03 -0.04 2.02 2.01 1ci8A1 PRO 105 HG2 -0.00 -0.00 -0.01 -0.04 2.03 1.98 1ci8A1 PRO 105 HG3 -0.03 0.18 -0.04 -0.04 2.03 2.11 1ci8A1 PRO 105 HD2 0.04 0.00 0.04 -0.04 3.68 3.72 1ci8A1 PRO 105 HD3 0.04 0.31 -0.71 -0.04 3.65 3.26 1ci8A1 GLU 106 H 0.05 0.03 -0.36 -0.55 8.60 7.77 1ci8A1 GLU 106 HA 0.01 0.18 0.60 -0.75 4.29 4.32 1ci8A1 GLU 106 HB2 0.03 -0.05 0.01 -0.04 2.09 2.04 1ci8A1 GLU 106 HB3 0.02 -0.00 -0.06 -0.04 1.99 1.91 1ci8A1 GLU 106 HG2 -0.01 0.02 0.02 -0.04 2.34 2.33 1ci8A1 GLU 106 HG3 -0.00 0.04 -0.06 -0.04 2.34 2.28 1ci8A1 PHE 107 H 0.19 0.49 -0.21 -0.55 8.34 8.26 1ci8A1 PHE 107 HA -0.02 0.03 0.48 -0.75 4.62 4.36 1ci8A1 PHE 107 HB2 0.00 -0.10 0.08 -0.04 3.15 3.09 1ci8A1 PHE 107 HB3 0.02 0.03 0.16 -0.04 3.06 3.22 1ci8A1 PHE 107 HD2 -0.02 -0.01 -0.05 -0.04 7.28 7.16 1ci8A1 PHE 107 HE2 -0.04 -0.02 -0.02 -0.04 7.38 7.25 1ci8A1 PHE 107 HZ -0.05 -0.06 -0.12 -0.04 7.32 7.05 1ci8A1 ARG 108 H -0.26 0.29 0.15 -0.55 8.46 8.08 1ci8A1 ARG 108 HA -0.13 0.16 0.93 -0.75 4.34 4.55 1ci8A1 ARG 108 HB2 -0.09 0.00 0.11 -0.04 1.90 1.88 1ci8A1 ARG 108 HB3 -0.07 -0.02 0.07 -0.04 1.80 1.74 1ci8A1 ARG 108 HG2 -0.01 0.05 -0.36 -0.04 1.67 1.31 1ci8A1 ARG 108 HG3 -0.02 -0.00 -0.48 -0.04 1.67 1.12 1ci8A1 ARG 108 HD2 -0.03 -0.06 -0.01 -0.04 3.22 3.08 1ci8A1 ARG 108 HD3 -0.02 -0.06 -0.02 -0.04 3.22 3.07 1ci8A1 PRO 109 HA -0.24 0.44 0.52 -0.51 4.44 4.65 1ci8A1 PRO 109 HB2 -0.15 -0.05 -0.10 -0.04 2.28 1.94 1ci8A1 PRO 109 HB3 -0.21 0.12 0.03 -0.04 2.02 1.91 1ci8A1 PRO 109 HG2 -0.27 -0.09 -0.05 -0.04 2.03 1.59 1ci8A1 PRO 109 HG3 -1.08 -0.03 -0.01 -0.04 2.03 0.86 1ci8A1 PRO 109 HD2 -0.19 0.10 0.06 -0.04 3.68 3.61 1ci8A1 PRO 109 HD3 -0.76 0.05 -0.63 -0.04 3.65 2.26 1ci8A1 ARG 110 H -0.11 0.28 0.21 -0.55 8.46 8.28 1ci8A1 ARG 110 HA -0.06 0.29 1.13 -0.75 4.34 4.94 1ci8A1 ARG 110 HB2 -0.06 -0.05 -0.01 -0.04 1.90 1.75 1ci8A1 ARG 110 HB3 -0.04 -0.05 -0.12 -0.04 1.80 1.55 1ci8A1 ARG 110 HG2 -0.07 0.10 -0.44 -0.04 1.67 1.22 1ci8A1 ARG 110 HG3 -0.08 0.05 -0.12 -0.04 1.67 1.48 1ci8A1 ARG 110 HD2 -0.04 0.24 -0.20 -0.04 3.22 3.18 1ci8A1 ARG 110 HD3 -0.05 -0.06 -0.09 -0.04 3.22 2.97 1ci8A1 LEU 111 H -0.03 0.42 0.24 -0.55 8.37 8.45 1ci8A1 LEU 111 HA -0.04 0.16 0.60 -0.75 4.35 4.32 1ci8A1 LEU 111 HB2 -0.01 -0.14 0.06 -0.04 1.64 1.50 1ci8A1 LEU 111 HB3 -0.01 -0.05 0.08 -0.04 1.64 1.62 1ci8A1 LEU 111 HG -0.02 0.12 0.05 -0.04 1.64 1.74 1ci8A1 LEU 111 HD13 0.00 -0.01 -0.02 -0.04 0.93 0.86 1ci8A1 LEU 111 HD23 -0.01 0.00 -0.13 -0.04 0.89 0.70 1ci8A1 ALA 112 H -0.01 0.21 0.10 -0.55 8.40 8.15 1ci8A1 ALA 112 HA -0.02 0.15 0.30 -0.75 4.34 4.02 1ci8A1 ALA 112 HB3 -0.00 0.02 0.09 -0.04 1.41 1.48 1ci8A1 ASP 113 H -0.01 -0.07 -0.63 -0.55 8.40 7.14 1ci8A1 ASP 113 HA -0.00 0.11 0.39 -0.75 4.63 4.37 1ci8A1 ASP 113 HB2 -0.00 0.04 0.03 -0.04 2.71 2.74 1ci8A1 ASP 113 HB3 -0.00 -0.04 0.00 -0.04 2.70 2.62 1ci8A1 GLY 114 H -0.02 0.53 -0.23 -0.55 8.43 8.17 1ci8A1 GLY 114 HA2 -0.02 0.08 0.22 -0.51 4.01 3.77 1ci8A1 GLY 114 HA3 -0.02 0.15 0.55 -0.51 4.01 4.18 1ci8A1 SER 115 H -0.01 -0.08 -0.20 -0.55 8.46 7.62 1ci8A1 SER 115 HA -0.02 0.19 0.58 -0.75 4.49 4.48 1ci8A1 SER 115 HB2 -0.01 0.01 0.02 -0.04 3.95 3.93 1ci8A1 SER 115 HB3 -0.01 0.03 -0.03 -0.04 3.93 3.88 1ci8A1 GLU 116 H -0.02 0.12 0.10 -0.55 8.60 8.26 1ci8A1 GLU 116 HA -0.04 0.37 0.92 -0.75 4.29 4.80 1ci8A1 GLU 116 HB2 -0.02 -0.12 0.19 -0.04 2.09 2.10 1ci8A1 GLU 116 HB3 -0.02 0.04 0.04 -0.04 1.99 2.01 1ci8A1 GLU 116 HG2 -0.06 0.28 -0.14 -0.04 2.34 2.38 1ci8A1 GLU 116 HG3 -0.04 -0.06 -0.15 -0.04 2.34 2.05 1ci8A1 PRO 117 HA 0.01 0.01 0.47 -0.51 4.44 4.43 1ci8A1 PRO 117 HB2 -0.00 0.10 0.07 -0.04 2.28 2.40 1ci8A1 PRO 117 HB3 -0.00 -0.06 0.08 -0.04 2.02 1.99 1ci8A1 PRO 117 HG2 -0.03 0.06 -0.05 -0.04 2.03 1.97 1ci8A1 PRO 117 HG3 -0.03 -0.01 0.01 -0.04 2.03 1.96 1ci8A1 PRO 117 HD2 -0.04 0.43 0.31 -0.04 3.68 4.34 1ci8A1 PRO 117 HD3 -0.02 0.03 0.03 -0.04 3.65 3.64 1ci8A1 LEU 118 H 0.05 0.07 0.17 -0.55 8.37 8.11 1ci8A1 LEU 118 HA 0.07 0.09 0.57 -0.75 4.35 4.33 1ci8A1 LEU 118 HB2 0.12 -0.01 0.14 -0.04 1.64 1.84 1ci8A1 LEU 118 HB3 0.12 -0.02 -0.07 -0.04 1.64 1.62 1ci8A1 LEU 118 HG 0.05 0.00 0.09 -0.04 1.64 1.74 1ci8A1 LEU 118 HD13 0.06 0.00 0.02 -0.04 0.93 0.97 1ci8A1 LEU 118 HD23 0.04 0.02 0.01 -0.04 0.89 0.92 1ci8A1 VAL 119 H 0.13 0.16 0.19 -0.55 8.24 8.17 1ci8A1 VAL 119 HA 0.25 0.14 0.90 -0.75 4.13 4.66 1ci8A1 VAL 119 HB 0.17 -0.04 0.21 -0.04 2.12 2.42 1ci8A1 VAL 119 HG13 0.15 -0.01 -0.03 -0.04 0.97 1.03 1ci8A1 VAL 119 HG23 0.05 0.09 -0.14 -0.04 0.95 0.91 1ci8A1 THR 120 H 0.57 0.13 0.07 -0.55 8.28 8.49 1ci8A1 THR 120 HA 0.14 0.38 0.80 -0.75 4.39 4.96 1ci8A1 THR 120 HB 0.02 0.13 0.16 -0.04 4.32 4.59 1ci8A1 THR 120 HG23 0.06 0.04 -0.21 -0.04 1.22 1.07 1ci8A1 ILE 121 H 0.07 0.47 0.15 -0.55 8.25 8.39 1ci8A1 ILE 121 HA -0.05 0.02 0.41 -0.75 4.18 3.81 1ci8A1 ILE 121 HB -0.04 0.04 0.17 -0.04 1.89 2.01 1ci8A1 ILE 121 HG12 0.10 0.19 0.09 -0.04 1.49 1.83 1ci8A1 ILE 121 HG13 -0.18 -0.07 -0.02 -0.04 1.21 0.90 1ci8A1 ILE 121 HG23 -0.19 -0.01 -0.12 -0.04 0.93 0.57 1ci8A1 ILE 121 HD13 -0.19 -0.02 -0.07 -0.04 0.88 0.55 1ci8A1 HIS 122 H 0.04 0.55 0.05 -0.55 8.41 8.51 1ci8A1 HIS 122 HA -0.14 0.07 0.35 -0.75 4.63 4.15 1ci8A1 HIS 122 HB2 -0.02 -0.01 0.05 -0.04 3.26 3.25 1ci8A1 HIS 122 HB3 -0.15 -0.04 0.04 -0.04 3.20 3.01 1ci8A1 HIS 122 HD2 -0.07 -0.04 -0.26 -0.04 6.97 6.56 1ci8A1 HIS 122 HE1 0.16 0.05 -0.03 -0.04 7.75 7.89 1ci8A1 HIS 123 H -0.01 0.05 -0.34 -0.55 8.41 7.56 1ci8A1 HIS 123 HA 0.08 0.10 0.35 -0.75 4.63 4.39 1ci8A1 HIS 123 HB2 0.07 0.17 0.14 -0.04 3.26 3.61 1ci8A1 HIS 123 HB3 0.06 -0.07 -0.05 -0.04 3.20 3.10 1ci8A1 HIS 123 HD2 0.20 0.01 -0.10 -0.04 6.97 7.04 1ci8A1 HIS 123 HE1 0.09 0.07 -0.06 -0.04 7.75 7.81 1ci8A1 LEU 124 H 0.04 0.48 -0.21 -0.55 8.37 8.12 1ci8A1 LEU 124 HA -0.09 -0.09 0.48 -0.75 4.35 3.89 1ci8A1 LEU 124 HB2 -0.09 0.15 0.14 -0.04 1.64 1.80 1ci8A1 LEU 124 HB3 -0.13 -0.02 -0.03 -0.04 1.64 1.42 1ci8A1 LEU 124 HG 0.03 0.17 -0.00 -0.04 1.64 1.81 1ci8A1 LEU 124 HD13 -0.08 0.00 -0.06 -0.04 0.93 0.74 1ci8A1 LEU 124 HD23 -0.03 -0.04 -0.03 -0.04 0.89 0.75 1ci8A1 LEU 125 H -0.14 0.63 0.02 -0.55 8.37 8.33 1ci8A1 LEU 125 HA -0.12 -0.01 0.35 -0.75 4.35 3.82 1ci8A1 LEU 125 HB2 -0.31 0.02 0.14 -0.04 1.64 1.45 1ci8A1 LEU 125 HB3 -0.07 0.05 0.07 -0.04 1.64 1.65 1ci8A1 LEU 125 HG -0.20 -0.03 0.05 -0.04 1.64 1.42 1ci8A1 LEU 125 HD13 -0.54 -0.02 -0.08 -0.04 0.93 0.24 1ci8A1 LEU 125 HD23 -0.07 0.02 0.07 -0.04 0.89 0.87 1ci8A1 THR 126 H -0.05 0.37 -0.30 -0.55 8.28 7.75 1ci8A1 THR 126 HA 0.39 0.35 0.49 -0.75 4.39 4.86 1ci8A1 THR 126 HB 0.24 -0.04 -0.05 -0.04 4.32 4.42 1ci8A1 THR 126 HG23 0.00 0.02 -0.06 -0.04 1.22 1.14 1ci8A1 HIS 127 H -0.20 0.27 -0.44 -0.55 8.41 7.49 1ci8A1 HIS 127 HA -0.22 -0.11 0.36 -0.75 4.63 3.91 1ci8A1 HIS 127 HB2 -0.78 0.28 0.29 -0.04 3.26 3.02 1ci8A1 HIS 127 HB3 -0.88 0.10 0.16 -0.04 3.20 2.54 1ci8A1 HIS 127 HD2 -0.82 0.12 -0.25 -0.04 6.97 5.98 1ci8A1 HIS 127 HE1 -0.03 -0.04 0.10 -0.04 7.75 7.73 1ci8A1 THR 128 H 0.05 0.58 0.12 -0.55 8.28 8.48 1ci8A1 THR 128 HA 0.21 0.33 1.02 -0.75 4.39 5.19 1ci8A1 THR 128 HB 0.25 -0.14 0.26 -0.04 4.32 4.65 1ci8A1 THR 128 HG23 0.31 0.09 -0.14 -0.04 1.22 1.45 1ci8A1 SER 129 H 0.00 0.16 -0.05 -0.55 8.46 8.02 1ci8A1 SER 129 HA -0.12 0.07 0.58 -0.75 4.49 4.27 1ci8A1 SER 129 HB2 0.01 0.08 0.04 -0.04 3.95 4.04 1ci8A1 SER 129 HB3 0.05 -0.05 -0.18 -0.04 3.93 3.71 1ci8A1 GLY 130 H -0.24 0.15 -0.39 -0.55 8.43 7.41 1ci8A1 GLY 130 HA2 -1.73 0.03 0.12 -0.51 4.01 1.92 1ci8A1 GLY 130 HA3 -0.54 0.34 0.75 -0.51 4.01 4.05 1ci8A1 LEU 131 H -0.18 -0.07 -0.26 -0.55 8.37 7.31 1ci8A1 LEU 131 HA -0.05 0.18 0.39 -0.75 4.35 4.11 1ci8A1 LEU 131 HB2 -0.09 -0.09 -0.06 -0.04 1.64 1.36 1ci8A1 LEU 131 HB3 -0.02 -0.06 0.03 -0.04 1.64 1.55 1ci8A1 LEU 131 HG 0.01 0.01 -0.16 -0.04 1.64 1.47 1ci8A1 LEU 131 HD13 0.08 -0.02 -0.11 -0.04 0.93 0.84 1ci8A1 LEU 131 HD23 0.11 0.04 -0.14 -0.04 0.89 0.86 1ci8A1 GLY 132 H 0.07 0.12 0.08 -0.55 8.43 8.16 1ci8A1 GLY 132 HA2 -0.21 0.48 0.81 -0.51 4.01 4.59 1ci8A1 GLY 132 HA3 -0.32 0.02 0.31 -0.51 4.01 3.52 1ci8A1 TYR 133 H -0.20 0.34 0.26 -0.55 8.29 8.14 1ci8A1 TYR 133 HA 0.15 0.15 0.79 -0.75 4.56 4.90 1ci8A1 TYR 133 HB2 -0.07 0.17 -0.04 -0.04 3.06 3.08 1ci8A1 TYR 133 HB3 0.05 -0.25 -0.06 -0.04 2.98 2.68 1ci8A1 TYR 133 HD2 -0.15 0.00 -0.17 -0.04 7.15 6.79 1ci8A1 TYR 133 HE2 -0.72 0.06 -0.02 -0.04 6.85 6.13 1ci8A1 TRP 134 H 0.59 0.21 0.08 -0.55 7.97 8.30 1ci8A1 TRP 134 HA 0.13 0.05 0.35 -0.75 4.62 4.40 1ci8A1 TRP 134 HB2 0.22 0.17 -0.02 -0.04 3.23 3.57 1ci8A1 TRP 134 HB3 0.12 -0.07 0.07 -0.04 3.23 3.31 1ci8A1 TRP 134 HD1 0.13 0.10 -0.34 -0.04 7.22 7.06 1ci8A1 TRP 134 HE1 0.06 0.04 -0.12 -0.04 10.20 10.13 1ci8A1 TRP 134 HE3 -0.01 0.04 -0.41 -0.04 7.59 7.17 1ci8A1 TRP 134 HZ2 0.02 0.05 -0.13 -0.04 7.44 7.35 1ci8A1 TRP 134 HZ3 -0.03 0.12 -0.13 -0.04 7.13 7.06 1ci8A1 TRP 134 HH2 0.00 0.07 -0.10 -0.04 7.19 7.12 1ci8A1 LEU 135 H 0.32 0.05 -0.20 -0.55 8.37 7.99 1ci8A1 LEU 135 HA 0.28 0.08 0.46 -0.75 4.35 4.40 1ci8A1 LEU 135 HB2 0.07 0.07 0.08 -0.04 1.64 1.82 1ci8A1 LEU 135 HB3 0.11 -0.03 0.13 -0.04 1.64 1.81 1ci8A1 LEU 135 HG 0.07 -0.17 -0.08 -0.04 1.64 1.42 1ci8A1 LEU 135 HD13 0.08 0.06 -0.19 -0.04 0.93 0.83 1ci8A1 LEU 135 HD23 -0.36 -0.01 -0.01 -0.04 0.89 0.46 1ci8A1 LEU 136 H 0.01 0.23 -0.37 -0.55 8.37 7.69 1ci8A1 LEU 136 HA -0.02 0.10 0.44 -0.75 4.35 4.12 1ci8A1 LEU 136 HB2 -0.17 -0.01 0.13 -0.04 1.64 1.56 1ci8A1 LEU 136 HB3 -0.07 0.08 0.07 -0.04 1.64 1.67 1ci8A1 LEU 136 HG 0.02 -0.16 0.17 -0.04 1.64 1.62 1ci8A1 LEU 136 HD13 -0.14 0.07 0.12 -0.04 0.93 0.93 1ci8A1 LEU 136 HD23 0.09 0.04 0.01 -0.04 0.89 0.99 1ci8A1 GLU 137 H -0.27 0.08 -0.10 -0.55 8.60 7.76 1ci8A1 GLU 137 HA -0.18 0.26 0.92 -0.75 4.29 4.53 1ci8A1 GLU 137 HB2 -0.25 -0.12 0.07 -0.04 2.09 1.74 1ci8A1 GLU 137 HB3 -0.19 0.04 0.05 -0.04 1.99 1.85 1ci8A1 GLU 137 HG2 -0.11 0.12 -0.06 -0.04 2.34 2.25 1ci8A1 GLU 137 HG3 -0.15 -0.10 -0.36 -0.04 2.34 1.70 1ci8A1 GLY 138 H -0.76 0.51 0.25 -0.55 8.43 7.89 1ci8A1 GLY 138 HA2 -2.92 -0.00 0.31 -0.51 4.01 0.89 1ci8A1 GLY 138 HA3 -0.79 0.07 0.45 -0.51 4.01 3.22 1ci8A1 ALA 139 H -0.30 0.12 0.15 -0.55 8.40 7.83 1ci8A1 ALA 139 HA 0.07 -0.03 0.41 -0.75 4.34 4.03 1ci8A1 ALA 139 HB3 0.12 0.03 0.08 -0.04 1.41 1.59 1ci8A1 GLY 140 H 0.03 0.11 0.11 -0.55 8.43 8.14 1ci8A1 GLY 140 HA2 0.00 0.01 0.39 -0.51 4.01 3.91 1ci8A1 GLY 140 HA3 -0.04 0.20 0.77 -0.51 4.01 4.43 1ci8A1 SER 141 H -0.19 0.37 -0.62 -0.55 8.46 7.47 1ci8A1 SER 141 HA -0.08 0.13 0.19 -0.75 4.49 3.97 1ci8A1 SER 141 HB2 -0.15 -0.18 0.15 -0.04 3.95 3.73 1ci8A1 SER 141 HB3 -0.27 0.13 -0.08 -0.04 3.93 3.67 1ci8A1 VAL 142 H -0.01 0.16 0.16 -0.55 8.24 7.99 1ci8A1 VAL 142 HA 0.04 0.20 0.52 -0.75 4.13 4.13 1ci8A1 VAL 142 HB 0.13 -0.06 0.15 -0.04 2.12 2.30 1ci8A1 VAL 142 HG13 0.07 0.04 -0.05 -0.04 0.97 0.99 1ci8A1 VAL 142 HG23 0.01 0.03 0.06 -0.04 0.95 1.01 1ci8A1 TYR 143 H 0.27 0.08 -0.03 -0.55 8.29 8.05 1ci8A1 TYR 143 HA 0.07 0.17 0.28 -0.75 4.56 4.32 1ci8A1 TYR 143 HB2 0.01 -0.02 0.02 -0.04 3.06 3.03 1ci8A1 TYR 143 HB3 0.26 -0.01 -0.10 -0.04 2.98 3.09 1ci8A1 TYR 143 HD2 0.09 -0.13 -0.18 -0.04 7.15 6.89 1ci8A1 TYR 143 HE2 -0.02 0.14 -0.21 -0.04 6.85 6.72 1ci8A1 ASP 144 H 0.08 0.05 -0.56 -0.55 8.40 7.43 1ci8A1 ASP 144 HA 0.59 0.03 0.32 -0.75 4.63 4.82 1ci8A1 ASP 144 HB2 -0.07 0.14 -0.00 -0.04 2.71 2.73 1ci8A1 ASP 144 HB3 0.07 0.21 -0.13 -0.04 2.70 2.82 1ci8A1 ARG 145 H 0.09 0.45 -0.25 -0.55 8.46 8.20 1ci8A1 ARG 145 HA 0.07 -0.01 0.32 -0.75 4.34 3.96 1ci8A1 ARG 145 HB2 0.04 0.14 0.18 -0.04 1.90 2.22 1ci8A1 ARG 145 HB3 0.03 -0.03 0.01 -0.04 1.80 1.76 1ci8A1 ARG 145 HG2 0.03 -0.10 0.05 -0.04 1.67 1.61 1ci8A1 ARG 145 HG3 0.03 0.35 0.10 -0.04 1.67 2.11 1ci8A1 ARG 145 HD2 0.01 -0.03 0.02 -0.04 3.22 3.18 1ci8A1 ARG 145 HD3 0.01 -0.03 0.03 -0.04 3.22 3.18 1ci8A1 LEU 146 H 0.06 0.34 -0.31 -0.55 8.37 7.92 1ci8A1 LEU 146 HA -0.01 0.13 0.61 -0.75 4.35 4.32 1ci8A1 LEU 146 HB2 -0.08 -0.09 -0.03 -0.04 1.64 1.40 1ci8A1 LEU 146 HB3 -0.09 0.02 0.04 -0.04 1.64 1.57 1ci8A1 LEU 146 HG -0.01 0.02 -0.05 -0.04 1.64 1.56 1ci8A1 LEU 146 HD13 -0.10 0.01 -0.15 -0.04 0.93 0.65 1ci8A1 LEU 146 HD23 -0.04 0.01 -0.07 -0.04 0.89 0.74 1ci8A1 GLY 147 H 0.11 0.38 -0.49 -0.55 8.43 7.88 1ci8A1 GLY 147 HA2 0.13 0.00 0.26 -0.51 4.01 3.89 1ci8A1 GLY 147 HA3 0.06 0.00 0.30 -0.51 4.01 3.85 1ci8A1 ILE 148 H 0.14 0.46 -0.10 -0.55 8.25 8.20 1ci8A1 ILE 148 HA 0.07 0.10 0.50 -0.75 4.18 4.09 1ci8A1 ILE 148 HB 0.02 -0.12 0.00 -0.04 1.89 1.75 1ci8A1 ILE 148 HG12 -0.17 0.02 -0.30 -0.04 1.49 0.99 1ci8A1 ILE 148 HG13 -0.14 0.09 -0.33 -0.04 1.21 0.79 1ci8A1 ILE 148 HG23 -0.02 -0.01 -0.10 -0.04 0.93 0.76 1ci8A1 ILE 148 HD13 -0.78 0.03 -0.10 -0.04 0.88 -0.01 1ci8A1 SER 149 H 0.23 0.18 0.18 -0.55 8.46 8.50 1ci8A1 SER 149 HA 0.05 0.15 0.83 -0.75 4.49 4.76 1ci8A1 SER 149 HB2 0.18 0.16 -0.02 -0.04 3.95 4.22 1ci8A1 SER 149 HB3 0.33 0.04 0.11 -0.04 3.93 4.37 1ci8A1 ASP 150 H 0.02 0.17 0.16 -0.55 8.40 8.20 1ci8A1 ASP 150 HA 0.37 0.20 0.77 -0.75 4.63 5.21 1ci8A1 ASP 150 HB2 -0.04 -0.01 0.13 -0.04 2.71 2.75 1ci8A1 ASP 150 HB3 -0.07 0.08 0.17 -0.04 2.70 2.84 1ci8A1 GLY 151 H 0.09 0.04 -0.24 -0.55 8.43 7.77 1ci8A1 GLY 151 HA2 -0.04 0.11 0.25 -0.51 4.01 3.82 1ci8A1 GLY 151 HA3 0.12 0.06 0.42 -0.51 4.01 4.10 1ci8A1 ILE 152 H -0.07 -0.10 -0.16 -0.55 8.25 7.37 1ci8A1 ILE 152 HA 0.03 0.25 0.81 -0.75 4.18 4.52 1ci8A1 ILE 152 HB -0.24 -0.02 0.03 -0.04 1.89 1.61 1ci8A1 ILE 152 HG12 -0.05 0.01 -0.20 -0.04 1.49 1.20 1ci8A1 ILE 152 HG13 -0.20 -0.03 -0.03 -0.04 1.21 0.90 1ci8A1 ILE 152 HG23 -0.24 -0.01 -0.03 -0.04 0.93 0.60 1ci8A1 ILE 152 HD13 0.06 0.03 0.04 -0.04 0.88 0.97 1ci8A1 ASP 153 H -0.12 -0.22 0.08 -0.55 8.40 7.58 1ci8A1 ASP 153 HA -0.07 0.10 0.53 -0.75 4.63 4.44 1ci8A1 ASP 153 HB2 -0.13 0.03 0.01 -0.04 2.71 2.58 1ci8A1 ASP 153 HB3 -0.18 0.15 0.03 -0.04 2.70 2.66 1ci8A1 LEU 154 H -0.08 0.17 0.08 -0.55 8.37 7.99 1ci8A1 LEU 154 HA -0.15 0.19 0.87 -0.75 4.35 4.51 1ci8A1 LEU 154 HB2 -0.06 -0.05 0.01 -0.04 1.64 1.50 1ci8A1 LEU 154 HB3 -0.06 -0.02 0.11 -0.04 1.64 1.63 1ci8A1 LEU 154 HG -0.07 0.03 -0.22 -0.04 1.64 1.34 1ci8A1 LEU 154 HD13 -0.10 -0.00 0.03 -0.04 0.93 0.82 1ci8A1 LEU 154 HD23 -0.03 -0.01 -0.11 -0.04 0.89 0.69 1ci8A1 ARG 155 H -0.24 0.26 0.16 -0.55 8.46 8.09 1ci8A1 ARG 155 HA -0.17 0.19 0.89 -0.75 4.34 4.50 1ci8A1 ARG 155 HB2 -0.81 0.01 -0.00 -0.04 1.90 1.06 1ci8A1 ARG 155 HB3 -0.68 0.06 -0.03 -0.04 1.80 1.11 1ci8A1 ARG 155 HG2 -0.21 -0.13 -0.58 -0.04 1.67 0.70 1ci8A1 ARG 155 HG3 -0.20 -0.03 -0.15 -0.04 1.67 1.25 1ci8A1 ARG 155 HD2 -0.11 0.19 -0.16 -0.04 3.22 3.10 1ci8A1 ARG 155 HD3 -0.11 -0.09 -0.21 -0.04 3.22 2.77 1ci8A1 ASP 156 H -0.06 0.17 0.07 -0.55 8.40 8.03 1ci8A1 ASP 156 HA -0.04 0.21 0.72 -0.75 4.63 4.77 1ci8A1 ASP 156 HB2 0.00 -0.01 0.05 -0.04 2.71 2.71 1ci8A1 ASP 156 HB3 0.06 0.01 0.20 -0.04 2.70 2.93 1ci8A1 PHE 157 H -0.18 0.58 -0.10 -0.55 8.34 8.08 1ci8A1 PHE 157 HA 0.04 0.09 0.50 -0.75 4.62 4.49 1ci8A1 PHE 157 HB2 0.02 -0.10 0.12 -0.04 3.15 3.16 1ci8A1 PHE 157 HB3 0.03 0.17 -0.01 -0.04 3.06 3.21 1ci8A1 PHE 157 HD2 0.02 0.10 -0.25 -0.04 7.28 7.11 1ci8A1 PHE 157 HE2 0.04 -0.03 -0.05 -0.04 7.38 7.29 1ci8A1 PHE 157 HZ 0.05 0.10 -0.01 -0.04 7.32 7.42 1ci8A1 ASP 158 H 0.21 0.09 0.14 -0.55 8.40 8.30 1ci8A1 ASP 158 HA 0.22 0.30 0.90 -0.75 4.63 5.29 1ci8A1 ASP 158 HB2 0.07 -0.08 0.23 -0.04 2.71 2.89 1ci8A1 ASP 158 HB3 0.09 0.15 0.10 -0.04 2.70 3.00 1ci8A1 LEU 159 H 0.01 0.22 0.20 -0.55 8.37 8.25 1ci8A1 LEU 159 HA -0.86 0.10 0.41 -0.75 4.35 3.24 1ci8A1 LEU 159 HB2 -0.07 0.08 0.13 -0.04 1.64 1.74 1ci8A1 LEU 159 HB3 -0.07 -0.01 0.18 -0.04 1.64 1.70 1ci8A1 LEU 159 HG -0.13 -0.02 -0.23 -0.04 1.64 1.23 1ci8A1 LEU 159 HD13 -0.19 0.02 0.03 -0.04 0.93 0.75 1ci8A1 LEU 159 HD23 -0.04 0.06 0.03 -0.04 0.89 0.90 1ci8A1 ASP 160 H -0.04 0.13 -0.04 -0.55 8.40 7.90 1ci8A1 ASP 160 HA -0.04 0.10 0.38 -0.75 4.63 4.32 1ci8A1 ASP 160 HB2 -0.01 -0.03 0.07 -0.04 2.71 2.70 1ci8A1 ASP 160 HB3 -0.01 0.09 -0.00 -0.04 2.70 2.73 1ci8A1 GLU 161 H -0.01 0.09 -0.40 -0.55 8.60 7.73 1ci8A1 GLU 161 HA -0.09 0.12 0.47 -0.75 4.29 4.04 1ci8A1 GLU 161 HB2 -0.04 -0.01 0.07 -0.04 2.09 2.07 1ci8A1 GLU 161 HB3 0.06 0.06 0.09 -0.04 1.99 2.16 1ci8A1 GLU 161 HG2 -0.39 0.00 -0.03 -0.04 2.34 1.88 1ci8A1 GLU 161 HG3 -0.73 0.05 -0.34 -0.04 2.34 1.28 1ci8A1 ASN 162 H -0.04 0.39 -0.07 -0.55 8.53 8.26 1ci8A1 ASN 162 HA -0.07 0.13 0.49 -0.75 4.76 4.56 1ci8A1 ASN 162 HB2 0.07 0.05 0.09 -0.04 2.88 3.05 1ci8A1 ASN 162 HB3 -0.22 0.07 0.07 -0.04 2.79 2.67 1ci8A1 ASN 162 HD21 0.17 0.24 0.12 -0.04 7.03 7.51 1ci8A1 ASN 162 HD22 0.03 -0.01 -0.04 -0.04 7.74 7.67 1ci8A1 LEU 163 H -0.08 0.50 -0.21 -0.55 8.37 8.04 1ci8A1 LEU 163 HA 0.07 0.01 0.51 -0.75 4.35 4.18 1ci8A1 LEU 163 HB2 -0.00 0.09 0.08 -0.04 1.64 1.78 1ci8A1 LEU 163 HB3 0.09 -0.00 0.01 -0.04 1.64 1.69 1ci8A1 LEU 163 HG -0.12 0.15 -0.03 -0.04 1.64 1.60 1ci8A1 LEU 163 HD13 -0.17 0.01 -0.00 -0.04 0.93 0.72 1ci8A1 LEU 163 HD23 -0.11 -0.03 -0.13 -0.04 0.89 0.58 1ci8A1 ARG 164 H -0.03 0.38 -0.20 -0.55 8.46 8.06 1ci8A1 ARG 164 HA -0.01 0.06 0.39 -0.75 4.34 4.02 1ci8A1 ARG 164 HB2 -0.03 0.01 0.12 -0.04 1.90 1.96 1ci8A1 ARG 164 HB3 -0.07 0.06 0.19 -0.04 1.80 1.93 1ci8A1 ARG 164 HG2 -0.07 0.03 -0.15 -0.04 1.67 1.44 1ci8A1 ARG 164 HG3 -0.04 -0.00 0.01 -0.04 1.67 1.60 1ci8A1 ARG 164 HD2 -0.05 0.00 -0.03 -0.04 3.22 3.10 1ci8A1 ARG 164 HD3 -0.05 -0.06 -0.02 -0.04 3.22 3.06 1ci8A1 ARG 165 H -0.10 0.38 -0.32 -0.55 8.46 7.86 1ci8A1 ARG 165 HA -0.11 0.08 0.36 -0.75 4.34 3.91 1ci8A1 ARG 165 HB2 -0.12 0.00 0.06 -0.04 1.90 1.81 1ci8A1 ARG 165 HB3 -0.13 0.09 -0.08 -0.04 1.80 1.65 1ci8A1 ARG 165 HG2 -0.18 -0.03 0.01 -0.04 1.67 1.43 1ci8A1 ARG 165 HG3 -0.24 0.21 0.09 -0.04 1.67 1.69 1ci8A1 ARG 165 HD2 -0.36 -0.14 -0.05 -0.04 3.22 2.63 1ci8A1 ARG 165 HD3 -0.18 0.32 -0.03 -0.04 3.22 3.29 1ci8A1 LEU 166 H -0.05 0.34 -0.25 -0.55 8.37 7.86 1ci8A1 LEU 166 HA -0.25 -0.03 0.43 -0.75 4.35 3.74 1ci8A1 LEU 166 HB2 -0.01 -0.00 0.13 -0.04 1.64 1.71 1ci8A1 LEU 166 HB3 0.17 0.09 0.21 -0.04 1.64 2.07 1ci8A1 LEU 166 HG 0.19 0.08 -0.26 -0.04 1.64 1.61 1ci8A1 LEU 166 HD13 -0.05 -0.04 0.00 -0.04 0.93 0.81 1ci8A1 LEU 166 HD23 0.10 -0.04 -0.05 -0.04 0.89 0.86 1ci8A1 ALA 167 H -0.05 0.67 -0.10 -0.55 8.40 8.38 1ci8A1 ALA 167 HA -0.51 -0.00 0.35 -0.75 4.34 3.43 1ci8A1 ALA 167 HB3 -0.54 -0.02 0.02 -0.04 1.41 0.83 1ci8A1 SER 168 H -0.14 0.23 -0.62 -0.55 8.46 7.38 1ci8A1 SER 168 HA -0.12 0.09 0.59 -0.75 4.49 4.29 1ci8A1 SER 168 HB2 -0.08 -0.08 0.10 -0.04 3.95 3.85 1ci8A1 SER 168 HB3 -0.10 0.04 0.07 -0.04 3.93 3.91 1ci8A1 ALA 169 H -0.15 0.37 -0.41 -0.55 8.40 7.67 1ci8A1 ALA 169 HA -0.05 0.08 0.66 -0.75 4.34 4.27 1ci8A1 ALA 169 HB3 -0.10 -0.01 0.04 -0.04 1.41 1.30 1ci8A1 PRO 170 HA -0.06 0.23 0.70 -0.51 4.44 4.80 1ci8A1 PRO 170 HB2 -0.03 0.03 -0.08 -0.04 2.28 2.16 1ci8A1 PRO 170 HB3 -0.03 0.02 -0.03 -0.04 2.02 1.94 1ci8A1 PRO 170 HG2 0.00 -0.02 -0.00 -0.04 2.03 1.97 1ci8A1 PRO 170 HG3 -0.01 -0.02 0.03 -0.04 2.03 1.99 1ci8A1 PRO 170 HD2 0.02 -0.05 0.19 -0.04 3.68 3.80 1ci8A1 PRO 170 HD3 -0.02 0.18 0.13 -0.04 3.65 3.90 1ci8A1 LEU 171 H -0.07 0.60 0.20 -0.55 8.37 8.55 1ci8A1 LEU 171 HA -0.12 0.05 0.32 -0.75 4.35 3.84 1ci8A1 LEU 171 HB2 -0.10 -0.11 -0.03 -0.04 1.64 1.36 1ci8A1 LEU 171 HB3 -0.22 0.03 0.11 -0.04 1.64 1.52 1ci8A1 LEU 171 HG -0.09 0.06 -0.20 -0.04 1.64 1.37 1ci8A1 LEU 171 HD13 -0.08 0.04 -0.12 -0.04 0.93 0.72 1ci8A1 LEU 171 HD23 -0.10 -0.02 -0.26 -0.04 0.89 0.47 1ci8A1 SER 172 H -0.35 0.67 0.26 -0.55 8.46 8.49 1ci8A1 SER 172 HA -0.08 0.10 0.62 -0.75 4.49 4.37 1ci8A1 SER 172 HB2 -0.44 0.05 0.02 -0.04 3.95 3.53 1ci8A1 SER 172 HB3 -0.03 -0.04 0.01 -0.04 3.93 3.82 1ci8A1 PHE 173 H -0.46 0.27 -0.04 -0.55 8.34 7.56 1ci8A1 PHE 173 HA -0.01 0.06 0.26 -0.75 4.62 4.18 1ci8A1 PHE 173 HB2 0.00 -0.05 0.05 -0.04 3.15 3.11 1ci8A1 PHE 173 HB3 -0.00 0.17 0.01 -0.04 3.06 3.20 1ci8A1 PHE 173 HD2 -0.02 0.22 -0.45 -0.04 7.28 6.99 1ci8A1 PHE 173 HE2 -0.03 0.13 -0.34 -0.04 7.38 7.10 1ci8A1 PHE 173 HZ -0.09 0.05 -0.49 -0.04 7.32 6.74 1ci8A1 ALA 174 H 0.21 0.11 0.06 -0.55 8.40 8.24 1ci8A1 ALA 174 HA 0.04 0.13 0.56 -0.75 4.34 4.32 1ci8A1 ALA 174 HB3 0.07 0.01 0.08 -0.04 1.41 1.53 1ci8A1 PRO 175 HA -0.08 0.17 0.56 -0.51 4.44 4.58 1ci8A1 PRO 175 HB2 -0.35 -0.00 0.17 -0.04 2.28 2.06 1ci8A1 PRO 175 HB3 -0.90 -0.13 0.19 -0.04 2.02 1.14 1ci8A1 PRO 175 HG2 -0.09 0.09 -0.02 -0.04 2.03 1.97 1ci8A1 PRO 175 HG3 -0.13 0.33 0.20 -0.04 2.03 2.39 1ci8A1 PRO 175 HD2 -0.03 -0.01 0.21 -0.04 3.68 3.81 1ci8A1 PRO 175 HD3 -0.04 0.16 0.24 -0.04 3.65 3.97 1ci8A1 GLY 176 H 0.11 0.82 0.35 -0.55 8.43 9.16 1ci8A1 GLY 176 HA2 0.27 -0.01 0.38 -0.51 4.01 4.14 1ci8A1 GLY 176 HA3 0.24 0.05 0.47 -0.51 4.01 4.27 1ci8A1 SER 177 H 0.13 0.60 -0.37 -0.55 8.46 8.28 1ci8A1 SER 177 HA 0.00 0.07 0.52 -0.75 4.49 4.32 1ci8A1 SER 177 HB2 0.04 -0.07 0.05 -0.04 3.95 3.93 1ci8A1 SER 177 HB3 0.14 0.44 0.12 -0.04 3.93 4.60 1ci8A1 GLY 178 H -0.27 0.19 -0.06 -0.55 8.43 7.74 1ci8A1 GLY 178 HA2 -0.21 0.14 0.51 -0.51 4.01 3.93 1ci8A1 GLY 178 HA3 -0.90 0.01 0.23 -0.51 4.01 2.84 1ci8A1 TRP 179 H -0.01 0.24 0.15 -0.55 7.97 7.81 1ci8A1 TRP 179 HA 0.14 0.28 0.95 -0.75 4.62 5.23 1ci8A1 TRP 179 HB2 0.02 -0.02 -0.12 -0.04 3.23 3.07 1ci8A1 TRP 179 HB3 0.01 0.01 0.07 -0.04 3.23 3.28 1ci8A1 TRP 179 HD1 0.04 -0.01 -0.09 -0.04 7.22 7.12 1ci8A1 TRP 179 HE1 -0.72 0.17 0.02 -0.04 10.20 9.64 1ci8A1 TRP 179 HE3 0.04 0.06 -0.28 -0.04 7.59 7.37 1ci8A1 TRP 179 HZ2 -1.22 -0.02 -0.07 -0.04 7.44 6.09 1ci8A1 TRP 179 HZ3 0.04 0.05 -0.00 -0.04 7.13 7.18 1ci8A1 TRP 179 HH2 -0.04 0.01 0.03 -0.04 7.19 7.15 1ci8A1 GLN 180 H -0.87 0.66 0.20 -0.55 8.47 7.92 1ci8A1 GLN 180 HA -0.29 0.05 0.57 -0.75 4.36 3.92 1ci8A1 GLN 180 HB2 0.22 0.11 -0.07 -0.04 2.15 2.37 1ci8A1 GLN 180 HB3 -0.00 -0.07 -0.13 -0.04 2.02 1.78 1ci8A1 GLN 180 HG2 -0.17 0.15 -0.20 -0.04 2.40 2.15 1ci8A1 GLN 180 HG3 -0.05 -0.06 0.07 -0.04 2.39 2.31 1ci8A1 GLN 180 HE21 -0.21 -0.07 -0.18 -0.04 6.97 6.47 1ci8A1 GLN 180 HE22 -0.25 0.50 -0.36 -0.04 7.69 7.54 1ci8A1 TYR 181 H -0.44 0.16 0.13 -0.55 8.29 7.59 1ci8A1 TYR 181 HA -0.88 0.05 0.47 -0.75 4.56 3.45 1ci8A1 TYR 181 HB2 0.02 0.11 0.15 -0.04 3.06 3.30 1ci8A1 TYR 181 HB3 0.07 -0.08 0.03 -0.04 2.98 2.96 1ci8A1 TYR 181 HD2 -0.30 0.02 0.05 -0.04 7.15 6.88 1ci8A1 TYR 181 HE2 0.13 -0.01 0.03 -0.04 6.85 6.96 1ci8A1 SER 182 H -0.42 0.20 0.24 -0.55 8.46 7.93 1ci8A1 SER 182 HA -0.65 0.13 0.57 -0.75 4.49 3.78 1ci8A1 SER 182 HB2 -0.23 -0.16 -0.23 -0.04 3.95 3.29 1ci8A1 SER 182 HB3 -0.22 0.51 -0.71 -0.04 3.93 3.46 1ci8A1 LEU 183 H -0.46 0.50 0.18 -0.55 8.37 8.04 1ci8A1 LEU 183 HA -0.40 0.07 0.51 -0.75 4.35 3.78 1ci8A1 LEU 183 HB2 -0.11 0.12 0.16 -0.04 1.64 1.77 1ci8A1 LEU 183 HB3 -0.07 -0.08 0.19 -0.04 1.64 1.65 1ci8A1 LEU 183 HG -0.38 -0.04 0.11 -0.04 1.64 1.28 1ci8A1 LEU 183 HD13 0.18 0.03 0.01 -0.04 0.93 1.11 1ci8A1 LEU 183 HD23 0.17 -0.01 0.09 -0.04 0.89 1.09 1ci8A1 ALA 184 H -0.16 0.20 -0.65 -0.55 8.40 7.25 1ci8A1 ALA 184 HA -0.13 0.05 0.38 -0.75 4.34 3.89 1ci8A1 ALA 184 HB3 -0.22 0.03 0.06 -0.04 1.41 1.24 1ci8A1 LEU 185 H -0.01 0.24 -0.20 -0.55 8.37 7.85 1ci8A1 LEU 185 HA -0.04 0.16 0.47 -0.75 4.35 4.19 1ci8A1 LEU 185 HB2 0.14 -0.01 -0.04 -0.04 1.64 1.68 1ci8A1 LEU 185 HB3 0.11 0.10 -0.46 -0.04 1.64 1.35 1ci8A1 LEU 185 HG 0.18 0.05 0.00 -0.04 1.64 1.83 1ci8A1 LEU 185 HD13 0.04 0.01 -0.05 -0.04 0.93 0.90 1ci8A1 LEU 185 HD23 -0.05 0.02 -0.12 -0.04 0.89 0.70 1ci8A1 ASP 186 H 0.00 0.26 -0.31 -0.55 8.40 7.81 1ci8A1 ASP 186 HA 0.07 -0.22 0.60 -0.75 4.63 4.33 1ci8A1 ASP 186 HB2 -0.00 0.35 0.19 -0.04 2.71 3.20 1ci8A1 ASP 186 HB3 0.04 0.06 0.01 -0.04 2.70 2.76 1ci8A1 VAL 187 H -0.12 0.39 -0.11 -0.55 8.24 7.85 1ci8A1 VAL 187 HA -0.28 0.05 0.47 -0.75 4.13 3.62 1ci8A1 VAL 187 HB -0.23 0.21 0.16 -0.04 2.12 2.22 1ci8A1 VAL 187 HG13 -0.57 0.00 -0.11 -0.04 0.97 0.25 1ci8A1 VAL 187 HG23 -0.38 0.04 -0.01 -0.04 0.95 0.56 1ci8A1 LEU 188 H -0.12 0.52 -0.17 -0.55 8.37 8.06 1ci8A1 LEU 188 HA -0.16 0.04 0.43 -0.75 4.35 3.91 1ci8A1 LEU 188 HB2 -0.08 0.02 0.13 -0.04 1.64 1.68 1ci8A1 LEU 188 HB3 -0.11 0.01 -0.02 -0.04 1.64 1.48 1ci8A1 LEU 188 HG -0.13 0.07 0.02 -0.04 1.64 1.57 1ci8A1 LEU 188 HD13 -0.12 -0.01 -0.13 -0.04 0.93 0.63 1ci8A1 LEU 188 HD23 -0.17 -0.01 0.02 -0.04 0.89 0.69 1ci8A1 GLY 189 H -0.05 0.29 -0.47 -0.55 8.43 7.65 1ci8A1 GLY 189 HA2 -0.03 0.05 0.38 -0.51 4.01 3.90 1ci8A1 GLY 189 HA3 -0.01 -0.01 0.32 -0.51 4.01 3.80 1ci8A1 ALA 190 H -0.09 0.38 -0.26 -0.55 8.40 7.88 1ci8A1 ALA 190 HA -0.06 -0.02 0.44 -0.75 4.34 3.95 1ci8A1 ALA 190 HB3 -0.09 0.04 0.09 -0.04 1.41 1.42 1ci8A1 VAL 191 H -0.12 0.41 -0.13 -0.55 8.24 7.85 1ci8A1 VAL 191 HA -0.04 0.04 0.35 -0.75 4.13 3.72 1ci8A1 VAL 191 HB -0.21 0.14 0.22 -0.04 2.12 2.23 1ci8A1 VAL 191 HG13 -0.63 -0.01 -0.12 -0.04 0.97 0.17 1ci8A1 VAL 191 HG23 -0.08 0.03 0.03 -0.04 0.95 0.89 1ci8A1 VAL 192 H -0.14 0.61 -0.21 -0.55 8.24 7.94 1ci8A1 VAL 192 HA -0.18 0.03 0.32 -0.75 4.13 3.54 1ci8A1 VAL 192 HB -0.08 0.11 0.11 -0.04 2.12 2.22 1ci8A1 VAL 192 HG13 -0.05 -0.01 -0.19 -0.04 0.97 0.67 1ci8A1 VAL 192 HG23 -0.11 0.04 -0.05 -0.04 0.95 0.78 1ci8A1 GLU 193 H -0.07 0.35 -0.21 -0.55 8.60 8.12 1ci8A1 GLU 193 HA -0.04 0.16 0.48 -0.75 4.29 4.14 1ci8A1 GLU 193 HB2 -0.03 0.15 0.19 -0.04 2.09 2.36 1ci8A1 GLU 193 HB3 -0.02 -0.05 0.03 -0.04 1.99 1.90 1ci8A1 GLU 193 HG2 -0.07 -0.04 0.10 -0.04 2.34 2.30 1ci8A1 GLU 193 HG3 -0.07 0.27 0.16 -0.04 2.34 2.66 1ci8A1 ARG 194 H -0.01 0.45 -0.16 -0.55 8.46 8.18 1ci8A1 ARG 194 HA 0.06 0.01 0.53 -0.75 4.34 4.18 1ci8A1 ARG 194 HB2 0.17 0.08 0.19 -0.04 1.90 2.30 1ci8A1 ARG 194 HB3 0.20 0.02 0.08 -0.04 1.80 2.06 1ci8A1 ARG 194 HG2 0.05 0.14 0.04 -0.04 1.67 1.85 1ci8A1 ARG 194 HG3 0.13 0.20 0.03 -0.04 1.67 1.98 1ci8A1 ARG 194 HD2 0.06 0.03 0.06 -0.04 3.22 3.34 1ci8A1 ARG 194 HD3 0.04 -0.08 -0.06 -0.04 3.22 3.08 1ci8A1 ALA 195 H -0.05 0.52 0.03 -0.55 8.40 8.36 1ci8A1 ALA 195 HA 0.19 0.07 0.43 -0.75 4.34 4.27 1ci8A1 ALA 195 HB3 -0.21 -0.01 0.04 -0.04 1.41 1.20 1ci8A1 THR 196 H -0.02 0.35 -0.28 -0.55 8.28 7.78 1ci8A1 THR 196 HA 0.01 0.22 0.84 -0.75 4.39 4.70 1ci8A1 THR 196 HB -0.01 -0.05 0.03 -0.04 4.32 4.25 1ci8A1 THR 196 HG23 -0.03 0.00 -0.06 -0.04 1.22 1.09 1ci8A1 GLY 197 H 0.02 0.41 -0.10 -0.55 8.43 8.22 1ci8A1 GLY 197 HA2 0.02 0.01 0.36 -0.51 4.01 3.89 1ci8A1 GLY 197 HA3 0.02 0.04 0.52 -0.51 4.01 4.08 1ci8A1 GLN 198 H -0.01 0.23 -0.02 -0.55 8.47 8.12 1ci8A1 GLN 198 HA -0.00 0.18 0.80 -0.75 4.36 4.58 1ci8A1 GLN 198 HB2 -0.01 -0.05 -0.12 -0.04 2.15 1.93 1ci8A1 GLN 198 HB3 -0.01 -0.06 -0.08 -0.04 2.02 1.84 1ci8A1 GLN 198 HG2 0.00 -0.03 -0.06 -0.04 2.40 2.27 1ci8A1 GLN 198 HG3 0.00 0.19 -0.38 -0.04 2.39 2.16 1ci8A1 GLN 198 HE21 0.01 0.01 -0.08 -0.04 6.97 6.87 1ci8A1 GLN 198 HE22 0.01 -0.02 -0.07 -0.04 7.69 7.57 1ci8A1 PRO 199 HA -0.05 0.10 0.52 -0.51 4.44 4.51 1ci8A1 PRO 199 HB2 -0.05 -0.09 0.09 -0.04 2.28 2.19 1ci8A1 PRO 199 HB3 -0.02 0.11 0.14 -0.04 2.02 2.21 1ci8A1 PRO 199 HG2 -0.01 -0.18 0.10 -0.04 2.03 1.90 1ci8A1 PRO 199 HG3 -0.00 0.12 0.10 -0.04 2.03 2.20 1ci8A1 PRO 199 HD2 -0.00 0.15 0.23 -0.04 3.68 4.01 1ci8A1 PRO 199 HD3 -0.01 0.20 0.15 -0.04 3.65 3.95 1ci8A1 LEU 200 H -0.14 0.16 0.19 -0.55 8.37 8.04 1ci8A1 LEU 200 HA -0.11 0.14 0.32 -0.75 4.35 3.94 1ci8A1 LEU 200 HB2 -0.20 0.09 0.15 -0.04 1.64 1.63 1ci8A1 LEU 200 HB3 -0.59 -0.05 0.10 -0.04 1.64 1.07 1ci8A1 LEU 200 HG -0.32 -0.02 -0.17 -0.04 1.64 1.08 1ci8A1 LEU 200 HD13 -0.04 0.06 0.07 -0.04 0.93 0.98 1ci8A1 LEU 200 HD23 -0.10 -0.01 -0.14 -0.04 0.89 0.60 1ci8A1 ALA 201 H -0.28 0.11 -0.15 -0.55 8.40 7.53 1ci8A1 ALA 201 HA 0.20 0.05 0.32 -0.75 4.34 4.16 1ci8A1 ALA 201 HB3 0.09 0.02 0.08 -0.04 1.41 1.56 1ci8A1 ALA 202 H -0.01 0.18 -0.27 -0.55 8.40 7.75 1ci8A1 ALA 202 HA 0.04 0.07 0.48 -0.75 4.34 4.17 1ci8A1 ALA 202 HB3 0.01 0.04 0.04 -0.04 1.41 1.46 1ci8A1 ALA 203 H -0.01 0.46 -0.20 -0.55 8.40 8.10 1ci8A1 ALA 203 HA 0.01 0.09 0.39 -0.75 4.34 4.07 1ci8A1 ALA 203 HB3 -0.02 0.03 -0.06 -0.04 1.41 1.33 1ci8A1 VAL 204 H 0.06 0.65 -0.07 -0.55 8.24 8.33 1ci8A1 VAL 204 HA 0.07 0.05 0.37 -0.75 4.13 3.87 1ci8A1 VAL 204 HB 0.25 0.07 0.07 -0.04 2.12 2.48 1ci8A1 VAL 204 HG13 0.09 -0.01 -0.20 -0.04 0.97 0.82 1ci8A1 VAL 204 HG23 0.21 0.01 -0.04 -0.04 0.95 1.09 1ci8A1 ASP 205 H 0.08 0.46 -0.26 -0.55 8.40 8.14 1ci8A1 ASP 205 HA 0.04 -0.09 0.37 -0.75 4.63 4.20 1ci8A1 ASP 205 HB2 0.07 0.19 0.20 -0.04 2.71 3.12 1ci8A1 ASP 205 HB3 0.04 0.10 0.14 -0.04 2.70 2.95 1ci8A1 ALA 206 H 0.04 0.52 -0.25 -0.55 8.40 8.16 1ci8A1 ALA 206 HA 0.03 0.00 0.38 -0.75 4.34 4.00 1ci8A1 ALA 206 HB3 0.02 0.00 0.08 -0.04 1.41 1.47 1ci8A1 LEU 207 H 0.04 0.63 0.00 -0.55 8.37 8.49 1ci8A1 LEU 207 HA 0.02 0.12 0.63 -0.75 4.35 4.37 1ci8A1 LEU 207 HB2 0.04 -0.04 0.09 -0.04 1.64 1.69 1ci8A1 LEU 207 HB3 0.01 -0.02 0.04 -0.04 1.64 1.63 1ci8A1 LEU 207 HG -0.00 -0.01 0.00 -0.04 1.64 1.59 1ci8A1 LEU 207 HD13 -0.02 -0.00 -0.11 -0.04 0.93 0.76 1ci8A1 LEU 207 HD23 -0.04 -0.00 -0.04 -0.04 0.89 0.77 1ci8A1 VAL 208 H 0.08 0.52 -0.10 -0.55 8.24 8.18 1ci8A1 VAL 208 HA 0.33 0.26 1.01 -0.75 4.13 4.96 1ci8A1 VAL 208 HB 0.07 -0.07 0.09 -0.04 2.12 2.17 1ci8A1 VAL 208 HG13 0.02 -0.01 -0.15 -0.04 0.97 0.78 1ci8A1 VAL 208 HG23 0.16 0.04 -0.28 -0.04 0.95 0.83 1ci8A1 ALA 209 H 0.04 0.29 0.08 -0.55 8.40 8.27 1ci8A1 ALA 209 HA -0.03 -0.06 0.31 -0.75 4.34 3.81 1ci8A1 ALA 209 HB3 -0.01 0.04 0.08 -0.04 1.41 1.48 1ci8A1 GLN 210 H 0.03 0.70 0.02 -0.55 8.47 8.68 1ci8A1 GLN 210 HA 0.01 -0.02 0.43 -0.75 4.36 4.02 1ci8A1 GLN 210 HB2 0.04 0.22 0.14 -0.04 2.15 2.50 1ci8A1 GLN 210 HB3 0.03 -0.05 -0.04 -0.04 2.02 1.92 1ci8A1 GLN 210 HG2 0.03 -0.00 -0.04 -0.04 2.40 2.35 1ci8A1 GLN 210 HG3 0.02 -0.04 -0.05 -0.04 2.39 2.29 1ci8A1 GLN 210 HE21 0.02 -0.03 -0.04 -0.04 6.97 6.87 1ci8A1 GLN 210 HE22 0.02 -0.02 -0.05 -0.04 7.69 7.60 1ci8A1 PRO 211 HA 0.06 0.03 0.44 -0.51 4.44 4.46 1ci8A1 PRO 211 HB2 0.29 0.02 -0.04 -0.04 2.28 2.52 1ci8A1 PRO 211 HB3 0.13 -0.02 0.05 -0.04 2.02 2.14 1ci8A1 PRO 211 HG2 0.26 0.14 -0.10 -0.04 2.03 2.29 1ci8A1 PRO 211 HG3 0.18 0.16 -0.16 -0.04 2.03 2.17 1ci8A1 PRO 211 HD2 0.08 -0.07 -0.41 -0.04 3.68 3.23 1ci8A1 PRO 211 HD3 0.07 0.17 -0.03 -0.04 3.65 3.82 1ci8A1 LEU 212 H -0.01 0.54 -0.31 -0.55 8.37 8.03 1ci8A1 LEU 212 HA -0.10 0.16 0.67 -0.75 4.35 4.33 1ci8A1 LEU 212 HB2 -0.15 -0.01 -0.07 -0.04 1.64 1.37 1ci8A1 LEU 212 HB3 -0.19 -0.08 0.01 -0.04 1.64 1.34 1ci8A1 LEU 212 HG -0.50 0.10 -0.08 -0.04 1.64 1.12 1ci8A1 LEU 212 HD13 -0.54 -0.02 -0.14 -0.04 0.93 0.20 1ci8A1 LEU 212 HD23 -0.53 0.01 -0.10 -0.04 0.89 0.24 1ci8A1 GLY 213 H -0.02 0.47 -0.44 -0.55 8.43 7.90 1ci8A1 GLY 213 HA2 -0.02 0.03 0.26 -0.51 4.01 3.78 1ci8A1 GLY 213 HA3 -0.03 0.00 0.31 -0.51 4.01 3.78 1ci8A1 MET 214 H -0.04 0.55 -0.19 -0.55 8.47 8.24 1ci8A1 MET 214 HA -0.05 -0.03 0.62 -0.75 4.52 4.30 1ci8A1 MET 214 HB2 -0.05 -0.01 0.17 -0.04 2.15 2.21 1ci8A1 MET 214 HB3 -0.07 -0.16 -0.01 -0.04 2.03 1.75 1ci8A1 MET 214 HG2 -0.09 -0.02 0.02 -0.04 2.63 2.50 1ci8A1 MET 214 HG3 -0.09 0.17 -0.23 -0.04 2.56 2.37 1ci8A1 MET 214 HE3 -0.11 -0.01 -0.14 -0.04 2.10 1.80 1ci8A1 ARG 215 H -0.03 0.21 0.12 -0.55 8.46 8.20 1ci8A1 ARG 215 HA -0.01 0.25 0.76 -0.75 4.34 4.60 1ci8A1 ARG 215 HB2 -0.01 -0.03 0.02 -0.04 1.90 1.85 1ci8A1 ARG 215 HB3 0.00 -0.01 0.07 -0.04 1.80 1.83 1ci8A1 ARG 215 HG2 -0.00 0.03 -0.18 -0.04 1.67 1.47 1ci8A1 ARG 215 HG3 -0.01 0.17 -0.30 -0.04 1.67 1.48 1ci8A1 ARG 215 HD2 -0.01 -0.02 -0.01 -0.04 3.22 3.13 1ci8A1 ARG 215 HD3 -0.00 -0.04 -0.03 -0.04 3.22 3.11 1ci8A1 ASP 216 H -0.03 0.01 -0.12 -0.55 8.40 7.71 1ci8A1 ASP 216 HA 0.05 0.33 0.95 -0.75 4.63 5.20 1ci8A1 ASP 216 HB2 -0.01 -0.16 0.10 -0.04 2.71 2.60 1ci8A1 ASP 216 HB3 0.03 0.04 0.14 -0.04 2.70 2.87 1ci8A1 CYS 217 H -0.09 0.28 -0.24 -0.55 8.50 7.90 1ci8A1 CYS 217 HA -0.52 0.22 0.80 -0.75 4.58 4.33 1ci8A1 CYS 217 HB2 -0.17 0.00 -0.08 -0.04 2.97 2.68 1ci8A1 CYS 217 HB3 -0.30 0.12 0.18 -0.04 2.97 2.92 1ci8A1 GLY 218 H -0.85 0.49 0.27 -0.55 8.43 7.80 1ci8A1 GLY 218 HA2 -0.12 0.05 0.32 -0.51 4.01 3.74 1ci8A1 GLY 218 HA3 -0.15 0.12 0.42 -0.51 4.01 3.90 1ci8A1 PHE 219 H 0.32 0.07 0.17 -0.55 8.34 8.35 1ci8A1 PHE 219 HA 0.12 0.28 1.02 -0.75 4.62 5.28 1ci8A1 PHE 219 HB2 0.07 -0.07 0.14 -0.04 3.15 3.24 1ci8A1 PHE 219 HB3 0.07 0.11 0.03 -0.04 3.06 3.22 1ci8A1 PHE 219 HD2 0.04 0.01 -0.07 -0.04 7.28 7.22 1ci8A1 PHE 219 HE2 0.04 0.05 -0.28 -0.04 7.38 7.15 1ci8A1 PHE 219 HZ 0.03 0.04 -0.19 -0.04 7.32 7.16 1ci8A1 VAL 220 H 0.34 0.01 0.15 -0.55 8.24 8.20 1ci8A1 VAL 220 HA 0.11 0.46 0.95 -0.75 4.13 4.89 1ci8A1 VAL 220 HB 0.14 -0.12 0.05 -0.04 2.12 2.15 1ci8A1 VAL 220 HG13 0.07 0.01 -0.33 -0.04 0.97 0.67 1ci8A1 VAL 220 HG23 0.11 0.00 -0.14 -0.04 0.95 0.89 1ci8A1 SER 221 H -0.06 0.79 0.26 -0.55 8.46 8.90 1ci8A1 SER 221 HA 0.00 0.15 0.82 -0.75 4.49 4.70 1ci8A1 SER 221 HB2 -1.07 0.03 -0.17 -0.04 3.95 2.69 1ci8A1 SER 221 HB3 -0.38 0.08 -0.10 -0.04 3.93 3.49 1ci8A1 ALA 222 H 0.03 0.15 0.07 -0.55 8.40 8.11 1ci8A1 ALA 222 HA -0.02 0.27 0.84 -0.75 4.34 4.68 1ci8A1 ALA 222 HB3 0.00 0.01 0.07 -0.04 1.41 1.45 1ci8A1 GLU 223 H 0.05 0.07 -0.17 -0.55 8.60 8.00 1ci8A1 GLU 223 HA -0.05 0.27 0.94 -0.75 4.29 4.69 1ci8A1 GLU 223 HB2 0.09 0.01 0.12 -0.04 2.09 2.26 1ci8A1 GLU 223 HB3 0.04 -0.02 0.07 -0.04 1.99 2.04 1ci8A1 GLU 223 HG2 0.00 0.09 -0.09 -0.04 2.34 2.30 1ci8A1 GLU 223 HG3 0.02 -0.12 -0.29 -0.04 2.34 1.91 1ci8A1 PRO 224 HA -0.13 0.08 0.31 -0.51 4.44 4.19 1ci8A1 PRO 224 HB2 -0.30 0.04 -0.03 -0.04 2.28 1.95 1ci8A1 PRO 224 HB3 -0.67 0.05 0.01 -0.04 2.02 1.37 1ci8A1 PRO 224 HG2 -0.55 0.08 -0.02 -0.04 2.03 1.50 1ci8A1 PRO 224 HG3 -1.49 0.05 -0.10 -0.04 2.03 0.44 1ci8A1 PRO 224 HD2 -0.22 0.11 0.09 -0.04 3.68 3.62 1ci8A1 PRO 224 HD3 -0.29 0.25 -0.80 -0.04 3.65 2.77 1ci8A1 GLU 225 H -0.06 0.12 -0.24 -0.55 8.60 7.87 1ci8A1 GLU 225 HA -0.02 0.11 0.32 -0.75 4.29 3.95 1ci8A1 GLU 225 HB2 -0.03 -0.03 0.01 -0.04 2.09 2.00 1ci8A1 GLU 225 HB3 -0.02 0.04 0.02 -0.04 1.99 1.98 1ci8A1 GLU 225 HG2 -0.04 0.04 0.02 -0.04 2.34 2.31 1ci8A1 GLU 225 HG3 -0.06 -0.05 -0.01 -0.04 2.34 2.18 1ci8A1 ARG 226 H 0.11 0.32 -0.57 -0.55 8.46 7.77 1ci8A1 ARG 226 HA -0.04 0.15 0.67 -0.75 4.34 4.37 1ci8A1 ARG 226 HB2 0.04 0.15 0.02 -0.04 1.90 2.07 1ci8A1 ARG 226 HB3 -0.11 -0.06 0.08 -0.04 1.80 1.66 1ci8A1 ARG 226 HG2 -0.02 0.02 -0.07 -0.04 1.67 1.55 1ci8A1 ARG 226 HG3 0.01 -0.09 -0.11 -0.04 1.67 1.45 1ci8A1 ARG 226 HD2 0.01 -0.02 -0.04 -0.04 3.22 3.13 1ci8A1 ARG 226 HD3 0.02 -0.01 -0.01 -0.04 3.22 3.18 1ci8A1 PHE 227 H 0.29 0.37 -0.21 -0.55 8.34 8.24 1ci8A1 PHE 227 HA -0.16 0.19 0.80 -0.75 4.62 4.69 1ci8A1 PHE 227 HB2 0.05 0.08 0.03 -0.04 3.15 3.27 1ci8A1 PHE 227 HB3 -0.08 0.15 -0.12 -0.04 3.06 2.97 1ci8A1 PHE 227 HD2 -0.06 0.06 -0.11 -0.04 7.28 7.13 1ci8A1 PHE 227 HE2 -0.14 -0.05 -0.28 -0.04 7.38 6.87 1ci8A1 PHE 227 HZ -0.74 -0.02 -0.22 -0.04 7.32 6.30 1ci8A1 ALA 228 H -0.33 0.50 0.27 -0.55 8.40 8.30 1ci8A1 ALA 228 HA -0.14 0.05 0.69 -0.75 4.34 4.18 1ci8A1 ALA 228 HB3 -0.54 -0.03 0.01 -0.04 1.41 0.81 1ci8A1 VAL 229 H 0.03 0.67 0.26 -0.55 8.24 8.65 1ci8A1 VAL 229 HA -0.04 0.07 0.59 -0.75 4.13 4.00 1ci8A1 VAL 229 HB 0.05 0.00 0.29 -0.04 2.12 2.42 1ci8A1 VAL 229 HG13 -0.32 -0.02 -0.06 -0.04 0.97 0.52 1ci8A1 VAL 229 HG23 -0.00 -0.00 -0.00 -0.04 0.95 0.90 1ci8A1 PRO 230 HA 0.01 0.12 0.67 -0.51 4.44 4.74 1ci8A1 PRO 230 HB2 -0.09 -0.06 0.17 -0.04 2.28 2.25 1ci8A1 PRO 230 HB3 0.07 0.02 0.11 -0.04 2.02 2.17 1ci8A1 PRO 230 HG2 -0.12 -0.06 0.16 -0.04 2.03 1.97 1ci8A1 PRO 230 HG3 -0.17 0.08 0.14 -0.04 2.03 2.05 1ci8A1 PRO 230 HD2 -0.12 0.04 0.27 -0.04 3.68 3.84 1ci8A1 PRO 230 HD3 -0.07 0.28 0.40 -0.04 3.65 4.22 1ci8A1 TYR 231 H 0.11 0.68 0.46 -0.55 8.29 8.99 1ci8A1 TYR 231 HA -0.14 0.21 0.88 -0.75 4.56 4.75 1ci8A1 TYR 231 HB2 -0.06 0.05 0.11 -0.04 3.06 3.13 1ci8A1 TYR 231 HB3 -0.12 -0.04 -0.16 -0.04 2.98 2.62 1ci8A1 TYR 231 HD2 -0.06 0.10 -0.25 -0.04 7.15 6.90 1ci8A1 TYR 231 HE2 -0.04 0.03 -0.02 -0.04 6.85 6.78 1ci8A1 HIS 232 H -0.26 0.51 0.35 -0.55 8.41 8.46 1ci8A1 HIS 232 HA -0.19 0.21 1.09 -0.75 4.63 4.99 1ci8A1 HIS 232 HB2 -0.19 0.02 0.20 -0.04 3.26 3.25 1ci8A1 HIS 232 HB3 -0.25 -0.09 0.01 -0.04 3.20 2.84 1ci8A1 HIS 232 HD2 -0.06 -0.07 -0.05 -0.04 6.97 6.74 1ci8A1 HIS 232 HE1 0.01 -0.03 0.05 -0.04 7.75 7.74 1ci8A1 ASP 233 H 0.01 0.52 0.38 -0.55 8.40 8.77 1ci8A1 ASP 233 HA 0.03 0.03 0.38 -0.75 4.63 4.33 1ci8A1 ASP 233 HB2 0.07 0.01 0.10 -0.04 2.71 2.85 1ci8A1 ASP 233 HB3 0.05 0.06 0.08 -0.04 2.70 2.85 1ci8A1 GLY 234 H 0.03 0.32 0.15 -0.55 8.43 8.39 1ci8A1 GLY 234 HA2 0.08 0.02 0.36 -0.51 4.01 3.95 1ci8A1 GLY 234 HA3 0.04 0.14 0.29 -0.51 4.01 3.97 1ci8A1 GLN 235 H 0.03 0.25 0.12 -0.55 8.47 8.34 1ci8A1 GLN 235 HA 0.01 0.29 0.50 -0.75 4.36 4.40 1ci8A1 GLN 235 HB2 0.02 -0.05 0.06 -0.04 2.15 2.15 1ci8A1 GLN 235 HB3 0.01 0.03 -0.01 -0.04 2.02 2.01 1ci8A1 GLN 235 HG2 0.02 0.19 -0.10 -0.04 2.40 2.46 1ci8A1 GLN 235 HG3 0.03 -0.13 -0.36 -0.04 2.39 1.88 1ci8A1 GLN 235 HE21 0.01 -0.03 -0.03 -0.04 6.97 6.89 1ci8A1 GLN 235 HE22 0.02 0.01 -0.06 -0.04 7.69 7.61 1ci8A1 PRO 236 HA 0.00 0.06 0.37 -0.51 4.44 4.36 1ci8A1 PRO 236 HB2 -0.00 0.06 -0.02 -0.04 2.28 2.27 1ci8A1 PRO 236 HB3 0.00 -0.01 0.13 -0.04 2.02 2.10 1ci8A1 PRO 236 HG2 -0.00 -0.01 0.07 -0.04 2.03 2.04 1ci8A1 PRO 236 HG3 0.00 0.01 0.08 -0.04 2.03 2.08 1ci8A1 PRO 236 HD2 0.01 0.13 -0.15 -0.04 3.68 3.63 1ci8A1 PRO 236 HD3 0.01 0.06 0.45 -0.04 3.65 4.13 1ci8A1 GLU 237 H -0.01 0.16 -0.06 -0.55 8.60 8.15 1ci8A1 GLU 237 HA -0.03 0.41 0.87 -0.75 4.29 4.79 1ci8A1 GLU 237 HB2 -0.07 0.04 0.04 -0.04 2.09 2.07 1ci8A1 GLU 237 HB3 -0.03 0.03 -0.12 -0.04 1.99 1.83 1ci8A1 GLU 237 HG2 -0.02 -0.14 -0.05 -0.04 2.34 2.09 1ci8A1 GLU 237 HG3 -0.02 0.07 -0.12 -0.04 2.34 2.22 1ci8A1 PRO 238 HA -0.05 0.15 0.35 -0.51 4.44 4.38 1ci8A1 PRO 238 HB2 -0.20 -0.07 -0.13 -0.04 2.28 1.84 1ci8A1 PRO 238 HB3 -0.03 0.01 -0.16 -0.04 2.02 1.80 1ci8A1 PRO 238 HG2 -0.11 -0.13 -0.28 -0.04 2.03 1.46 1ci8A1 PRO 238 HG3 -0.04 0.07 -0.12 -0.04 2.03 1.90 1ci8A1 PRO 238 HD2 -0.13 0.01 0.07 -0.04 3.68 3.59 1ci8A1 PRO 238 HD3 -0.06 0.50 0.22 -0.04 3.65 4.27 1ci8A1 VAL 239 H -0.26 0.51 0.26 -0.55 8.24 8.20 1ci8A1 VAL 239 HA 0.02 0.16 0.99 -0.75 4.13 4.55 1ci8A1 VAL 239 HB -0.63 -0.03 0.08 -0.04 2.12 1.50 1ci8A1 VAL 239 HG13 -0.07 0.04 -0.04 -0.04 0.97 0.86 1ci8A1 VAL 239 HG23 -0.07 0.02 -0.07 -0.04 0.95 0.79 1ci8A1 ARG 240 H 0.04 0.11 0.16 -0.55 8.46 8.22 1ci8A1 ARG 240 HA -0.65 0.18 0.52 -0.75 4.34 3.64 1ci8A1 ARG 240 HB2 -0.19 -0.06 0.11 -0.04 1.90 1.73 1ci8A1 ARG 240 HB3 -0.11 -0.04 0.14 -0.04 1.80 1.75 1ci8A1 ARG 240 HG2 -0.20 0.08 -0.18 -0.04 1.67 1.33 1ci8A1 ARG 240 HG3 -0.51 0.08 0.03 -0.04 1.67 1.23 1ci8A1 ARG 240 HD2 -0.13 -0.10 0.01 -0.04 3.22 2.97 1ci8A1 ARG 240 HD3 -0.09 -0.02 -0.01 -0.04 3.22 3.06 1ci8A1 MET 241 H -0.27 0.68 0.40 -0.55 8.47 8.73 1ci8A1 MET 241 HA -0.04 0.11 0.73 -0.75 4.52 4.57 1ci8A1 MET 241 HB2 -0.11 -0.05 0.01 -0.04 2.15 1.95 1ci8A1 MET 241 HB3 -0.03 -0.01 0.03 -0.04 2.03 1.98 1ci8A1 MET 241 HG2 -0.01 0.06 -0.10 -0.04 2.63 2.54 1ci8A1 MET 241 HG3 -0.19 0.10 -0.30 -0.04 2.56 2.13 1ci8A1 MET 241 HE3 -0.87 -0.01 -0.14 -0.04 2.10 1.03 1ci8A1 ARG 242 H 0.01 0.17 0.21 -0.55 8.46 8.30 1ci8A1 ARG 242 HA -0.02 0.15 0.84 -0.75 4.34 4.55 1ci8A1 ARG 242 HB2 0.00 0.03 0.07 -0.04 1.90 1.97 1ci8A1 ARG 242 HB3 -0.01 -0.06 0.17 -0.04 1.80 1.86 1ci8A1 ARG 242 HG2 -0.04 0.07 -0.14 -0.04 1.67 1.52 1ci8A1 ARG 242 HG3 -0.03 0.05 -0.21 -0.04 1.67 1.44 1ci8A1 ARG 242 HD2 -0.02 0.01 -0.04 -0.04 3.22 3.14 1ci8A1 ARG 242 HD3 -0.01 0.00 -0.00 -0.04 3.22 3.17 1ci8A1 ASP 243 H 0.00 0.10 0.16 -0.55 8.40 8.12 1ci8A1 ASP 243 HA 0.03 0.06 0.68 -0.75 4.63 4.65 1ci8A1 ASP 243 HB2 -0.00 0.03 0.16 -0.04 2.71 2.87 1ci8A1 ASP 243 HB3 -0.00 0.06 -0.00 -0.04 2.70 2.71 1ci8A1 GLY 244 H 0.02 0.33 0.34 -0.55 8.43 8.58 1ci8A1 GLY 244 HA2 -0.02 -0.08 0.35 -0.51 4.01 3.75 1ci8A1 GLY 244 HA3 -0.01 0.10 0.60 -0.51 4.01 4.20 1ci8A1 ILE 245 H 0.05 0.30 -0.12 -0.55 8.25 7.93 1ci8A1 ILE 245 HA 0.03 0.08 0.55 -0.75 4.18 4.09 1ci8A1 ILE 245 HB 0.06 0.04 0.09 -0.04 1.89 2.04 1ci8A1 ILE 245 HG12 0.10 0.17 0.13 -0.04 1.49 1.84 1ci8A1 ILE 245 HG13 0.16 -0.08 -0.24 -0.04 1.21 1.00 1ci8A1 ILE 245 HG23 0.05 0.04 -0.00 -0.04 0.93 0.97 1ci8A1 ILE 245 HD13 0.13 -0.00 -0.02 -0.04 0.88 0.95 1ci8A1 GLU 246 H 0.03 0.17 0.22 -0.55 8.60 8.48 1ci8A1 GLU 246 HA 0.01 0.23 0.99 -0.75 4.29 4.76 1ci8A1 GLU 246 HB2 0.01 0.02 -0.01 -0.04 2.09 2.08 1ci8A1 GLU 246 HB3 0.05 0.01 0.08 -0.04 1.99 2.09 1ci8A1 GLU 246 HG2 0.11 0.02 -0.27 -0.04 2.34 2.15 1ci8A1 GLU 246 HG3 0.01 -0.06 -0.27 -0.04 2.34 1.98 1ci8A1 VAL 247 H 0.07 0.58 0.27 -0.55 8.24 8.62 1ci8A1 VAL 247 HA 0.00 0.27 1.01 -0.75 4.13 4.66 1ci8A1 VAL 247 HB 0.34 -0.09 0.10 -0.04 2.12 2.43 1ci8A1 VAL 247 HG13 -0.05 0.04 -0.06 -0.04 0.97 0.86 1ci8A1 VAL 247 HG23 -0.04 0.00 -0.22 -0.04 0.95 0.65 1ci8A1 PRO 248 HA 0.08 0.11 0.77 -0.51 4.44 4.89 1ci8A1 PRO 248 HB2 0.05 -0.01 0.12 -0.04 2.28 2.40 1ci8A1 PRO 248 HB3 0.04 0.10 0.13 -0.04 2.02 2.25 1ci8A1 PRO 248 HG2 0.03 0.02 0.08 -0.04 2.03 2.13 1ci8A1 PRO 248 HG3 0.06 -0.01 0.02 -0.04 2.03 2.06 1ci8A1 PRO 248 HD2 0.02 0.11 0.23 -0.04 3.68 3.99 1ci8A1 PRO 248 HD3 0.03 0.22 0.08 -0.04 3.65 3.94 1ci8A1 LEU 249 H 0.01 0.34 0.07 -0.55 8.37 8.24 1ci8A1 LEU 249 HA -0.49 0.01 0.38 -0.75 4.35 3.50 1ci8A1 LEU 249 HB2 -0.07 0.14 -0.50 -0.04 1.64 1.17 1ci8A1 LEU 249 HB3 -0.17 0.07 -0.22 -0.04 1.64 1.29 1ci8A1 LEU 249 HG -0.19 -0.08 -0.19 -0.04 1.64 1.13 1ci8A1 LEU 249 HD13 -0.03 0.01 -0.35 -0.04 0.93 0.52 1ci8A1 LEU 249 HD23 -0.51 0.00 -0.07 -0.04 0.89 0.28 1ci8A1 PRO 250 HA -0.04 0.08 0.57 -0.51 4.44 4.54 1ci8A1 PRO 250 HB2 -0.12 0.13 -0.07 -0.04 2.28 2.18 1ci8A1 PRO 250 HB3 -0.11 -0.03 0.06 -0.04 2.02 1.90 1ci8A1 PRO 250 HG2 -1.03 0.08 -0.06 -0.04 2.03 0.97 1ci8A1 PRO 250 HG3 -0.57 -0.01 -0.02 -0.04 2.03 1.39 1ci8A1 PRO 250 HD2 -0.79 0.03 0.14 -0.04 3.68 3.02 1ci8A1 PRO 250 HD3 -0.40 0.08 0.09 -0.04 3.65 3.38 1ci8A1 GLU 251 H 0.00 0.07 0.11 -0.55 8.60 8.25 1ci8A1 GLU 251 HA 0.02 -0.00 0.35 -0.75 4.29 3.90 1ci8A1 GLU 251 HB2 0.03 0.01 0.11 -0.04 2.09 2.20 1ci8A1 GLU 251 HB3 0.02 0.02 0.04 -0.04 1.99 2.03 1ci8A1 GLU 251 HG2 0.01 0.02 0.08 -0.04 2.34 2.41 1ci8A1 GLU 251 HG3 0.01 -0.03 0.14 -0.04 2.34 2.42 1ci8A1 GLY 252 H 0.02 0.09 0.20 -0.55 8.43 8.19 1ci8A1 GLY 252 HA2 -0.01 -0.02 0.36 -0.51 4.01 3.82 1ci8A1 GLY 252 HA3 -0.03 0.12 0.43 -0.51 4.01 4.02 1ci8A1 HIS 253 H 0.10 0.36 -0.07 -0.55 8.41 8.25 1ci8A1 HIS 253 HA -0.06 0.27 1.09 -0.75 4.63 5.18 1ci8A1 HIS 253 HB2 -0.17 0.12 -0.06 -0.04 3.26 3.11 1ci8A1 HIS 253 HB3 -0.17 -0.15 0.08 -0.04 3.20 2.92 1ci8A1 HIS 253 HD2 -0.23 -0.11 -0.02 -0.04 6.97 6.57 1ci8A1 HIS 253 HE1 -0.12 0.02 -0.10 -0.04 7.75 7.51 1ci8A1 GLY 254 H 0.02 0.03 0.03 -0.55 8.43 7.96 1ci8A1 GLY 254 HA2 -0.01 0.10 0.28 -0.51 4.01 3.87 1ci8A1 GLY 254 HA3 0.01 0.09 0.75 -0.51 4.01 4.36 1ci8A1 ALA 255 H -0.04 0.93 0.24 -0.55 8.40 8.98 1ci8A1 ALA 255 HA -0.03 0.12 0.51 -0.75 4.34 4.19 1ci8A1 ALA 255 HB3 -0.14 -0.04 -0.06 -0.04 1.41 1.13 1ci8A1 ALA 256 H 0.21 0.23 0.21 -0.55 8.40 8.50 1ci8A1 ALA 256 HA 0.08 0.09 0.61 -0.75 4.34 4.37 1ci8A1 ALA 256 HB3 0.20 0.03 -0.26 -0.04 1.41 1.33 1ci8A1 VAL 257 H 0.05 0.68 0.26 -0.55 8.24 8.68 1ci8A1 VAL 257 HA -0.16 0.05 0.83 -0.75 4.13 4.10 1ci8A1 VAL 257 HB -0.42 0.09 0.05 -0.04 2.12 1.80 1ci8A1 VAL 257 HG13 -0.92 -0.03 -0.26 -0.04 0.97 -0.28 1ci8A1 VAL 257 HG23 -0.15 -0.01 -0.13 -0.04 0.95 0.62 1ci8A1 ARG 258 H -0.37 0.08 0.07 -0.55 8.46 7.70 1ci8A1 ARG 258 HA -0.14 0.38 0.78 -0.75 4.34 4.60 1ci8A1 ARG 258 HB2 -0.42 -0.02 0.00 -0.04 1.90 1.41 1ci8A1 ARG 258 HB3 -0.32 -0.17 0.14 -0.04 1.80 1.42 1ci8A1 ARG 258 HG2 -0.18 -0.08 -0.06 -0.04 1.67 1.31 1ci8A1 ARG 258 HG3 -0.11 0.09 -0.20 -0.04 1.67 1.41 1ci8A1 ARG 258 HD2 -0.07 0.46 -0.15 -0.04 3.22 3.42 1ci8A1 ARG 258 HD3 -0.15 -0.10 -0.15 -0.04 3.22 2.79 1ci8A1 PHE 259 H 0.11 0.59 0.14 -0.55 8.34 8.62 1ci8A1 PHE 259 HA -0.08 0.10 0.59 -0.75 4.62 4.48 1ci8A1 PHE 259 HB2 -0.03 0.08 0.04 -0.04 3.15 3.20 1ci8A1 PHE 259 HB3 0.01 -0.01 -0.14 -0.04 3.06 2.88 1ci8A1 PHE 259 HD2 -0.30 0.04 -0.09 -0.04 7.28 6.89 1ci8A1 PHE 259 HE2 -0.54 -0.03 -0.16 -0.04 7.38 6.60 1ci8A1 PHE 259 HZ -0.18 0.17 -0.06 -0.04 7.32 7.22 1ci8A1 ALA 260 H 0.19 0.42 0.07 -0.55 8.40 8.54 1ci8A1 ALA 260 HA 0.05 0.06 0.86 -0.75 4.34 4.56 1ci8A1 ALA 260 HB3 -0.01 0.03 0.11 -0.04 1.41 1.50 1ci8A1 PRO 261 HA 0.01 0.09 0.39 -0.51 4.44 4.43 1ci8A1 PRO 261 HB2 -0.02 0.02 -0.01 -0.04 2.28 2.24 1ci8A1 PRO 261 HB3 -0.05 0.09 0.13 -0.04 2.02 2.15 1ci8A1 PRO 261 HG2 -0.02 0.26 -0.21 -0.04 2.03 2.02 1ci8A1 PRO 261 HG3 0.07 0.02 -0.04 -0.04 2.03 2.04 1ci8A1 PRO 261 HD2 0.03 0.01 -0.23 -0.04 3.68 3.45 1ci8A1 PRO 261 HD3 0.11 0.19 -0.44 -0.04 3.65 3.47 1ci8A1 SER 262 H -0.01 0.03 -0.43 -0.55 8.46 7.51 1ci8A1 SER 262 HA 0.05 0.17 0.56 -0.75 4.49 4.53 1ci8A1 SER 262 HB2 0.08 0.04 0.07 -0.04 3.95 4.10 1ci8A1 SER 262 HB3 0.03 -0.01 0.04 -0.04 3.93 3.96 1ci8A1 ARG 263 H -0.07 0.58 -0.23 -0.55 8.46 8.19 1ci8A1 ARG 263 HA -0.08 -0.03 0.36 -0.75 4.34 3.84 1ci8A1 ARG 263 HB2 -0.04 0.05 0.10 -0.04 1.90 1.97 1ci8A1 ARG 263 HB3 -0.05 0.03 0.08 -0.04 1.80 1.81 1ci8A1 ARG 263 HG2 -0.09 0.03 -0.04 -0.04 1.67 1.53 1ci8A1 ARG 263 HG3 -0.11 -0.13 -0.00 -0.04 1.67 1.38 1ci8A1 ARG 263 HD2 -0.06 0.05 -0.40 -0.04 3.22 2.77 1ci8A1 ARG 263 HD3 -0.03 0.03 -0.05 -0.04 3.22 3.13 1ci8A1 VAL 264 H -0.39 0.19 -0.26 -0.55 8.24 7.23 1ci8A1 VAL 264 HA -0.17 0.23 0.30 -0.75 4.13 3.74 1ci8A1 VAL 264 HB -0.35 -0.01 0.05 -0.04 2.12 1.77 1ci8A1 VAL 264 HG13 -1.76 0.04 -0.08 -0.04 0.97 -0.88 1ci8A1 VAL 264 HG23 -0.24 -0.00 -0.08 -0.04 0.95 0.58 1ci8A1 PHE 265 H -0.37 0.36 -0.47 -0.55 8.34 7.31 1ci8A1 PHE 265 HA -0.14 0.32 0.85 -0.75 4.62 4.91 1ci8A1 PHE 265 HB2 -0.13 0.06 0.07 -0.04 3.15 3.10 1ci8A1 PHE 265 HB3 -0.13 -0.03 0.13 -0.04 3.06 2.99 1ci8A1 PHE 265 HD2 -0.24 0.12 -0.12 -0.04 7.28 7.00 1ci8A1 PHE 265 HE2 -0.57 -0.03 -0.21 -0.04 7.38 6.54 1ci8A1 PHE 265 HZ -0.72 0.04 -0.07 -0.04 7.32 6.53 1ci8A1 GLU 266 H -0.03 0.43 -0.08 -0.55 8.60 8.38 1ci8A1 GLU 266 HA 0.03 0.12 0.63 -0.75 4.29 4.31 1ci8A1 GLU 266 HB2 -0.01 0.01 0.03 -0.04 2.09 2.08 1ci8A1 GLU 266 HB3 -0.03 0.15 0.23 -0.04 1.99 2.30 1ci8A1 GLU 266 HG2 -0.03 0.00 -0.09 -0.04 2.34 2.19 1ci8A1 GLU 266 HG3 -0.02 -0.21 -0.20 -0.04 2.34 1.87 1ci8A1 PRO 267 HA 0.04 0.11 0.41 -0.51 4.44 4.49 1ci8A1 PRO 267 HB2 0.02 -0.01 -0.01 -0.04 2.28 2.23 1ci8A1 PRO 267 HB3 0.03 0.01 0.08 -0.04 2.02 2.10 1ci8A1 PRO 267 HG2 0.02 0.00 0.08 -0.04 2.03 2.09 1ci8A1 PRO 267 HG3 0.03 0.09 0.04 -0.04 2.03 2.15 1ci8A1 PRO 267 HD2 0.02 -0.00 0.23 -0.04 3.68 3.88 1ci8A1 PRO 267 HD3 0.03 0.49 0.42 -0.04 3.65 4.55 1ci8A1 GLY 268 H 0.01 0.06 -0.35 -0.55 8.43 7.60 1ci8A1 GLY 268 HA2 0.02 0.12 0.58 -0.51 4.01 4.23 1ci8A1 GLY 268 HA3 0.01 -0.03 0.21 -0.51 4.01 3.69 1ci8A1 ALA 269 H -0.01 0.43 -0.39 -0.55 8.40 7.88 1ci8A1 ALA 269 HA -0.11 -0.00 0.65 -0.75 4.34 4.12 1ci8A1 ALA 269 HB3 -0.08 0.02 0.13 -0.04 1.41 1.43 1ci8A1 TYR 270 H -0.09 0.13 0.18 -0.55 8.29 7.96 1ci8A1 TYR 270 HA -0.00 0.11 0.46 -0.75 4.56 4.37 1ci8A1 TYR 270 HB2 0.01 -0.08 0.13 -0.04 3.06 3.07 1ci8A1 TYR 270 HB3 0.01 -0.03 0.20 -0.04 2.98 3.12 1ci8A1 TYR 270 HD2 -0.02 0.24 -0.35 -0.04 7.15 6.98 1ci8A1 TYR 270 HE2 -0.05 -0.04 -0.08 -0.04 6.85 6.63 1ci8A1 PRO 271 HA 0.15 0.14 0.48 -0.51 4.44 4.69 1ci8A1 PRO 271 HB2 -0.49 -0.01 0.03 -0.04 2.28 1.76 1ci8A1 PRO 271 HB3 -0.45 0.03 0.12 -0.04 2.02 1.69 1ci8A1 PRO 271 HG2 -0.04 -0.00 0.20 -0.04 2.03 2.14 1ci8A1 PRO 271 HG3 -0.13 -0.07 0.17 -0.04 2.03 1.96 1ci8A1 PRO 271 HD2 0.11 -0.05 0.27 -0.04 3.68 3.97 1ci8A1 PRO 271 HD3 0.01 0.26 0.22 -0.04 3.65 4.10 1ci8A1 SER 272 H 0.28 0.29 0.24 -0.55 8.46 8.71 1ci8A1 SER 272 HA 0.30 0.13 0.88 -0.75 4.49 5.05 1ci8A1 SER 272 HB2 0.13 0.16 0.09 -0.04 3.95 4.29 1ci8A1 SER 272 HB3 0.16 0.09 0.22 -0.04 3.93 4.36 1ci8A1 GLY 273 H 0.17 0.24 0.14 -0.55 8.43 8.43 1ci8A1 GLY 273 HA2 0.25 0.11 0.27 -0.51 4.01 4.13 1ci8A1 GLY 273 HA3 0.13 0.27 0.15 -0.51 4.01 4.05 1ci8A1 GLY 274 H 0.20 -0.01 -0.37 -0.55 8.43 7.71 1ci8A1 GLY 274 HA2 0.24 0.27 0.75 -0.51 4.01 4.76 1ci8A1 GLY 274 HA3 0.24 -0.01 0.24 -0.51 4.01 3.98 1ci8A1 ALA 275 H 0.21 0.01 -0.21 -0.55 8.40 7.86 1ci8A1 ALA 275 HA 0.21 0.21 0.51 -0.75 4.34 4.53 1ci8A1 ALA 275 HB3 0.15 0.01 -0.17 -0.04 1.41 1.36 1ci8A1 GLY 276 H 0.20 0.44 0.18 -0.55 8.43 8.71 1ci8A1 GLY 276 HA2 0.12 0.23 0.57 -0.51 4.01 4.42 1ci8A1 GLY 276 HA3 0.22 -0.16 0.48 -0.51 4.01 4.04 1ci8A1 MET 277 H -0.05 0.03 -0.04 -0.55 8.47 7.86 1ci8A1 MET 277 HA -0.39 0.33 1.13 -0.75 4.52 4.83 1ci8A1 MET 277 HB2 -0.23 -0.11 0.03 -0.04 2.15 1.80 1ci8A1 MET 277 HB3 -0.40 0.14 0.19 -0.04 2.03 1.92 1ci8A1 MET 277 HG2 -1.72 0.03 -0.19 -0.04 2.63 0.71 1ci8A1 MET 277 HG3 -1.13 -0.11 -0.14 -0.04 2.56 1.14 1ci8A1 MET 277 HE3 -0.27 0.00 -0.05 -0.04 2.10 1.73 1ci8A1 TYR 278 H -0.37 0.56 0.37 -0.55 8.29 8.31 1ci8A1 TYR 278 HA 0.06 0.15 0.97 -0.75 4.56 4.99 1ci8A1 TYR 278 HB2 0.21 0.03 -0.01 -0.04 3.06 3.25 1ci8A1 TYR 278 HB3 0.18 0.01 -0.09 -0.04 2.98 3.03 1ci8A1 TYR 278 HD2 0.00 0.09 -0.40 -0.04 7.15 6.80 1ci8A1 TYR 278 HE2 0.07 0.01 -0.56 -0.04 6.85 6.33 1ci8A1 GLY 279 H 0.11 0.47 0.33 -0.55 8.43 8.80 1ci8A1 GLY 279 HA2 -0.09 0.34 0.45 -0.51 4.01 4.21 1ci8A1 GLY 279 HA3 -0.10 0.03 0.48 -0.51 4.01 3.91 1ci8A1 SER 280 H -0.03 0.06 0.09 -0.55 8.46 8.04 1ci8A1 SER 280 HA 0.07 0.47 0.72 -0.75 4.49 5.00 1ci8A1 SER 280 HB2 -0.00 -0.00 0.13 -0.04 3.95 4.04 1ci8A1 SER 280 HB3 -0.02 0.18 0.04 -0.04 3.93 4.10 1ci8A1 ALA 281 H 0.04 0.37 0.14 -0.55 8.40 8.40 1ci8A1 ALA 281 HA -0.11 0.10 0.37 -0.75 4.34 3.95 1ci8A1 ALA 281 HB3 -0.07 0.05 0.00 -0.04 1.41 1.36 1ci8A1 ASP 282 H -0.04 0.15 -0.10 -0.55 8.40 7.87 1ci8A1 ASP 282 HA -0.06 0.11 0.35 -0.75 4.63 4.28 1ci8A1 ASP 282 HB2 -0.04 -0.06 0.02 -0.04 2.71 2.59 1ci8A1 ASP 282 HB3 -0.05 0.09 -0.10 -0.04 2.70 2.61 1ci8A1 ASP 283 H -0.06 0.04 -0.35 -0.55 8.40 7.49 1ci8A1 ASP 283 HA -0.08 0.15 0.44 -0.75 4.63 4.38 1ci8A1 ASP 283 HB2 -0.07 0.01 0.03 -0.04 2.71 2.63 1ci8A1 ASP 283 HB3 -0.10 0.08 -0.13 -0.04 2.70 2.51 1ci8A1 VAL 284 H -0.10 0.38 -0.32 -0.55 8.24 7.64 1ci8A1 VAL 284 HA -0.16 0.04 0.35 -0.75 4.13 3.60 1ci8A1 VAL 284 HB -0.14 0.11 0.05 -0.04 2.12 2.10 1ci8A1 VAL 284 HG13 -0.23 -0.00 -0.15 -0.04 0.97 0.55 1ci8A1 VAL 284 HG23 -0.13 0.02 -0.12 -0.04 0.95 0.68 1ci8A1 LEU 285 H -0.11 0.50 -0.24 -0.55 8.37 7.97 1ci8A1 LEU 285 HA -0.13 -0.02 0.22 -0.75 4.35 3.67 1ci8A1 LEU 285 HB2 -0.07 0.01 0.02 -0.04 1.64 1.56 1ci8A1 LEU 285 HB3 -0.07 0.13 0.05 -0.04 1.64 1.71 1ci8A1 LEU 285 HG -0.07 0.01 -0.18 -0.04 1.64 1.36 1ci8A1 LEU 285 HD13 -0.07 -0.02 -0.09 -0.04 0.93 0.72 1ci8A1 LEU 285 HD23 -0.04 -0.01 -0.12 -0.04 0.89 0.68 1ci8A1 ARG 286 H -0.11 0.40 -0.41 -0.55 8.46 7.80 1ci8A1 ARG 286 HA -0.10 0.02 0.38 -0.75 4.34 3.87 1ci8A1 ARG 286 HB2 -0.11 0.14 0.13 -0.04 1.90 2.02 1ci8A1 ARG 286 HB3 -0.12 0.09 -0.00 -0.04 1.80 1.73 1ci8A1 ARG 286 HG2 -0.07 -0.05 -0.00 -0.04 1.67 1.50 1ci8A1 ARG 286 HG3 -0.08 0.17 0.02 -0.04 1.67 1.74 1ci8A1 ARG 286 HD2 -0.06 -0.22 -0.19 -0.04 3.22 2.71 1ci8A1 ARG 286 HD3 -0.07 0.50 -0.09 -0.04 3.22 3.53 1ci8A1 ALA 287 H -0.16 0.40 -0.19 -0.55 8.40 7.90 1ci8A1 ALA 287 HA -0.21 0.06 0.35 -0.75 4.34 3.77 1ci8A1 ALA 287 HB3 -0.18 0.01 0.00 -0.04 1.41 1.20 1ci8A1 LEU 288 H -0.23 0.62 -0.09 -0.55 8.37 8.12 1ci8A1 LEU 288 HA -0.30 0.02 0.36 -0.75 4.35 3.68 1ci8A1 LEU 288 HB2 -0.17 0.06 0.02 -0.04 1.64 1.50 1ci8A1 LEU 288 HB3 -0.18 -0.04 -0.07 -0.04 1.64 1.31 1ci8A1 LEU 288 HG -0.38 0.18 -0.14 -0.04 1.64 1.26 1ci8A1 LEU 288 HD13 -0.13 -0.02 -0.16 -0.04 0.93 0.58 1ci8A1 LEU 288 HD23 -1.25 -0.02 -0.12 -0.04 0.89 -0.54 1ci8A1 GLU 289 H -0.13 0.67 -0.23 -0.55 8.60 8.36 1ci8A1 GLU 289 HA -0.06 -0.03 0.42 -0.75 4.29 3.87 1ci8A1 GLU 289 HB2 -0.09 0.18 0.12 -0.04 2.09 2.25 1ci8A1 GLU 289 HB3 -0.06 -0.03 -0.05 -0.04 1.99 1.81 1ci8A1 GLU 289 HG2 -0.07 0.01 -0.01 -0.04 2.34 2.23 1ci8A1 GLU 289 HG3 -0.06 -0.02 -0.08 -0.04 2.34 2.15 1ci8A1 ALA 290 H -0.15 0.49 -0.22 -0.55 8.40 7.97 1ci8A1 ALA 290 HA -0.10 0.01 0.36 -0.75 4.34 3.85 1ci8A1 ALA 290 HB3 -0.37 0.04 0.05 -0.04 1.41 1.09 1ci8A1 ILE 291 H -0.10 0.41 -0.32 -0.55 8.25 7.70 1ci8A1 ILE 291 HA 0.04 0.01 0.38 -0.75 4.18 3.85 1ci8A1 ILE 291 HB -0.07 0.13 0.16 -0.04 1.89 2.06 1ci8A1 ILE 291 HG12 0.03 -0.05 -0.05 -0.04 1.49 1.38 1ci8A1 ILE 291 HG13 -0.06 0.09 -0.00 -0.04 1.21 1.19 1ci8A1 ILE 291 HG23 0.06 -0.02 -0.16 -0.04 0.93 0.76 1ci8A1 ILE 291 HD13 -0.11 -0.03 -0.14 -0.04 0.88 0.56 1ci8A1 ARG 292 H -0.02 0.59 -0.07 -0.55 8.46 8.40 1ci8A1 ARG 292 HA 0.04 -0.01 0.30 -0.75 4.34 3.92 1ci8A1 ARG 292 HB2 0.01 0.01 0.04 -0.04 1.90 1.92 1ci8A1 ARG 292 HB3 -0.01 0.01 0.09 -0.04 1.80 1.85 1ci8A1 ARG 292 HG2 0.01 0.04 -0.27 -0.04 1.67 1.40 1ci8A1 ARG 292 HG3 0.03 -0.07 -0.09 -0.04 1.67 1.50 1ci8A1 ARG 292 HD2 -0.07 -0.14 -0.33 -0.04 3.22 2.64 1ci8A1 ARG 292 HD3 -0.01 0.01 -0.39 -0.04 3.22 2.78 1ci8A1 ALA 293 H -0.00 0.71 -0.07 -0.55 8.40 8.49 1ci8A1 ALA 293 HA 0.03 0.17 0.82 -0.75 4.34 4.61 1ci8A1 ALA 293 HB3 0.02 -0.02 -0.02 -0.04 1.41 1.35 1ci8A1 ASN 294 H 0.03 0.43 -0.30 -0.55 8.53 8.14 1ci8A1 ASN 294 HA 0.08 0.13 0.39 -0.75 4.76 4.61 1ci8A1 ASN 294 HB2 0.08 0.16 0.03 -0.04 2.88 3.10 1ci8A1 ASN 294 HB3 0.06 -0.01 -0.04 -0.04 2.79 2.75 1ci8A1 ASN 294 HD21 0.06 0.63 0.00 -0.04 7.03 7.68 1ci8A1 ASN 294 HD22 0.06 -0.04 -0.03 -0.04 7.74 7.68 1ci8A1 PRO 295 HA 0.04 0.14 0.79 -0.51 4.44 4.90 1ci8A1 PRO 295 HB2 0.03 -0.00 0.13 -0.04 2.28 2.40 1ci8A1 PRO 295 HB3 0.02 0.05 0.04 -0.04 2.02 2.09 1ci8A1 PRO 295 HG2 0.03 0.03 0.08 -0.04 2.03 2.13 1ci8A1 PRO 295 HG3 -0.00 0.03 -0.02 -0.04 2.03 2.00 1ci8A1 PRO 295 HD2 0.03 0.06 0.05 -0.04 3.68 3.78 1ci8A1 PRO 295 HD3 0.01 0.10 -0.30 -0.04 3.65 3.42 1ci8A1 GLY 296 H 0.06 0.39 -0.04 -0.55 8.43 8.29 1ci8A1 GLY 296 HA2 0.04 -0.02 0.21 -0.51 4.01 3.73 1ci8A1 GLY 296 HA3 0.05 0.06 0.22 -0.51 4.01 3.83 1ci8A1 PHE 297 H 0.19 0.01 -0.50 -0.55 8.34 7.48 1ci8A1 PHE 297 HA 0.00 0.17 0.47 -0.75 4.62 4.51 1ci8A1 PHE 297 HB2 -0.00 0.04 -0.08 -0.04 3.15 3.07 1ci8A1 PHE 297 HB3 0.00 -0.03 -0.06 -0.04 3.06 2.94 1ci8A1 PHE 297 HD2 -0.00 0.00 -0.12 -0.04 7.28 7.12 1ci8A1 PHE 297 HE2 -0.01 -0.03 -0.05 -0.04 7.38 7.26 1ci8A1 PHE 297 HZ -0.01 0.06 0.10 -0.04 7.32 7.43 1ci8A1 LEU 298 H 0.08 0.14 -0.05 -0.55 8.37 8.00 1ci8A1 LEU 298 HA -0.11 0.23 0.65 -0.75 4.35 4.37 1ci8A1 LEU 298 HB2 0.07 -0.05 -0.07 -0.04 1.64 1.55 1ci8A1 LEU 298 HB3 0.01 -0.02 -0.06 -0.04 1.64 1.54 1ci8A1 LEU 298 HG 0.08 -0.01 -0.37 -0.04 1.64 1.30 1ci8A1 LEU 298 HD13 0.11 -0.01 -0.15 -0.04 0.93 0.83 1ci8A1 LEU 298 HD23 -0.13 0.06 -0.14 -0.04 0.89 0.64 1ci8A1 PRO 299 HA 0.01 0.08 0.48 -0.51 4.44 4.50 1ci8A1 PRO 299 HB2 0.01 -0.13 0.04 -0.04 2.28 2.16 1ci8A1 PRO 299 HB3 0.00 0.13 0.13 -0.04 2.02 2.24 1ci8A1 PRO 299 HG2 0.01 -0.12 0.12 -0.04 2.03 2.00 1ci8A1 PRO 299 HG3 -0.01 0.16 0.13 -0.04 2.03 2.27 1ci8A1 PRO 299 HD2 -0.04 0.15 0.23 -0.04 3.68 3.97 1ci8A1 PRO 299 HD3 -0.04 0.25 0.10 -0.04 3.65 3.91 1ci8A1 GLU 300 H 0.02 0.17 0.19 -0.55 8.60 8.44 1ci8A1 GLU 300 HA 0.04 0.15 0.35 -0.75 4.29 4.08 1ci8A1 GLU 300 HB2 0.02 -0.06 0.13 -0.04 2.09 2.15 1ci8A1 GLU 300 HB3 0.03 0.05 0.06 -0.04 1.99 2.09 1ci8A1 GLU 300 HG2 0.02 0.05 0.08 -0.04 2.34 2.46 1ci8A1 GLU 300 HG3 0.03 0.09 0.15 -0.04 2.34 2.57 1ci8A1 THR 301 H 0.03 0.10 -0.13 -0.55 8.28 7.72 1ci8A1 THR 301 HA 0.03 0.09 0.39 -0.75 4.39 4.15 1ci8A1 THR 301 HB 0.03 0.03 0.03 -0.04 4.32 4.37 1ci8A1 THR 301 HG23 0.02 0.01 0.03 -0.04 1.22 1.24 1ci8A1 LEU 302 H 0.04 0.16 -0.21 -0.55 8.37 7.81 1ci8A1 LEU 302 HA 0.10 0.02 0.40 -0.75 4.35 4.11 1ci8A1 LEU 302 HB2 0.05 -0.04 0.07 -0.04 1.64 1.67 1ci8A1 LEU 302 HB3 0.04 0.15 0.04 -0.04 1.64 1.83 1ci8A1 LEU 302 HG 0.09 0.03 -0.20 -0.04 1.64 1.51 1ci8A1 LEU 302 HD13 0.13 -0.03 0.02 -0.04 0.93 1.02 1ci8A1 LEU 302 HD23 0.01 0.01 0.01 -0.04 0.89 0.88 1ci8A1 ALA 303 H 0.05 0.52 -0.23 -0.55 8.40 8.20 1ci8A1 ALA 303 HA 0.09 0.03 0.40 -0.75 4.34 4.10 1ci8A1 ALA 303 HB3 0.06 0.04 -0.03 -0.04 1.41 1.44 1ci8A1 ASP 304 H 0.04 0.57 -0.14 -0.55 8.40 8.32 1ci8A1 ASP 304 HA 0.03 0.06 0.36 -0.75 4.63 4.33 1ci8A1 ASP 304 HB2 0.02 0.07 0.17 -0.04 2.71 2.93 1ci8A1 ASP 304 HB3 0.01 -0.06 0.01 -0.04 2.70 2.62 1ci8A1 ALA 305 H 0.03 0.51 -0.16 -0.55 8.40 8.24 1ci8A1 ALA 305 HA -0.06 -0.00 0.31 -0.75 4.34 3.84 1ci8A1 ALA 305 HB3 0.04 0.02 0.08 -0.04 1.41 1.51 1ci8A1 ALA 306 H 0.06 0.54 -0.26 -0.55 8.40 8.19 1ci8A1 ALA 306 HA -0.10 -0.07 0.43 -0.75 4.34 3.86 1ci8A1 ALA 306 HB3 0.20 0.03 0.05 -0.04 1.41 1.65 1ci8A1 ARG 307 H 0.01 0.42 -0.35 -0.55 8.46 7.99 1ci8A1 ARG 307 HA 0.03 0.02 0.69 -0.75 4.34 4.32 1ci8A1 ARG 307 HB2 0.03 0.08 0.07 -0.04 1.90 2.04 1ci8A1 ARG 307 HB3 0.05 -0.05 0.10 -0.04 1.80 1.86 1ci8A1 ARG 307 HG2 0.08 -0.10 -0.10 -0.04 1.67 1.51 1ci8A1 ARG 307 HG3 0.06 0.04 -0.08 -0.04 1.67 1.65 1ci8A1 ARG 307 HD2 0.06 -0.08 -0.04 -0.04 3.22 3.12 1ci8A1 ARG 307 HD3 0.06 0.20 -0.06 -0.04 3.22 3.38 1ci8A1 ARG 308 H -0.06 0.26 -0.31 -0.55 8.46 7.80 1ci8A1 ARG 308 HA -0.02 0.01 0.57 -0.75 4.34 4.15 1ci8A1 ARG 308 HB2 -0.02 0.09 0.03 -0.04 1.90 1.95 1ci8A1 ARG 308 HB3 -0.07 0.11 0.09 -0.04 1.80 1.88 1ci8A1 ARG 308 HG2 -0.03 0.16 -0.16 -0.04 1.67 1.60 1ci8A1 ARG 308 HG3 -0.02 -0.12 0.07 -0.04 1.67 1.56 1ci8A1 ARG 308 HD2 -0.02 -0.02 -0.07 -0.04 3.22 3.07 1ci8A1 ARG 308 HD3 -0.01 -0.04 -0.03 -0.04 3.22 3.10 1ci8A1 ASP 309 H -0.02 0.09 0.09 -0.55 8.40 8.01 1ci8A1 ASP 309 HA -0.01 0.06 0.37 -0.75 4.63 4.30 1ci8A1 ASP 309 HB2 -0.02 0.06 0.06 -0.04 2.71 2.77 1ci8A1 ASP 309 HB3 -0.01 0.04 0.14 -0.04 2.70 2.82 1ci8A1 GLN 310 H 0.05 0.84 0.52 -0.55 8.47 9.34 1ci8A1 GLN 310 HA 0.07 0.13 0.82 -0.75 4.36 4.63 1ci8A1 GLN 310 HB2 0.10 0.13 0.06 -0.04 2.15 2.40 1ci8A1 GLN 310 HB3 0.20 -0.08 0.09 -0.04 2.02 2.19 1ci8A1 GLN 310 HG2 -0.16 0.22 -0.15 -0.04 2.40 2.28 1ci8A1 GLN 310 HG3 -0.48 -0.05 -0.12 -0.04 2.39 1.70 1ci8A1 GLN 310 HE21 -0.09 -0.15 -0.03 -0.04 6.97 6.67 1ci8A1 GLN 310 HE22 -0.28 0.58 0.05 -0.04 7.69 8.00 1ci8A1 ALA 311 H 0.09 -0.08 0.23 -0.55 8.40 8.09 1ci8A1 ALA 311 HA 0.16 0.32 1.05 -0.75 4.34 5.11 1ci8A1 ALA 311 HB3 0.14 -0.02 0.08 -0.04 1.41 1.57 1ci8A1 GLY 312 H 0.02 -0.08 0.05 -0.55 8.43 7.87 1ci8A1 GLY 312 HA2 -0.00 0.04 0.33 -0.51 4.01 3.87 1ci8A1 GLY 312 HA3 0.01 0.28 0.83 -0.51 4.01 4.62 1ci8A1 VAL 313 H -0.03 0.21 0.11 -0.55 8.24 7.99 1ci8A1 VAL 313 HA -0.04 0.07 0.10 -0.75 4.13 3.51 1ci8A1 VAL 313 HB -0.05 -0.04 -0.05 -0.04 2.12 1.94 1ci8A1 VAL 313 HG13 -0.08 0.02 -0.03 -0.04 0.97 0.84 1ci8A1 VAL 313 HG23 -0.03 0.03 -0.01 -0.04 0.95 0.90 1ci8A1 GLY 314 H -0.01 0.04 -0.27 -0.55 8.43 7.64 1ci8A1 GLY 314 HA2 -0.01 0.05 0.34 -0.51 4.01 3.88 1ci8A1 GLY 314 HA3 -0.00 0.07 0.22 -0.51 4.01 3.78 1ci8A1 ALA 315 H -0.03 0.25 -0.55 -0.55 8.40 7.52 1ci8A1 ALA 315 HA 0.05 0.05 0.34 -0.75 4.34 4.02 1ci8A1 ALA 315 HB3 -0.25 0.02 -0.02 -0.04 1.41 1.11 1ci8A1 GLU 316 H -0.05 0.32 -0.32 -0.55 8.60 8.01 1ci8A1 GLU 316 HA 0.04 -0.00 0.35 -0.75 4.29 3.93 1ci8A1 GLU 316 HB2 0.01 0.10 -0.17 -0.04 2.09 1.99 1ci8A1 GLU 316 HB3 0.02 -0.19 -0.34 -0.04 1.99 1.44 1ci8A1 GLU 316 HG2 0.01 -0.09 0.02 -0.04 2.34 2.24 1ci8A1 GLU 316 HG3 0.00 0.29 -0.22 -0.04 2.34 2.37 1ci8A1 THR 317 H -0.24 0.32 -0.22 -0.55 8.28 7.60 1ci8A1 THR 317 HA -0.49 0.09 0.22 -0.75 4.39 3.47 1ci8A1 THR 317 HB -0.41 -0.06 -0.02 -0.04 4.32 3.79 1ci8A1 THR 317 HG23 -1.72 -0.00 -0.22 -0.04 1.22 -0.76 1ci8A1 ARG 318 H -0.07 0.12 -0.37 -0.55 8.46 7.60 1ci8A1 ARG 318 HA -0.33 0.16 0.70 -0.75 4.34 4.11 1ci8A1 ARG 318 HB2 -2.03 -0.03 -0.00 -0.04 1.90 -0.20 1ci8A1 ARG 318 HB3 -0.85 0.02 0.10 -0.04 1.80 1.03 1ci8A1 ARG 318 HG2 -0.37 0.09 -0.16 -0.04 1.67 1.19 1ci8A1 ARG 318 HG3 -0.44 -0.09 -0.26 -0.04 1.67 0.84 1ci8A1 ARG 318 HD2 -0.54 0.03 -0.19 -0.04 3.22 2.48 1ci8A1 ARG 318 HD3 -2.12 -0.03 -0.13 -0.04 3.22 0.90 1ci8A1 GLY 319 H -0.06 0.56 -0.15 -0.55 8.43 8.23 1ci8A1 GLY 319 HA2 -0.00 0.03 0.35 -0.51 4.01 3.87 1ci8A1 GLY 319 HA3 0.02 0.17 0.72 -0.51 4.01 4.42 1ci8A1 PRO 320 HA 0.04 0.00 0.47 -0.51 4.44 4.44 1ci8A1 PRO 320 HB2 -0.01 -0.02 -0.06 -0.04 2.28 2.15 1ci8A1 PRO 320 HB3 0.01 -0.00 0.11 -0.04 2.02 2.09 1ci8A1 PRO 320 HG2 0.03 0.22 0.09 -0.04 2.03 2.33 1ci8A1 PRO 320 HG3 0.01 0.01 0.10 -0.04 2.03 2.11 1ci8A1 PRO 320 HD2 0.04 0.16 0.25 -0.04 3.68 4.08 1ci8A1 PRO 320 HD3 0.02 0.09 0.18 -0.04 3.65 3.90 1ci8A1 GLY 321 H -0.03 0.17 0.15 -0.55 8.43 8.18 1ci8A1 GLY 321 HA2 -0.15 -0.09 0.38 -0.51 4.01 3.64 1ci8A1 GLY 321 HA3 -0.24 0.24 0.62 -0.51 4.01 4.13 1ci8A1 TRP 322 H 0.15 0.34 -0.19 -0.55 7.97 7.73 1ci8A1 TRP 322 HA -0.09 0.09 0.96 -0.75 4.62 4.82 1ci8A1 TRP 322 HB2 -0.11 -0.01 -0.08 -0.04 3.23 2.99 1ci8A1 TRP 322 HB3 -0.09 0.07 -0.13 -0.04 3.23 3.03 1ci8A1 TRP 322 HD1 -0.08 0.25 -0.53 -0.04 7.22 6.81 1ci8A1 TRP 322 HE1 -0.10 0.13 -0.08 -0.04 10.20 10.10 1ci8A1 TRP 322 HE3 -0.07 -0.04 -0.51 -0.04 7.59 6.93 1ci8A1 TRP 322 HZ2 -0.15 0.03 -0.13 -0.04 7.44 7.15 1ci8A1 TRP 322 HZ3 -0.08 0.11 -0.39 -0.04 7.13 6.73 1ci8A1 TRP 322 HH2 -0.15 -0.02 -0.23 -0.04 7.19 6.74 1ci8A1 GLY 323 H 0.07 0.72 0.29 -0.55 8.43 8.97 1ci8A1 GLY 323 HA2 -0.10 0.33 0.85 -0.51 4.01 4.58 1ci8A1 GLY 323 HA3 -0.02 -0.14 0.31 -0.51 4.01 3.65 1ci8A1 PHE 324 H 0.04 0.02 0.30 -0.55 8.34 8.15 1ci8A1 PHE 324 HA -0.05 0.15 0.92 -0.75 4.62 4.88 1ci8A1 PHE 324 HB2 -0.56 -0.07 -0.26 -0.04 3.15 2.22 1ci8A1 PHE 324 HB3 0.11 0.09 0.03 -0.04 3.06 3.26 1ci8A1 PHE 324 HD2 -0.08 0.15 -0.11 -0.04 7.28 7.19 1ci8A1 PHE 324 HE2 -0.84 0.05 -0.18 -0.04 7.38 6.37 1ci8A1 PHE 324 HZ -0.45 -0.03 -0.18 -0.04 7.32 6.62 1ci8A1 GLY 325 H -0.36 0.56 0.19 -0.55 8.43 8.26 1ci8A1 GLY 325 HA2 -0.03 0.15 0.90 -0.51 4.01 4.52 1ci8A1 GLY 325 HA3 -0.07 0.16 0.35 -0.51 4.01 3.93 1ci8A1 TYR 326 H 0.05 0.63 0.31 -0.55 8.29 8.73 1ci8A1 TYR 326 HA 0.13 0.23 0.76 -0.75 4.56 4.92 1ci8A1 TYR 326 HB2 0.06 0.02 0.11 -0.04 3.06 3.22 1ci8A1 TYR 326 HB3 0.05 -0.05 0.09 -0.04 2.98 3.03 1ci8A1 TYR 326 HD2 0.04 0.08 -0.17 -0.04 7.15 7.07 1ci8A1 TYR 326 HE2 -0.07 -0.01 -0.08 -0.04 6.85 6.65 1ci8A1 LEU 327 H 0.04 0.02 0.11 -0.55 8.37 7.99 1ci8A1 LEU 327 HA 0.16 0.19 0.91 -0.75 4.35 4.86 1ci8A1 LEU 327 HB2 0.14 0.04 -0.08 -0.04 1.64 1.70 1ci8A1 LEU 327 HB3 0.15 -0.05 0.03 -0.04 1.64 1.72 1ci8A1 LEU 327 HG 0.16 -0.08 -0.31 -0.04 1.64 1.36 1ci8A1 LEU 327 HD13 0.10 0.02 -0.15 -0.04 0.93 0.86 1ci8A1 LEU 327 HD23 0.11 0.01 -0.10 -0.04 0.89 0.86 1ci8A1 SER 328 H -0.38 0.09 0.13 -0.55 8.46 7.75 1ci8A1 SER 328 HA -0.66 0.08 0.41 -0.75 4.49 3.57 1ci8A1 SER 328 HB2 -0.06 0.16 0.05 -0.04 3.95 4.06 1ci8A1 SER 328 HB3 0.49 0.12 -0.22 -0.04 3.93 4.28 1ci8A1 ALA 329 H -0.21 0.56 0.35 -0.55 8.40 8.55 1ci8A1 ALA 329 HA -0.28 0.19 0.76 -0.75 4.34 4.25 1ci8A1 ALA 329 HB3 0.12 -0.01 0.05 -0.04 1.41 1.54 1ci8A1 VAL 330 H 0.11 0.33 -0.15 -0.55 8.24 7.99 1ci8A1 VAL 330 HA 0.13 0.43 0.80 -0.75 4.13 4.74 1ci8A1 VAL 330 HB 0.00 -0.26 -0.15 -0.04 2.12 1.66 1ci8A1 VAL 330 HG13 -0.01 0.02 -0.24 -0.04 0.97 0.70 1ci8A1 VAL 330 HG23 -0.05 0.03 -0.48 -0.04 0.95 0.42 1ci8A1 LEU 331 H -0.05 0.82 0.14 -0.55 8.37 8.74 1ci8A1 LEU 331 HA -0.97 0.07 0.52 -0.75 4.35 3.21 1ci8A1 LEU 331 HB2 -1.31 0.09 -0.04 -0.04 1.64 0.34 1ci8A1 LEU 331 HB3 -0.39 -0.17 0.16 -0.04 1.64 1.21 1ci8A1 LEU 331 HG -0.53 -0.11 -0.50 -0.04 1.64 0.46 1ci8A1 LEU 331 HD13 -1.46 0.03 -0.24 -0.04 0.93 -0.78 1ci8A1 LEU 331 HD23 -0.38 0.06 -0.43 -0.04 0.89 0.10 1ci8A1 ASP 332 H -0.37 0.65 0.49 -0.55 8.40 8.62 1ci8A1 ASP 332 HA -0.15 0.13 0.90 -0.75 4.63 4.75 1ci8A1 ASP 332 HB2 -0.14 0.06 0.11 -0.04 2.71 2.69 1ci8A1 ASP 332 HB3 -0.10 -0.03 0.06 -0.04 2.70 2.58 1ci8A1 ASP 333 H -0.35 0.49 0.23 -0.55 8.40 8.21 1ci8A1 ASP 333 HA -0.18 0.26 0.99 -0.75 4.63 4.95 1ci8A1 ASP 333 HB2 -0.14 0.02 -0.01 -0.04 2.71 2.55 1ci8A1 ASP 333 HB3 -0.18 -0.05 0.26 -0.04 2.70 2.69 1ci8A1 PRO 334 HA -0.32 0.09 0.38 -0.51 4.44 4.08 1ci8A1 PRO 334 HB2 -0.20 -0.07 0.09 -0.04 2.28 2.06 1ci8A1 PRO 334 HB3 -0.25 0.40 0.03 -0.04 2.02 2.16 1ci8A1 PRO 334 HG2 -0.19 -0.07 0.07 -0.04 2.03 1.80 1ci8A1 PRO 334 HG3 -0.26 0.08 -0.23 -0.04 2.03 1.57 1ci8A1 PRO 334 HD2 -0.17 0.10 0.19 -0.04 3.68 3.76 1ci8A1 PRO 334 HD3 -0.22 0.17 -0.25 -0.04 3.65 3.30 1ci8A1 ALA 335 H -0.15 0.11 -0.08 -0.55 8.40 7.73 1ci8A1 ALA 335 HA -0.11 0.14 0.37 -0.75 4.34 3.98 1ci8A1 ALA 335 HB3 -0.09 0.00 0.05 -0.04 1.41 1.33 1ci8A1 ALA 336 H -0.12 0.02 -0.24 -0.55 8.40 7.51 1ci8A1 ALA 336 HA -0.06 0.09 0.41 -0.75 4.34 4.02 1ci8A1 ALA 336 HB3 -0.08 -0.01 -0.02 -0.04 1.41 1.26 1ci8A1 ALA 337 H -0.17 0.31 -0.24 -0.55 8.40 7.75 1ci8A1 ALA 337 HA 0.03 0.27 0.54 -0.75 4.34 4.43 1ci8A1 ALA 337 HB3 -0.25 -0.05 0.05 -0.04 1.41 1.12 1ci8A1 GLY 338 H -0.08 0.19 -0.61 -0.55 8.43 7.38 1ci8A1 GLY 338 HA2 -0.07 0.01 0.25 -0.51 4.01 3.70 1ci8A1 GLY 338 HA3 -0.03 -0.00 0.29 -0.51 4.01 3.76 1ci8A1 THR 339 H -0.14 0.43 -0.08 -0.55 8.28 7.94 1ci8A1 THR 339 HA -0.12 0.27 1.00 -0.75 4.39 4.79 1ci8A1 THR 339 HB -0.03 0.16 -0.19 -0.04 4.32 4.21 1ci8A1 THR 339 HG23 -0.22 0.01 -0.12 -0.04 1.22 0.85 1ci8A1 PRO 340 HA -0.28 0.11 0.52 -0.51 4.44 4.27 1ci8A1 PRO 340 HB2 -0.48 0.03 -0.01 -0.04 2.28 1.77 1ci8A1 PRO 340 HB3 -0.19 0.03 0.03 -0.04 2.02 1.85 1ci8A1 PRO 340 HG2 -0.80 -0.00 -0.09 -0.04 2.03 1.10 1ci8A1 PRO 340 HG3 -0.17 0.05 -0.06 -0.04 2.03 1.82 1ci8A1 PRO 340 HD2 -0.21 0.11 0.17 -0.04 3.68 3.71 1ci8A1 PRO 340 HD3 -0.15 0.17 0.04 -0.04 3.65 3.67 1ci8A1 GLN 341 H -0.46 0.02 -0.32 -0.55 8.47 7.17 1ci8A1 GLN 341 HA -0.37 0.02 0.36 -0.75 4.36 3.62 1ci8A1 GLN 341 HB2 -0.26 -0.00 -0.07 -0.04 2.15 1.78 1ci8A1 GLN 341 HB3 -0.13 -0.00 -0.02 -0.04 2.02 1.82 1ci8A1 GLN 341 HG2 -0.43 -0.01 -0.05 -0.04 2.40 1.88 1ci8A1 GLN 341 HG3 -0.54 -0.02 -0.04 -0.04 2.39 1.75 1ci8A1 GLN 341 HE21 -0.55 0.05 -0.10 -0.04 6.97 6.33 1ci8A1 GLN 341 HE22 -2.23 -0.04 -0.10 -0.04 7.69 5.27 1ci8A1 HIS 342 H 0.29 0.02 0.13 -0.55 8.41 8.31 1ci8A1 HIS 342 HA -0.10 0.16 0.65 -0.75 4.63 4.58 1ci8A1 HIS 342 HB2 0.03 -0.15 0.06 -0.04 3.26 3.16 1ci8A1 HIS 342 HB3 -0.02 0.07 0.06 -0.04 3.20 3.28 1ci8A1 HIS 342 HD2 0.01 -0.01 0.01 -0.04 6.97 6.94 1ci8A1 HIS 342 HE1 0.15 0.05 -0.01 -0.04 7.75 7.90 1ci8A1 ALA 343 H -0.05 0.10 0.14 -0.55 8.40 8.05 1ci8A1 ALA 343 HA -0.16 0.05 0.27 -0.75 4.34 3.74 1ci8A1 ALA 343 HB3 -0.07 0.01 0.11 -0.04 1.41 1.42 1ci8A1 GLY 344 H -0.11 0.79 0.34 -0.55 8.43 8.91 1ci8A1 GLY 344 HA2 -0.02 0.02 0.37 -0.51 4.01 3.88 1ci8A1 GLY 344 HA3 0.01 0.10 0.78 -0.51 4.01 4.39 1ci8A1 THR 345 H -0.05 0.26 -0.01 -0.55 8.28 7.93 1ci8A1 THR 345 HA 0.14 0.10 0.65 -0.75 4.39 4.52 1ci8A1 THR 345 HB -0.06 -0.07 0.04 -0.04 4.32 4.19 1ci8A1 THR 345 HG23 0.22 -0.01 -0.31 -0.04 1.22 1.08 1ci8A1 LEU 346 H 0.25 0.54 0.44 -0.55 8.37 9.05 1ci8A1 LEU 346 HA 0.18 0.40 1.00 -0.75 4.35 5.18 1ci8A1 LEU 346 HB2 0.47 -0.15 0.16 -0.04 1.64 2.08 1ci8A1 LEU 346 HB3 0.36 -0.00 0.02 -0.04 1.64 1.97 1ci8A1 LEU 346 HG 0.18 0.05 0.15 -0.04 1.64 1.98 1ci8A1 LEU 346 HD13 0.19 -0.01 -0.03 -0.04 0.93 1.03 1ci8A1 LEU 346 HD23 0.09 0.02 -0.06 -0.04 0.89 0.90 1ci8A1 GLN 347 H -0.06 0.54 0.26 -0.55 8.47 8.66 1ci8A1 GLN 347 HA -1.06 0.15 0.72 -0.75 4.36 3.42 1ci8A1 GLN 347 HB2 0.00 0.01 -0.13 -0.04 2.15 1.99 1ci8A1 GLN 347 HB3 -0.38 -0.07 -0.12 -0.04 2.02 1.41 1ci8A1 GLN 347 HG2 -0.53 -0.07 -0.13 -0.04 2.40 1.63 1ci8A1 GLN 347 HG3 -0.45 0.25 0.32 -0.04 2.39 2.47 1ci8A1 GLN 347 HE21 -0.07 -0.03 -0.07 -0.04 6.97 6.77 1ci8A1 GLN 347 HE22 -0.20 0.03 0.00 -0.04 7.69 7.48 1ci8A1 TRP 348 H -1.31 0.55 0.39 -0.55 7.97 7.05 1ci8A1 TRP 348 HA -0.36 0.07 0.36 -0.75 4.62 3.94 1ci8A1 TRP 348 HB2 -0.13 0.02 0.00 -0.04 3.23 3.08 1ci8A1 TRP 348 HB3 0.19 0.05 0.09 -0.04 3.23 3.52 1ci8A1 TRP 348 HD1 0.34 0.18 0.13 -0.04 7.22 7.82 1ci8A1 TRP 348 HE1 0.33 -0.06 0.09 -0.04 10.20 10.51 1ci8A1 TRP 348 HE3 -0.24 0.20 0.22 -0.04 7.59 7.74 1ci8A1 TRP 348 HZ2 -1.51 -0.07 0.04 -0.04 7.44 5.86 1ci8A1 TRP 348 HZ3 -0.17 0.01 -0.12 -0.04 7.13 6.81 1ci8A1 TRP 348 HH2 -0.08 0.12 0.05 -0.04 7.19 7.24 1ci8A1 GLY 349 H -0.89 0.15 0.18 -0.55 8.43 7.32 1ci8A1 GLY 349 HA2 0.05 0.09 0.50 -0.51 4.01 4.14 1ci8A1 GLY 349 HA3 -0.22 0.18 0.53 -0.51 4.01 4.00 1ci8A1 GLY 350 H 0.06 0.63 0.34 -0.55 8.43 8.91 1ci8A1 GLY 350 HA2 0.18 -0.06 0.73 -0.51 4.01 4.36 1ci8A1 GLY 350 HA3 0.29 0.20 0.47 -0.51 4.01 4.45 1ci8A1 VAL 351 H 0.10 0.13 0.23 -0.55 8.24 8.15 1ci8A1 VAL 351 HA 0.18 0.13 0.41 -0.75 4.13 4.10 1ci8A1 VAL 351 HB 0.26 0.06 0.10 -0.04 2.12 2.50 1ci8A1 VAL 351 HG13 -0.02 0.02 0.05 -0.04 0.97 0.98 1ci8A1 VAL 351 HG23 -0.09 -0.01 0.02 -0.04 0.95 0.83 1ci8A1 TYR 352 H 0.08 0.04 -0.41 -0.55 8.29 7.45 1ci8A1 TYR 352 HA 0.01 0.11 0.52 -0.75 4.56 4.45 1ci8A1 TYR 352 HB2 -0.08 0.04 -0.03 -0.04 3.06 2.94 1ci8A1 TYR 352 HB3 -0.03 0.11 0.05 -0.04 2.98 3.07 1ci8A1 TYR 352 HD2 0.04 -0.00 -0.03 -0.04 7.15 7.12 1ci8A1 TYR 352 HE2 0.02 0.02 0.00 -0.04 6.85 6.86 1ci8A1 GLY 353 H -0.11 0.39 -0.25 -0.55 8.43 7.91 1ci8A1 GLY 353 HA2 0.02 -0.13 0.11 -0.51 4.01 3.50 1ci8A1 GLY 353 HA3 0.00 0.15 0.65 -0.51 4.01 4.30 1ci8A1 HIS 354 H -0.05 0.36 0.26 -0.55 8.41 8.43 1ci8A1 HIS 354 HA 0.06 0.36 1.08 -0.75 4.63 5.38 1ci8A1 HIS 354 HB2 0.15 -0.15 -0.04 -0.04 3.26 3.18 1ci8A1 HIS 354 HB3 0.10 0.14 0.11 -0.04 3.20 3.51 1ci8A1 HIS 354 HD2 0.20 0.15 -0.04 -0.04 6.97 7.24 1ci8A1 HIS 354 HE1 0.28 0.15 -0.10 -0.04 7.75 8.04 1ci8A1 SER 355 H 0.18 0.62 0.43 -0.55 8.46 9.14 1ci8A1 SER 355 HA -0.01 0.14 0.96 -0.75 4.49 4.82 1ci8A1 SER 355 HB2 -0.00 0.21 0.06 -0.04 3.95 4.18 1ci8A1 SER 355 HB3 0.07 -0.05 0.09 -0.04 3.93 4.00 1ci8A1 TRP 356 H -0.24 0.62 0.47 -0.55 7.97 8.27 1ci8A1 TRP 356 HA -0.00 0.23 0.76 -0.75 4.62 4.85 1ci8A1 TRP 356 HB2 -0.01 0.05 0.18 -0.04 3.23 3.42 1ci8A1 TRP 356 HB3 0.01 -0.06 0.01 -0.04 3.23 3.15 1ci8A1 TRP 356 HD1 0.11 -0.06 -0.23 -0.04 7.22 7.00 1ci8A1 TRP 356 HE1 0.27 0.03 -0.14 -0.04 10.20 10.32 1ci8A1 TRP 356 HE3 0.08 0.04 -0.38 -0.04 7.59 7.29 1ci8A1 TRP 356 HZ2 0.19 0.13 -0.12 -0.04 7.44 7.60 1ci8A1 TRP 356 HZ3 0.12 -0.01 -0.23 -0.04 7.13 6.96 1ci8A1 TRP 356 HH2 0.09 0.02 -0.25 -0.04 7.19 7.01 1ci8A1 PHE 357 H 0.15 0.59 0.41 -0.55 8.34 8.94 1ci8A1 PHE 357 HA 0.02 0.22 0.60 -0.75 4.62 4.70 1ci8A1 PHE 357 HB2 0.10 0.08 0.13 -0.04 3.15 3.42 1ci8A1 PHE 357 HB3 -0.05 0.09 0.01 -0.04 3.06 3.06 1ci8A1 PHE 357 HD2 0.12 -0.00 -0.31 -0.04 7.28 7.05 1ci8A1 PHE 357 HE2 0.16 -0.01 -0.10 -0.04 7.38 7.39 1ci8A1 PHE 357 HZ 0.17 0.04 -0.06 -0.04 7.32 7.43 1ci8A1 VAL 358 H 0.50 0.63 0.28 -0.55 8.24 9.09 1ci8A1 VAL 358 HA 0.21 0.37 1.06 -0.75 4.13 5.02 1ci8A1 VAL 358 HB 0.32 -0.06 0.24 -0.04 2.12 2.58 1ci8A1 VAL 358 HG13 0.11 0.01 -0.15 -0.04 0.97 0.90 1ci8A1 VAL 358 HG23 0.28 -0.00 -0.09 -0.04 0.95 1.10 1ci8A1 ASP 359 H 0.32 0.34 -0.01 -0.55 8.40 8.50 1ci8A1 ASP 359 HA 0.22 0.10 0.78 -0.75 4.63 4.97 1ci8A1 ASP 359 HB2 0.49 0.06 0.08 -0.04 2.71 3.30 1ci8A1 ASP 359 HB3 0.25 -0.02 0.20 -0.04 2.70 3.09 1ci8A1 ARG 360 H 0.11 0.36 -0.06 -0.55 8.46 8.32 1ci8A1 ARG 360 HA 0.03 0.08 0.36 -0.75 4.34 4.06 1ci8A1 ARG 360 HB2 0.05 -0.01 0.05 -0.04 1.90 1.95 1ci8A1 ARG 360 HB3 0.04 0.05 0.00 -0.04 1.80 1.85 1ci8A1 ARG 360 HG2 0.08 -0.01 0.01 -0.04 1.67 1.71 1ci8A1 ARG 360 HG3 0.10 0.08 0.08 -0.04 1.67 1.90 1ci8A1 ARG 360 HD2 0.08 0.03 0.06 -0.04 3.22 3.35 1ci8A1 ARG 360 HD3 0.05 0.02 0.07 -0.04 3.22 3.33 1ci8A1 ALA 361 H 0.02 0.13 -0.16 -0.55 8.40 7.84 1ci8A1 ALA 361 HA -0.00 0.12 0.38 -0.75 4.34 4.07 1ci8A1 ALA 361 HB3 -0.09 0.01 0.04 -0.04 1.41 1.33 1ci8A1 LEU 362 H -0.08 0.09 -0.35 -0.55 8.37 7.49 1ci8A1 LEU 362 HA -0.06 0.23 0.86 -0.75 4.35 4.62 1ci8A1 LEU 362 HB2 -0.03 -0.03 0.05 -0.04 1.64 1.59 1ci8A1 LEU 362 HB3 -0.06 0.03 0.13 -0.04 1.64 1.70 1ci8A1 LEU 362 HG -0.49 -0.11 -0.07 -0.04 1.64 0.94 1ci8A1 LEU 362 HD13 0.16 0.01 -0.01 -0.04 0.93 1.05 1ci8A1 LEU 362 HD23 -0.11 0.04 -0.04 -0.04 0.89 0.73 1ci8A1 GLY 363 H -0.12 0.38 -0.31 -0.55 8.43 7.82 1ci8A1 GLY 363 HA2 -0.29 0.11 0.30 -0.51 4.01 3.62 1ci8A1 GLY 363 HA3 -1.13 -0.00 0.39 -0.51 4.01 2.76 1ci8A1 LEU 364 H -0.06 0.25 -0.24 -0.55 8.37 7.78 1ci8A1 LEU 364 HA -0.08 0.35 0.91 -0.75 4.35 4.78 1ci8A1 LEU 364 HB2 0.07 -0.09 0.10 -0.04 1.64 1.68 1ci8A1 LEU 364 HB3 0.00 -0.02 -0.16 -0.04 1.64 1.42 1ci8A1 LEU 364 HG -0.06 0.08 -0.08 -0.04 1.64 1.54 1ci8A1 LEU 364 HD13 -0.09 -0.01 -0.07 -0.04 0.93 0.72 1ci8A1 LEU 364 HD23 -0.08 0.03 -0.05 -0.04 0.89 0.75 1ci8A1 SER 365 H -0.07 0.65 0.33 -0.55 8.46 8.82 1ci8A1 SER 365 HA -0.01 0.21 0.91 -0.75 4.49 4.84 1ci8A1 SER 365 HB2 -0.05 -0.06 0.11 -0.04 3.95 3.91 1ci8A1 SER 365 HB3 -0.05 -0.02 -0.01 -0.04 3.93 3.81 1ci8A1 VAL 366 H -0.29 0.77 0.34 -0.55 8.24 8.50 1ci8A1 VAL 366 HA -0.16 0.26 1.07 -0.75 4.13 4.54 1ci8A1 VAL 366 HB -1.63 -0.04 0.13 -0.04 2.12 0.54 1ci8A1 VAL 366 HG13 -0.14 0.01 -0.10 -0.04 0.97 0.70 1ci8A1 VAL 366 HG23 -0.31 -0.02 -0.13 -0.04 0.95 0.45 1ci8A1 LEU 367 H -0.02 0.66 0.37 -0.55 8.37 8.84 1ci8A1 LEU 367 HA 0.11 0.23 1.19 -0.75 4.35 5.13 1ci8A1 LEU 367 HB2 0.01 0.00 -0.10 -0.04 1.64 1.51 1ci8A1 LEU 367 HB3 -0.02 -0.05 0.07 -0.04 1.64 1.59 1ci8A1 LEU 367 HG -0.05 0.04 -0.41 -0.04 1.64 1.17 1ci8A1 LEU 367 HD13 0.01 0.01 -0.09 -0.04 0.93 0.82 1ci8A1 LEU 367 HD23 -0.10 -0.04 -0.08 -0.04 0.89 0.62 1ci8A1 LEU 368 H 0.11 0.69 0.38 -0.55 8.37 9.01 1ci8A1 LEU 368 HA 0.08 0.17 1.04 -0.75 4.35 4.88 1ci8A1 LEU 368 HB2 0.12 -0.03 -0.08 -0.04 1.64 1.61 1ci8A1 LEU 368 HB3 0.11 0.08 0.23 -0.04 1.64 2.02 1ci8A1 LEU 368 HG 0.13 0.01 -0.31 -0.04 1.64 1.44 1ci8A1 LEU 368 HD13 0.31 -0.01 -0.12 -0.04 0.93 1.07 1ci8A1 LEU 368 HD23 0.10 0.03 -0.12 -0.04 0.89 0.86 1ci8A1 LEU 369 H -0.13 0.65 0.30 -0.55 8.37 8.65 1ci8A1 LEU 369 HA -0.13 0.12 0.90 -0.75 4.35 4.49 1ci8A1 LEU 369 HB2 -0.99 -0.01 0.15 -0.04 1.64 0.74 1ci8A1 LEU 369 HB3 -1.76 0.04 -0.03 -0.04 1.64 -0.15 1ci8A1 LEU 369 HG -0.34 -0.03 -0.17 -0.04 1.64 1.06 1ci8A1 LEU 369 HD13 -0.43 -0.01 -0.23 -0.04 0.93 0.22 1ci8A1 LEU 369 HD23 -0.56 0.03 -0.12 -0.04 0.89 0.20 1ci8A1 THR 370 H 0.46 0.29 0.02 -0.55 8.28 8.49 1ci8A1 THR 370 HA 0.28 0.19 0.92 -0.75 4.39 5.03 1ci8A1 THR 370 HB 0.17 0.06 0.31 -0.04 4.32 4.82 1ci8A1 THR 370 HG23 0.16 0.03 -0.20 -0.04 1.22 1.17 1ci8A1 ASN 371 H 0.23 0.34 0.24 -0.55 8.53 8.80 1ci8A1 ASN 371 HA 0.24 0.20 0.79 -0.75 4.76 5.24 1ci8A1 ASN 371 HB2 0.22 0.35 0.07 -0.04 2.88 3.47 1ci8A1 ASN 371 HB3 0.19 -0.06 -0.08 -0.04 2.79 2.80 1ci8A1 ASN 371 HD21 0.08 0.01 0.00 -0.04 7.03 7.08 1ci8A1 ASN 371 HD22 0.20 0.13 0.13 -0.04 7.74 8.16 1ci8A1 THR 372 H 0.13 0.10 -0.08 -0.55 8.28 7.88 1ci8A1 THR 372 HA 0.07 0.34 0.98 -0.75 4.39 5.02 1ci8A1 THR 372 HB 0.06 -0.07 0.22 -0.04 4.32 4.49 1ci8A1 THR 372 HG23 0.01 0.05 -0.21 -0.04 1.22 1.03 1ci8A1 ALA 373 H -0.10 0.72 0.25 -0.55 8.40 8.73 1ci8A1 ALA 373 HA -0.11 -0.05 0.49 -0.75 4.34 3.91 1ci8A1 ALA 373 HB3 -0.47 0.02 0.15 -0.04 1.41 1.07 1ci8A1 TYR 374 H -0.03 0.13 0.14 -0.55 8.29 7.97 1ci8A1 TYR 374 HA -0.01 0.08 0.44 -0.75 4.56 4.32 1ci8A1 TYR 374 HB2 -0.07 0.09 0.08 -0.04 3.06 3.12 1ci8A1 TYR 374 HB3 -0.10 -0.04 0.18 -0.04 2.98 2.98 1ci8A1 TYR 374 HD2 -0.01 0.01 0.05 -0.04 7.15 7.16 1ci8A1 TYR 374 HE2 0.07 0.11 -0.15 -0.04 6.85 6.83 1ci8A1 GLU 375 H 0.03 0.22 -0.08 -0.55 8.60 8.23 1ci8A1 GLU 375 HA 0.03 -0.05 0.44 -0.75 4.29 3.95 1ci8A1 GLU 375 HB2 0.03 0.03 0.16 -0.04 2.09 2.27 1ci8A1 GLU 375 HB3 0.04 0.10 0.14 -0.04 1.99 2.22 1ci8A1 GLU 375 HG2 0.03 0.26 -0.05 -0.04 2.34 2.54 1ci8A1 GLU 375 HG3 0.03 -0.07 -0.23 -0.04 2.34 2.02 1ci8A1 GLY 376 H 0.05 0.48 -0.08 -0.55 8.43 8.34 1ci8A1 GLY 376 HA2 0.07 0.03 0.32 -0.51 4.01 3.92 1ci8A1 GLY 376 HA3 0.09 0.21 0.22 -0.51 4.01 4.02 1ci8A1 MET 377 H 0.05 0.22 -0.38 -0.55 8.47 7.81 1ci8A1 MET 377 HA 0.01 0.34 0.64 -0.75 4.52 4.75 1ci8A1 MET 377 HB2 0.04 -0.08 0.17 -0.04 2.15 2.24 1ci8A1 MET 377 HB3 0.06 -0.01 0.20 -0.04 2.03 2.25 1ci8A1 MET 377 HG2 -0.13 0.09 -0.28 -0.04 2.63 2.27 1ci8A1 MET 377 HG3 -0.12 0.00 0.08 -0.04 2.56 2.49 1ci8A1 MET 377 HE3 -0.35 0.02 -0.03 -0.04 2.10 1.70 1ci8A1 SER 378 H -0.01 0.45 0.15 -0.55 8.46 8.51 1ci8A1 SER 378 HA -0.06 0.25 0.92 -0.75 4.49 4.86 1ci8A1 SER 378 HB2 -0.13 0.03 0.05 -0.04 3.95 3.86 1ci8A1 SER 378 HB3 -0.14 0.04 -0.21 -0.04 3.93 3.58 1ci8A1 GLY 379 H 0.00 0.18 0.14 -0.55 8.43 8.21 1ci8A1 GLY 379 HA2 -0.01 0.14 0.46 -0.51 4.01 4.10 1ci8A1 GLY 379 HA3 0.01 -0.06 0.43 -0.51 4.01 3.88 1ci8A1 PRO 380 HA -0.01 0.10 0.44 -0.51 4.44 4.46 1ci8A1 PRO 380 HB2 -0.01 0.04 -0.02 -0.04 2.28 2.25 1ci8A1 PRO 380 HB3 -0.01 0.08 0.11 -0.04 2.02 2.16 1ci8A1 PRO 380 HG2 -0.00 -0.00 0.11 -0.04 2.03 2.09 1ci8A1 PRO 380 HG3 0.00 0.10 0.09 -0.04 2.03 2.17 1ci8A1 PRO 380 HD2 0.00 0.06 0.26 -0.04 3.68 3.97 1ci8A1 PRO 380 HD3 -0.00 0.19 0.16 -0.04 3.65 3.96 1ci8A1 LEU 381 H -0.01 0.13 -0.30 -0.55 8.37 7.65 1ci8A1 LEU 381 HA -0.06 0.03 0.22 -0.75 4.35 3.79 1ci8A1 LEU 381 HB2 0.00 -0.03 -0.06 -0.04 1.64 1.52 1ci8A1 LEU 381 HB3 0.00 0.15 -0.19 -0.04 1.64 1.55 1ci8A1 LEU 381 HG 0.01 -0.01 -0.16 -0.04 1.64 1.44 1ci8A1 LEU 381 HD13 0.10 0.00 -0.23 -0.04 0.93 0.76 1ci8A1 LEU 381 HD23 -0.22 -0.01 -0.15 -0.04 0.89 0.47 1ci8A1 THR 382 H -0.00 0.37 -0.41 -0.55 8.28 7.68 1ci8A1 THR 382 HA 0.02 0.02 0.31 -0.75 4.39 3.98 1ci8A1 THR 382 HB 0.01 -0.02 -0.10 -0.04 4.32 4.17 1ci8A1 THR 382 HG23 0.01 0.09 -0.39 -0.04 1.22 0.89 1ci8A1 ILE 383 H -0.01 0.29 -0.29 -0.55 8.25 7.69 1ci8A1 ILE 383 HA 0.00 0.07 0.47 -0.75 4.18 3.97 1ci8A1 ILE 383 HB -0.01 0.05 0.17 -0.04 1.89 2.06 1ci8A1 ILE 383 HG12 -0.01 0.07 -0.05 -0.04 1.49 1.46 1ci8A1 ILE 383 HG13 -0.01 0.00 -0.01 -0.04 1.21 1.15 1ci8A1 ILE 383 HG23 -0.01 -0.01 -0.11 -0.04 0.93 0.76 1ci8A1 ILE 383 HD13 -0.01 0.01 -0.05 -0.04 0.88 0.79 1ci8A1 ALA 384 H -0.02 0.73 0.03 -0.55 8.40 8.59 1ci8A1 ALA 384 HA -0.02 0.02 0.32 -0.75 4.34 3.90 1ci8A1 ALA 384 HB3 -0.05 0.00 0.00 -0.04 1.41 1.32 1ci8A1 LEU 385 H -0.05 0.49 -0.40 -0.55 8.37 7.87 1ci8A1 LEU 385 HA -0.10 0.04 0.47 -0.75 4.35 4.00 1ci8A1 LEU 385 HB2 -0.01 0.11 0.02 -0.04 1.64 1.72 1ci8A1 LEU 385 HB3 -0.06 -0.06 -0.07 -0.04 1.64 1.41 1ci8A1 LEU 385 HG -0.23 0.17 -0.02 -0.04 1.64 1.52 1ci8A1 LEU 385 HD13 -0.18 -0.02 -0.17 -0.04 0.93 0.52 1ci8A1 LEU 385 HD23 -0.63 -0.03 -0.09 -0.04 0.89 0.10 1ci8A1 ARG 386 H 0.07 0.48 -0.17 -0.55 8.46 8.28 1ci8A1 ARG 386 HA 0.32 -0.02 0.36 -0.75 4.34 4.25 1ci8A1 ARG 386 HB2 0.13 0.13 0.14 -0.04 1.90 2.26 1ci8A1 ARG 386 HB3 0.06 0.11 0.21 -0.04 1.80 2.14 1ci8A1 ARG 386 HG2 0.15 -0.06 -0.20 -0.04 1.67 1.51 1ci8A1 ARG 386 HG3 -0.07 -0.05 -0.02 -0.04 1.67 1.48 1ci8A1 ARG 386 HD2 -0.18 -0.12 -0.04 -0.04 3.22 2.84 1ci8A1 ARG 386 HD3 -0.07 0.05 -0.04 -0.04 3.22 3.13 1ci8A1 ASP 387 H 0.05 0.82 -0.05 -0.55 8.40 8.67 1ci8A1 ASP 387 HA 0.12 0.00 0.38 -0.75 4.63 4.37 1ci8A1 ASP 387 HB2 0.02 0.06 0.00 -0.04 2.71 2.75 1ci8A1 ASP 387 HB3 0.02 -0.05 -0.06 -0.04 2.70 2.58 1ci8A1 ALA 388 H 0.02 0.33 -0.54 -0.55 8.40 7.66 1ci8A1 ALA 388 HA 0.00 0.03 0.48 -0.75 4.34 4.11 1ci8A1 ALA 388 HB3 -0.05 -0.00 0.01 -0.04 1.41 1.32 1ci8A1 VAL 389 H 0.04 0.52 -0.18 -0.55 8.24 8.07 1ci8A1 VAL 389 HA -0.08 -0.02 0.34 -0.75 4.13 3.61 1ci8A1 VAL 389 HB 0.05 0.20 0.16 -0.04 2.12 2.49 1ci8A1 VAL 389 HG13 -0.31 -0.03 -0.20 -0.04 0.97 0.38 1ci8A1 VAL 389 HG23 0.01 0.04 0.01 -0.04 0.95 0.96 1ci8A1 TYR 390 H 0.18 0.38 -0.22 -0.55 8.29 8.08 1ci8A1 TYR 390 HA 0.05 0.09 0.54 -0.75 4.56 4.49 1ci8A1 TYR 390 HB2 0.02 0.07 -0.01 -0.04 3.06 3.10 1ci8A1 TYR 390 HB3 0.02 -0.04 0.08 -0.04 2.98 3.00 1ci8A1 TYR 390 HD2 0.07 0.20 -0.04 -0.04 7.15 7.34 1ci8A1 TYR 390 HE2 0.09 -0.04 -0.06 -0.04 6.85 6.80 1ci8A1 ALA 391 H 0.05 0.27 -0.88 -0.55 8.40 7.29 1ci8A1 ALA 391 HA 0.05 0.04 0.12 -0.75 4.34 3.79 1ci8A1 ALA 391 HB3 0.01 0.03 0.09 -0.04 1.41 1.50