============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 5 0.840 11.523 39.118 92.254 -99.200 -91.000 HIS 21 0.900 20.028 45.735 92.346 -99.200 -91.000 TRP 45 1.040 14.925 35.402 74.409 -99.200 -91.000 TRP6 45 1.020 14.716 36.693 76.385 -99.200 -91.000 PHE 56 1.000 14.205 35.709 90.187 -99.200 -91.000 HIS 79 0.900 22.163 41.712 62.336 -99.200 -91.000 TRP 83 1.040 20.530 38.589 63.426 -99.200 -91.000 TRP6 83 1.020 22.860 38.543 63.826 -99.200 -91.000 PHE 87 1.000 16.952 38.487 73.326 -99.200 -91.000 PHE 94 1.000 11.474 38.671 81.115 -99.200 -91.000 TYR 104 0.840 21.867 53.759 75.056 -99.200 -91.000 HIS 111 0.900 30.663 58.673 81.190 -99.200 -91.000 TYR 131 0.840 27.068 63.576 71.413 -99.200 -91.000 HIS 136 0.900 23.689 55.974 70.493 -99.200 -91.000 TRP 142 1.040 32.295 51.456 61.222 -99.200 -91.000 TRP6 142 1.020 30.326 52.028 60.043 -99.200 -91.000 TYR 144 0.840 37.549 38.814 62.245 -99.200 -91.000 TRP 154 1.040 43.727 46.381 64.721 -99.200 -91.000 TRP6 154 1.020 45.823 47.125 65.542 -99.200 -91.000 HIS 170 0.900 59.124 40.536 61.525 -99.200 -91.000 HIS 172 0.900 60.315 32.599 64.666 -99.200 -91.000 PHE 182 1.000 47.430 30.665 72.604 -99.200 -91.000 TRP 187 1.040 55.281 26.829 57.439 -99.200 -91.000 TRP6 187 1.020 53.811 26.536 55.619 -99.200 -91.000 TRP 191 1.040 45.176 29.245 66.648 -99.200 -91.000 TRP6 191 1.020 45.066 31.550 66.117 -99.200 -91.000 PHE 200 1.000 42.873 35.995 63.932 -99.200 -91.000 TRP 229 1.040 43.160 61.247 72.137 -99.200 -91.000 TRP6 229 1.020 45.273 62.240 71.790 -99.200 -91.000 TRP 256 1.040 52.101 49.875 75.665 -99.200 -91.000 TRP6 256 1.020 51.859 48.403 77.505 -99.200 -91.000 PHE 261 1.000 41.371 58.477 75.285 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1zc6A1 PRO 8 HA -0.00 -0.01 0.19 -0.51 4.44 4.10 1zc6A1 PRO 8 HB2 0.00 -0.00 -0.06 -0.04 2.28 2.18 1zc6A1 PRO 8 HB3 0.00 -0.01 0.04 -0.04 2.02 2.01 1zc6A1 PRO 8 HG2 0.01 -0.25 0.14 -0.04 2.03 1.90 1zc6A1 PRO 8 HG3 0.01 0.02 0.05 -0.04 2.03 2.07 1zc6A1 PRO 8 HD2 0.01 0.00 0.06 -0.04 3.68 3.71 1zc6A1 PRO 8 HD3 0.01 0.02 0.04 -0.04 3.65 3.68 1zc6A1 SER 9 H 0.01 0.09 0.10 -0.55 8.46 8.11 1zc6A1 SER 9 HA -0.00 0.06 0.50 -0.75 4.49 4.30 1zc6A1 SER 9 HB2 0.01 -0.05 0.12 -0.04 3.95 3.99 1zc6A1 SER 9 HB3 0.02 -0.01 0.15 -0.04 3.93 4.05 1zc6A1 ILE 10 H 0.02 0.01 -0.02 -0.55 8.25 7.71 1zc6A1 ILE 10 HA 0.05 0.03 0.31 -0.75 4.18 3.82 1zc6A1 ILE 10 HB 0.06 -0.00 -0.06 -0.04 1.89 1.85 1zc6A1 ILE 10 HG12 0.07 0.01 -0.20 -0.04 1.49 1.33 1zc6A1 ILE 10 HG13 0.07 -0.01 -0.10 -0.04 1.21 1.13 1zc6A1 ILE 10 HG23 0.03 -0.01 0.03 -0.04 0.93 0.94 1zc6A1 ILE 10 HD13 0.03 -0.00 -0.26 -0.04 0.88 0.61 1zc6A1 ARG 11 H -0.00 0.64 0.44 -0.55 8.46 8.99 1zc6A1 ARG 11 HA -0.13 0.12 0.94 -0.75 4.34 4.51 1zc6A1 ARG 11 HB2 -0.16 0.14 0.08 -0.04 1.90 1.91 1zc6A1 ARG 11 HB3 -0.60 0.00 0.10 -0.04 1.80 1.26 1zc6A1 ARG 11 HG2 -0.49 -0.07 0.10 -0.04 1.67 1.17 1zc6A1 ARG 11 HG3 -0.18 0.00 0.11 -0.04 1.67 1.56 1zc6A1 ARG 11 HD2 -0.11 0.07 0.03 -0.04 3.22 3.16 1zc6A1 ARG 11 HD3 -0.19 -0.02 0.03 -0.04 3.22 3.00 1zc6A1 TYR 12 H 0.11 0.37 0.39 -0.55 8.29 8.61 1zc6A1 TYR 12 HA 0.09 0.20 1.07 -0.75 4.56 5.17 1zc6A1 TYR 12 HB2 0.24 -0.08 0.05 -0.04 3.06 3.23 1zc6A1 TYR 12 HB3 0.14 0.05 -0.00 -0.04 2.98 3.13 1zc6A1 TYR 12 HD2 0.16 0.03 -0.09 -0.04 7.15 7.22 1zc6A1 TYR 12 HE2 0.11 -0.01 -0.06 -0.04 6.85 6.86 1zc6A1 LEU 13 H 0.21 0.84 0.18 -0.55 8.37 9.05 1zc6A1 LEU 13 HA 0.12 0.25 0.97 -0.75 4.35 4.93 1zc6A1 LEU 13 HB2 0.13 -0.07 -0.05 -0.04 1.64 1.61 1zc6A1 LEU 13 HB3 0.07 0.04 -0.07 -0.04 1.64 1.64 1zc6A1 LEU 13 HG 0.09 -0.12 -0.56 -0.04 1.64 1.01 1zc6A1 LEU 13 HD13 0.03 0.04 -0.17 -0.04 0.93 0.78 1zc6A1 LEU 13 HD23 0.06 0.04 -0.16 -0.04 0.89 0.80 1zc6A1 ILE 14 H 0.08 0.79 0.42 -0.55 8.25 8.99 1zc6A1 ILE 14 HA 0.05 0.30 1.26 -0.75 4.18 5.03 1zc6A1 ILE 14 HB 0.03 -0.09 0.07 -0.04 1.89 1.86 1zc6A1 ILE 14 HG12 0.04 0.04 -0.20 -0.04 1.49 1.33 1zc6A1 ILE 14 HG13 0.15 -0.02 -0.42 -0.04 1.21 0.89 1zc6A1 ILE 14 HG23 0.03 -0.02 -0.26 -0.04 0.93 0.65 1zc6A1 ILE 14 HD13 0.28 -0.02 -0.20 -0.04 0.88 0.89 1zc6A1 GLY 15 H 0.03 0.76 0.37 -0.55 8.43 9.05 1zc6A1 GLY 15 HA2 0.01 0.20 0.97 -0.51 4.01 4.68 1zc6A1 GLY 15 HA3 0.03 0.05 0.40 -0.51 4.01 3.98 1zc6A1 VAL 16 H -0.01 0.63 0.36 -0.55 8.24 8.66 1zc6A1 VAL 16 HA -0.01 0.37 1.25 -0.75 4.13 4.99 1zc6A1 VAL 16 HB -0.05 -0.10 0.10 -0.04 2.12 2.03 1zc6A1 VAL 16 HG13 -0.03 -0.02 -0.20 -0.04 0.97 0.68 1zc6A1 VAL 16 HG23 0.01 0.04 -0.26 -0.04 0.95 0.70 1zc6A1 ASP 17 H -0.02 0.81 0.33 -0.55 8.40 8.96 1zc6A1 ASP 17 HA -0.04 0.23 0.96 -0.75 4.63 5.02 1zc6A1 ASP 17 HB2 -0.02 -0.08 -0.19 -0.04 2.71 2.37 1zc6A1 ASP 17 HB3 -0.02 0.06 0.19 -0.04 2.70 2.89 1zc6A1 GLY 18 H -0.08 0.68 0.29 -0.55 8.43 8.78 1zc6A1 GLY 18 HA2 -0.05 0.34 1.24 -0.51 4.01 5.03 1zc6A1 GLY 18 HA3 -0.10 0.05 0.30 -0.51 4.01 3.75 1zc6A1 GLY 19 H -0.04 0.71 0.37 -0.55 8.43 8.92 1zc6A1 GLY 19 HA2 -0.04 0.00 0.66 -0.51 4.01 4.12 1zc6A1 GLY 19 HA3 -0.03 0.01 0.43 -0.51 4.01 3.91 1zc6A1 GLY 20 H -0.01 0.13 0.24 -0.55 8.43 8.24 1zc6A1 GLY 20 HA2 -0.03 0.12 0.61 -0.51 4.01 4.21 1zc6A1 GLY 20 HA3 -0.02 0.05 0.39 -0.51 4.01 3.92 1zc6A1 THR 21 H -0.01 -0.06 -0.04 -0.55 8.28 7.62 1zc6A1 THR 21 HA -0.00 0.18 0.55 -0.75 4.39 4.36 1zc6A1 THR 21 HB 0.00 0.13 0.05 -0.04 4.32 4.46 1zc6A1 THR 21 HG23 0.01 -0.03 0.05 -0.04 1.22 1.21 1zc6A1 GLY 22 H -0.02 -0.02 -0.26 -0.55 8.43 7.58 1zc6A1 GLY 22 HA2 -0.01 0.03 -0.24 -0.51 4.01 3.29 1zc6A1 GLY 22 HA3 -0.01 0.25 0.52 -0.51 4.01 4.26 1zc6A1 THR 23 H -0.01 0.45 0.04 -0.55 8.28 8.21 1zc6A1 THR 23 HA -0.02 0.20 1.09 -0.75 4.39 4.90 1zc6A1 THR 23 HB 0.00 -0.06 -0.04 -0.04 4.32 4.18 1zc6A1 THR 23 HG23 -0.00 -0.01 -0.25 -0.04 1.22 0.92 1zc6A1 ARG 24 H -0.02 0.63 0.38 -0.55 8.46 8.90 1zc6A1 ARG 24 HA -0.01 0.34 1.15 -0.75 4.34 5.06 1zc6A1 ARG 24 HB2 -0.01 -0.17 0.14 -0.04 1.90 1.82 1zc6A1 ARG 24 HB3 -0.01 0.10 0.05 -0.04 1.80 1.89 1zc6A1 ARG 24 HG2 -0.01 0.14 -0.13 -0.04 1.67 1.63 1zc6A1 ARG 24 HG3 -0.01 -0.10 -0.24 -0.04 1.67 1.28 1zc6A1 ARG 24 HD2 -0.01 -0.02 -0.08 -0.04 3.22 3.07 1zc6A1 ARG 24 HD3 -0.01 -0.14 -0.04 -0.04 3.22 2.99 1zc6A1 ILE 25 H -0.01 0.86 0.39 -0.55 8.25 8.94 1zc6A1 ILE 25 HA -0.01 0.29 1.27 -0.75 4.18 4.98 1zc6A1 ILE 25 HB -0.01 0.12 0.00 -0.04 1.89 1.96 1zc6A1 ILE 25 HG12 0.01 -0.00 -0.09 -0.04 1.49 1.37 1zc6A1 ILE 25 HG13 0.01 -0.16 -0.59 -0.04 1.21 0.43 1zc6A1 ILE 25 HG23 -0.03 -0.01 -0.30 -0.04 0.93 0.55 1zc6A1 ILE 25 HD13 0.05 -0.03 -0.25 -0.04 0.88 0.60 1zc6A1 ARG 26 H -0.00 0.61 0.37 -0.55 8.46 8.89 1zc6A1 ARG 26 HA -0.06 0.29 1.00 -0.75 4.34 4.82 1zc6A1 ARG 26 HB2 0.05 -0.08 0.08 -0.04 1.90 1.92 1zc6A1 ARG 26 HB3 0.11 0.06 -0.04 -0.04 1.80 1.89 1zc6A1 ARG 26 HG2 0.01 0.11 -0.06 -0.04 1.67 1.69 1zc6A1 ARG 26 HG3 0.00 -0.07 -0.29 -0.04 1.67 1.28 1zc6A1 ARG 26 HD2 0.03 -0.21 -0.34 -0.04 3.22 2.65 1zc6A1 ARG 26 HD3 0.08 0.10 -0.13 -0.04 3.22 3.24 1zc6A1 LEU 27 H -0.17 0.81 0.27 -0.55 8.37 8.74 1zc6A1 LEU 27 HA -0.07 0.20 1.06 -0.75 4.35 4.79 1zc6A1 LEU 27 HB2 -0.27 -0.04 -0.08 -0.04 1.64 1.21 1zc6A1 LEU 27 HB3 -0.27 0.01 0.10 -0.04 1.64 1.45 1zc6A1 LEU 27 HG -0.29 -0.01 -0.33 -0.04 1.64 0.97 1zc6A1 LEU 27 HD13 -0.39 0.02 -0.09 -0.04 0.93 0.43 1zc6A1 LEU 27 HD23 -1.00 0.01 -0.25 -0.04 0.89 -0.39 1zc6A1 HIS 28 H 0.09 0.78 0.40 -0.55 8.41 9.14 1zc6A1 HIS 28 HA 0.02 0.15 1.05 -0.75 4.63 5.10 1zc6A1 HIS 28 HB2 0.02 0.01 0.01 -0.04 3.26 3.26 1zc6A1 HIS 28 HB3 0.03 0.04 -0.03 -0.04 3.20 3.20 1zc6A1 HIS 28 HD2 -0.01 -0.02 -0.30 -0.04 6.97 6.59 1zc6A1 HIS 28 HE1 -0.00 -0.03 -0.03 -0.04 7.75 7.64 1zc6A1 ALA 29 H 0.17 0.47 0.16 -0.55 8.40 8.66 1zc6A1 ALA 29 HA 0.16 0.29 0.84 -0.75 4.34 4.88 1zc6A1 ALA 29 HB3 0.08 -0.01 0.12 -0.04 1.41 1.56 1zc6A1 SER 30 H -0.01 0.58 0.11 -0.55 8.46 8.59 1zc6A1 SER 30 HA 0.04 0.05 0.13 -0.75 4.49 3.96 1zc6A1 SER 30 HB2 -0.00 0.02 -0.00 -0.04 3.95 3.93 1zc6A1 SER 30 HB3 -0.02 0.05 -0.09 -0.04 3.93 3.83 1zc6A1 ASP 31 H 0.03 -0.04 -0.61 -0.55 8.40 7.23 1zc6A1 ASP 31 HA 0.01 0.25 0.82 -0.75 4.63 4.97 1zc6A1 ASP 31 HB2 0.01 0.02 0.13 -0.04 2.71 2.83 1zc6A1 ASP 31 HB3 0.01 0.02 -0.00 -0.04 2.70 2.68 1zc6A1 GLY 32 H 0.05 0.79 -0.14 -0.55 8.43 8.59 1zc6A1 GLY 32 HA2 -0.04 0.03 0.25 -0.51 4.01 3.74 1zc6A1 GLY 32 HA3 -0.01 0.17 0.70 -0.51 4.01 4.37 1zc6A1 THR 33 H 0.07 -0.01 -0.27 -0.55 8.28 7.52 1zc6A1 THR 33 HA 0.09 0.11 0.36 -0.75 4.39 4.19 1zc6A1 THR 33 HB 0.07 -0.12 0.05 -0.04 4.32 4.27 1zc6A1 THR 33 HG23 0.04 0.05 -0.10 -0.04 1.22 1.17 1zc6A1 PRO 34 HA -0.41 0.07 0.65 -0.51 4.44 4.23 1zc6A1 PRO 34 HB2 -0.06 0.01 0.01 -0.04 2.28 2.20 1zc6A1 PRO 34 HB3 0.08 0.01 0.12 -0.04 2.02 2.19 1zc6A1 PRO 34 HG2 0.01 0.04 0.17 -0.04 2.03 2.21 1zc6A1 PRO 34 HG3 0.04 0.01 0.10 -0.04 2.03 2.13 1zc6A1 PRO 34 HD2 0.06 0.03 0.24 -0.04 3.68 3.96 1zc6A1 PRO 34 HD3 0.11 0.17 0.20 -0.04 3.65 4.09 1zc6A1 LEU 35 H -0.32 0.53 0.46 -0.55 8.37 8.49 1zc6A1 LEU 35 HA -0.05 0.18 0.91 -0.75 4.35 4.64 1zc6A1 LEU 35 HB2 -0.17 0.06 -0.10 -0.04 1.64 1.40 1zc6A1 LEU 35 HB3 -0.10 -0.01 -0.05 -0.04 1.64 1.44 1zc6A1 LEU 35 HG 0.02 -0.02 -0.17 -0.04 1.64 1.43 1zc6A1 LEU 35 HD13 0.19 -0.01 -0.26 -0.04 0.93 0.81 1zc6A1 LEU 35 HD23 0.07 0.02 -0.16 -0.04 0.89 0.78 1zc6A1 ALA 36 H -0.23 0.38 0.23 -0.55 8.40 8.24 1zc6A1 ALA 36 HA -0.10 0.11 0.24 -0.75 4.34 3.84 1zc6A1 ALA 36 HB3 -0.12 0.07 -0.05 -0.04 1.41 1.27 1zc6A1 ALA 38 HA -0.02 -0.07 0.32 -0.75 4.34 3.82 1zc6A1 ALA 38 HB3 -0.02 -0.00 -0.01 -0.04 1.41 1.33 1zc6A1 GLU 39 H -0.00 0.18 0.22 -0.55 8.60 8.45 1zc6A1 GLU 39 HA -0.00 0.29 1.21 -0.75 4.29 5.03 1zc6A1 GLU 39 HB2 -0.00 -0.03 0.14 -0.04 2.09 2.15 1zc6A1 GLU 39 HB3 -0.00 0.01 0.14 -0.04 1.99 2.09 1zc6A1 GLU 39 HG2 -0.01 0.01 -0.07 -0.04 2.34 2.23 1zc6A1 GLU 39 HG3 -0.01 -0.01 -0.10 -0.04 2.34 2.18 1zc6A1 GLY 40 H 0.00 0.58 0.36 -0.55 8.43 8.83 1zc6A1 GLY 40 HA2 0.01 0.20 0.90 -0.51 4.01 4.61 1zc6A1 GLY 40 HA3 0.02 0.03 0.39 -0.51 4.01 3.93 1zc6A1 GLY 41 H 0.02 0.15 0.14 -0.55 8.43 8.19 1zc6A1 GLY 41 HA2 0.00 0.14 0.54 -0.51 4.01 4.19 1zc6A1 GLY 41 HA3 0.01 0.06 0.36 -0.51 4.01 3.92 1zc6A1 ALA 42 H -0.01 0.14 0.10 -0.55 8.40 8.09 1zc6A1 ALA 42 HA -0.02 -0.02 0.35 -0.75 4.34 3.90 1zc6A1 ALA 42 HB3 -0.02 0.02 0.11 -0.04 1.41 1.47 1zc6A1 SER 43 H -0.05 0.31 0.23 -0.55 8.46 8.41 1zc6A1 SER 43 HA -0.05 0.25 0.72 -0.75 4.49 4.66 1zc6A1 SER 43 HB2 -0.10 -0.03 0.11 -0.04 3.95 3.89 1zc6A1 SER 43 HB3 -0.03 0.15 -0.16 -0.04 3.93 3.85 1zc6A1 ALA 44 H -0.06 0.18 -0.11 -0.55 8.40 7.86 1zc6A1 ALA 44 HA -0.09 0.03 0.44 -0.75 4.34 3.96 1zc6A1 ALA 44 HB3 -0.04 -0.05 -0.06 -0.04 1.41 1.22 1zc6A1 LEU 45 H -0.12 0.57 0.28 -0.55 8.37 8.56 1zc6A1 LEU 45 HA -0.26 0.16 0.22 -0.75 4.35 3.71 1zc6A1 LEU 45 HB2 0.05 -0.04 0.21 -0.04 1.64 1.82 1zc6A1 LEU 45 HB3 -0.23 -0.07 0.01 -0.04 1.64 1.31 1zc6A1 LEU 45 HG -0.26 0.08 -0.04 -0.04 1.64 1.38 1zc6A1 LEU 45 HD13 -0.04 -0.03 -0.17 -0.04 0.93 0.65 1zc6A1 LEU 45 HD23 -0.42 0.03 -0.06 -0.04 0.89 0.41 1zc6A1 SER 46 H -0.10 0.03 -0.43 -0.55 8.46 7.41 1zc6A1 SER 46 HA -0.99 0.09 0.38 -0.75 4.49 3.22 1zc6A1 SER 46 HB2 0.18 0.09 0.06 -0.04 3.95 4.24 1zc6A1 SER 46 HB3 0.29 -0.08 0.03 -0.04 3.93 4.13 1zc6A1 GLN 47 H -0.20 0.44 -0.47 -0.55 8.47 7.69 1zc6A1 GLN 47 HA -0.12 0.21 0.80 -0.75 4.36 4.50 1zc6A1 GLN 47 HB2 -0.09 0.10 -0.05 -0.04 2.15 2.08 1zc6A1 GLN 47 HB3 -0.07 0.03 0.12 -0.04 2.02 2.06 1zc6A1 GLN 47 HG2 -0.05 0.07 -0.08 -0.04 2.40 2.29 1zc6A1 GLN 47 HG3 -0.06 -0.19 -0.17 -0.04 2.39 1.93 1zc6A1 GLN 47 HE21 -0.03 0.07 0.07 -0.04 6.97 7.04 1zc6A1 GLN 47 HE22 -0.04 -0.16 -0.01 -0.04 7.69 7.44 1zc6A1 GLY 48 H -0.38 0.31 -0.43 -0.55 8.43 7.39 1zc6A1 GLY 48 HA2 -0.23 -0.00 0.34 -0.51 4.01 3.61 1zc6A1 GLY 48 HA3 -0.12 0.21 0.86 -0.51 4.01 4.44 1zc6A1 ILE 49 H -0.17 0.19 0.14 -0.55 8.25 7.86 1zc6A1 ILE 49 HA 0.00 0.09 0.41 -0.75 4.18 3.93 1zc6A1 ILE 49 HB 0.01 -0.01 0.13 -0.04 1.89 1.98 1zc6A1 ILE 49 HG12 0.04 0.05 0.04 -0.04 1.49 1.58 1zc6A1 ILE 49 HG13 0.04 -0.00 0.06 -0.04 1.21 1.27 1zc6A1 ILE 49 HG23 0.21 0.03 -0.25 -0.04 0.93 0.88 1zc6A1 ILE 49 HD13 -0.41 -0.03 0.09 -0.04 0.88 0.49 1zc6A1 ALA 50 H 0.02 0.11 -0.05 -0.55 8.40 7.93 1zc6A1 ALA 50 HA 0.16 0.14 0.38 -0.75 4.34 4.27 1zc6A1 ALA 50 HB3 0.03 0.03 0.04 -0.04 1.41 1.47 1zc6A1 LYS 51 H 0.01 0.05 -0.38 -0.55 8.42 7.54 1zc6A1 LYS 51 HA 0.04 0.05 0.34 -0.75 4.32 4.00 1zc6A1 LYS 51 HB2 -0.03 0.16 -0.10 -0.04 1.87 1.86 1zc6A1 LYS 51 HB3 -0.01 0.01 -0.03 -0.04 1.79 1.72 1zc6A1 LYS 51 HG2 -0.02 -0.17 0.03 -0.04 1.46 1.26 1zc6A1 LYS 51 HG3 -0.03 0.19 0.08 -0.04 1.46 1.65 1zc6A1 LYS 51 HD2 0.01 -0.04 -0.05 -0.04 1.69 1.56 1zc6A1 LYS 51 HD3 -0.01 0.01 -0.01 -0.04 1.68 1.63 1zc6A1 LYS 51 HE2 -0.00 -0.00 0.01 -0.04 2.99 2.95 1zc6A1 LYS 51 HE3 -0.00 0.00 -0.01 -0.04 2.99 2.94 1zc6A1 SER 52 H 0.03 0.38 -0.40 -0.55 8.46 7.93 1zc6A1 SER 52 HA -0.00 0.01 0.38 -0.75 4.49 4.12 1zc6A1 SER 52 HB2 -0.07 0.04 -0.13 -0.04 3.95 3.75 1zc6A1 SER 52 HB3 0.10 0.14 0.15 -0.04 3.93 4.28 1zc6A1 TRP 53 H 0.26 0.56 -0.04 -0.55 7.97 8.20 1zc6A1 TRP 53 HA 0.14 -0.01 0.37 -0.75 4.62 4.36 1zc6A1 TRP 53 HB2 -0.04 0.07 0.15 -0.04 3.23 3.36 1zc6A1 TRP 53 HB3 -0.04 0.01 -0.05 -0.04 3.23 3.11 1zc6A1 TRP 53 HD1 -0.31 -0.08 -0.12 -0.04 7.22 6.66 1zc6A1 TRP 53 HE1 -0.87 0.50 -0.09 -0.04 10.20 9.71 1zc6A1 TRP 53 HE3 0.08 -0.14 0.06 -0.04 7.59 7.55 1zc6A1 TRP 53 HZ2 -0.31 0.08 -0.05 -0.04 7.44 7.12 1zc6A1 TRP 53 HZ3 0.20 -0.02 -0.08 -0.04 7.13 7.19 1zc6A1 TRP 53 HH2 0.06 0.02 -0.07 -0.04 7.19 7.16 1zc6A1 GLN 54 H 0.21 0.56 -0.20 -0.55 8.47 8.49 1zc6A1 GLN 54 HA 0.14 0.01 0.36 -0.75 4.36 4.11 1zc6A1 GLN 54 HB2 0.06 -0.04 0.03 -0.04 2.15 2.17 1zc6A1 GLN 54 HB3 0.08 0.01 0.07 -0.04 2.02 2.13 1zc6A1 GLN 54 HG2 0.08 0.10 0.19 -0.04 2.40 2.72 1zc6A1 GLN 54 HG3 0.06 0.04 -0.05 -0.04 2.39 2.40 1zc6A1 GLN 54 HE21 0.02 -0.02 -0.03 -0.04 6.97 6.89 1zc6A1 GLN 54 HE22 0.03 -0.00 -0.05 -0.04 7.69 7.63 1zc6A1 ALA 55 H 0.10 0.48 -0.32 -0.55 8.40 8.12 1zc6A1 ALA 55 HA 0.05 -0.02 0.42 -0.75 4.34 4.04 1zc6A1 ALA 55 HB3 0.03 0.03 -0.06 -0.04 1.41 1.37 1zc6A1 VAL 56 H 0.14 0.61 -0.10 -0.55 8.24 8.33 1zc6A1 VAL 56 HA 0.09 -0.00 0.31 -0.75 4.13 3.77 1zc6A1 VAL 56 HB 0.31 0.10 0.15 -0.04 2.12 2.64 1zc6A1 VAL 56 HG13 0.19 -0.01 -0.24 -0.04 0.97 0.87 1zc6A1 VAL 56 HG23 -0.03 0.03 -0.07 -0.04 0.95 0.84 1zc6A1 LEU 57 H 0.33 0.86 0.05 -0.55 8.37 9.07 1zc6A1 LEU 57 HA 0.24 0.01 0.35 -0.75 4.35 4.19 1zc6A1 LEU 57 HB2 0.15 0.05 0.06 -0.04 1.64 1.87 1zc6A1 LEU 57 HB3 0.10 -0.03 -0.01 -0.04 1.64 1.66 1zc6A1 LEU 57 HG 0.58 0.11 0.08 -0.04 1.64 2.37 1zc6A1 LEU 57 HD13 -0.13 -0.01 -0.08 -0.04 0.93 0.67 1zc6A1 LEU 57 HD23 0.25 -0.01 -0.04 -0.04 0.89 1.04 1zc6A1 SER 58 H 0.11 0.53 -0.35 -0.55 8.46 8.20 1zc6A1 SER 58 HA 0.06 0.00 0.42 -0.75 4.49 4.22 1zc6A1 SER 58 HB2 0.05 0.01 0.13 -0.04 3.95 4.11 1zc6A1 SER 58 HB3 0.06 0.11 0.19 -0.04 3.93 4.25 1zc6A1 THR 59 H 0.08 0.48 -0.28 -0.55 8.28 8.02 1zc6A1 THR 59 HA 0.04 0.05 0.39 -0.75 4.39 4.11 1zc6A1 THR 59 HB 0.05 0.11 0.02 -0.04 4.32 4.46 1zc6A1 THR 59 HG23 0.01 -0.00 -0.41 -0.04 1.22 0.78 1zc6A1 LEU 60 H 0.11 0.53 -0.22 -0.55 8.37 8.24 1zc6A1 LEU 60 HA 0.06 0.04 0.33 -0.75 4.35 4.03 1zc6A1 LEU 60 HB2 0.19 0.11 0.05 -0.04 1.64 1.95 1zc6A1 LEU 60 HB3 0.21 0.07 -0.02 -0.04 1.64 1.85 1zc6A1 LEU 60 HG 0.17 -0.02 -0.13 -0.04 1.64 1.62 1zc6A1 LEU 60 HD13 0.38 -0.01 -0.14 -0.04 0.93 1.12 1zc6A1 LEU 60 HD23 0.16 -0.01 -0.11 -0.04 0.89 0.89 1zc6A1 GLU 61 H 0.11 0.63 -0.13 -0.55 8.60 8.67 1zc6A1 GLU 61 HA 0.16 -0.01 0.34 -0.75 4.29 4.02 1zc6A1 GLU 61 HB2 0.06 0.05 0.11 -0.04 2.09 2.27 1zc6A1 GLU 61 HB3 0.06 0.12 0.09 -0.04 1.99 2.22 1zc6A1 GLU 61 HG2 0.04 0.00 -0.11 -0.04 2.34 2.23 1zc6A1 GLU 61 HG3 0.03 -0.05 0.05 -0.04 2.34 2.33 1zc6A1 ALA 62 H 0.06 0.35 -0.48 -0.55 8.40 7.78 1zc6A1 ALA 62 HA 0.03 0.00 0.41 -0.75 4.34 4.03 1zc6A1 ALA 62 HB3 0.02 0.05 0.09 -0.04 1.41 1.53 1zc6A1 ALA 63 H 0.01 0.44 -0.23 -0.55 8.40 8.08 1zc6A1 ALA 63 HA -0.06 0.00 0.33 -0.75 4.34 3.86 1zc6A1 ALA 63 HB3 -0.14 0.04 -0.03 -0.04 1.41 1.24 1zc6A1 PHE 64 H 0.08 0.53 -0.18 -0.55 8.34 8.22 1zc6A1 PHE 64 HA -0.10 0.02 0.29 -0.75 4.62 4.07 1zc6A1 PHE 64 HB2 -0.06 0.07 0.05 -0.04 3.15 3.16 1zc6A1 PHE 64 HB3 -0.08 0.08 -0.23 -0.04 3.06 2.79 1zc6A1 PHE 64 HD2 -0.16 0.06 -0.15 -0.04 7.28 6.99 1zc6A1 PHE 64 HE2 -0.95 -0.01 -0.13 -0.04 7.38 6.25 1zc6A1 PHE 64 HZ -0.52 -0.02 -0.14 -0.04 7.32 6.60 1zc6A1 GLN 65 H 0.09 0.39 -0.33 -0.55 8.47 8.08 1zc6A1 GLN 65 HA 0.05 0.08 0.43 -0.75 4.36 4.16 1zc6A1 GLN 65 HB2 0.04 0.12 0.22 -0.04 2.15 2.48 1zc6A1 GLN 65 HB3 0.02 -0.06 0.01 -0.04 2.02 1.95 1zc6A1 GLN 65 HG2 0.03 -0.05 0.04 -0.04 2.40 2.37 1zc6A1 GLN 65 HG3 0.05 0.02 0.03 -0.04 2.39 2.45 1zc6A1 GLN 65 HE21 0.02 -0.07 -0.06 -0.04 6.97 6.82 1zc6A1 GLN 65 HE22 0.02 -0.01 -0.03 -0.04 7.69 7.63 1zc6A1 GLN 66 H -0.00 0.55 -0.07 -0.55 8.47 8.39 1zc6A1 GLN 66 HA -0.00 0.00 0.52 -0.75 4.36 4.13 1zc6A1 GLN 66 HB2 -0.03 0.11 0.16 -0.04 2.15 2.34 1zc6A1 GLN 66 HB3 -0.02 -0.05 0.13 -0.04 2.02 2.03 1zc6A1 GLN 66 HG2 -0.01 -0.06 0.07 -0.04 2.40 2.36 1zc6A1 GLN 66 HG3 -0.00 0.08 0.07 -0.04 2.39 2.50 1zc6A1 GLN 66 HE21 -0.01 -0.09 0.03 -0.04 6.97 6.86 1zc6A1 GLN 66 HE22 -0.00 0.03 -0.07 -0.04 7.69 7.61 1zc6A1 ALA 67 H -0.02 0.31 -0.49 -0.55 8.40 7.66 1zc6A1 ALA 67 HA -0.03 0.21 0.62 -0.75 4.34 4.38 1zc6A1 ALA 67 HB3 -0.07 -0.02 0.01 -0.04 1.41 1.29 1zc6A1 GLY 68 H 0.02 0.35 -0.50 -0.55 8.43 7.75 1zc6A1 GLY 68 HA2 0.03 -0.00 0.29 -0.51 4.01 3.81 1zc6A1 GLY 68 HA3 0.02 -0.00 0.43 -0.51 4.01 3.95 1zc6A1 LEU 69 H 0.08 0.38 -0.21 -0.55 8.37 8.07 1zc6A1 LEU 69 HA 0.08 0.16 0.84 -0.75 4.35 4.68 1zc6A1 LEU 69 HB2 0.24 -0.03 -0.05 -0.04 1.64 1.77 1zc6A1 LEU 69 HB3 0.20 0.03 -0.02 -0.04 1.64 1.81 1zc6A1 LEU 69 HG 0.09 0.20 -0.29 -0.04 1.64 1.61 1zc6A1 LEU 69 HD13 0.18 -0.03 -0.08 -0.04 0.93 0.96 1zc6A1 LEU 69 HD23 0.15 0.00 -0.05 -0.04 0.89 0.95 1zc6A1 PRO 70 HA -0.01 0.04 0.51 -0.51 4.44 4.48 1zc6A1 PRO 70 HB2 -0.02 0.05 -0.01 -0.04 2.28 2.26 1zc6A1 PRO 70 HB3 0.00 -0.01 0.05 -0.04 2.02 2.03 1zc6A1 PRO 70 HG2 0.02 0.05 -0.03 -0.04 2.03 2.03 1zc6A1 PRO 70 HG3 0.03 0.00 0.03 -0.04 2.03 2.05 1zc6A1 PRO 70 HD2 0.10 0.08 0.17 -0.04 3.68 3.99 1zc6A1 PRO 70 HD3 0.05 0.16 0.14 -0.04 3.65 3.96 1zc6A1 ALA 71 H -0.06 0.05 0.09 -0.55 8.40 7.93 1zc6A1 ALA 71 HA -0.25 -0.00 0.32 -0.75 4.34 3.65 1zc6A1 ALA 71 HB3 -0.10 -0.00 0.06 -0.04 1.41 1.32 1zc6A1 ALA 72 H -0.83 0.04 0.11 -0.55 8.40 7.17 1zc6A1 ALA 72 HA -0.23 0.23 0.80 -0.75 4.34 4.39 1zc6A1 ALA 72 HB3 -0.79 0.02 -0.02 -0.04 1.41 0.58 1zc6A1 PRO 73 HA -0.12 0.09 0.59 -0.51 4.44 4.48 1zc6A1 PRO 73 HB2 -0.06 -0.07 0.02 -0.04 2.28 2.13 1zc6A1 PRO 73 HB3 -0.06 0.09 0.06 -0.04 2.02 2.06 1zc6A1 PRO 73 HG2 0.01 -0.13 0.06 -0.04 2.03 1.93 1zc6A1 PRO 73 HG3 -0.01 0.10 0.05 -0.04 2.03 2.13 1zc6A1 PRO 73 HD2 0.02 0.13 0.20 -0.04 3.68 3.98 1zc6A1 PRO 73 HD3 -0.05 0.24 0.16 -0.04 3.65 3.95 1zc6A1 ALA 74 H -0.20 0.15 0.10 -0.55 8.40 7.91 1zc6A1 ALA 74 HA -0.25 0.09 0.26 -0.75 4.34 3.69 1zc6A1 ALA 74 HB3 -0.61 0.01 -0.20 -0.04 1.41 0.57 1zc6A1 SER 75 H -0.08 0.01 -0.22 -0.55 8.46 7.63 1zc6A1 SER 75 HA 0.01 0.20 0.32 -0.75 4.49 4.27 1zc6A1 SER 75 HB2 -0.00 0.02 0.04 -0.04 3.95 3.97 1zc6A1 SER 75 HB3 -0.03 0.04 0.08 -0.04 3.93 3.97 1zc6A1 ALA 76 H 0.05 0.35 -0.56 -0.55 8.40 7.69 1zc6A1 ALA 76 HA 0.06 0.27 0.72 -0.75 4.34 4.63 1zc6A1 ALA 76 HB3 0.08 0.01 0.12 -0.04 1.41 1.58 1zc6A1 CYS 77 H 0.19 0.63 -0.15 -0.55 8.50 8.62 1zc6A1 CYS 77 HA 0.30 0.21 1.21 -0.75 4.58 5.54 1zc6A1 CYS 77 HB2 0.55 0.00 0.07 -0.04 2.97 3.56 1zc6A1 CYS 77 HB3 0.44 -0.00 -0.13 -0.04 2.97 3.23 1zc6A1 ALA 78 H 0.19 0.76 0.36 -0.55 8.40 9.17 1zc6A1 ALA 78 HA 0.12 0.15 0.91 -0.75 4.34 4.76 1zc6A1 ALA 78 HB3 0.08 0.01 0.10 -0.04 1.41 1.56 1zc6A1 ILE 79 H -0.05 0.63 0.32 -0.55 8.25 8.59 1zc6A1 ILE 79 HA -0.03 0.21 1.22 -0.75 4.18 4.83 1zc6A1 ILE 79 HB -0.38 -0.03 -0.18 -0.04 1.89 1.25 1zc6A1 ILE 79 HG12 -0.10 0.01 -0.41 -0.04 1.49 0.94 1zc6A1 ILE 79 HG13 -0.06 0.02 -0.12 -0.04 1.21 1.00 1zc6A1 ILE 79 HG23 -0.72 -0.00 0.02 -0.04 0.93 0.18 1zc6A1 ILE 79 HD13 -0.08 -0.03 -0.18 -0.04 0.88 0.55 1zc6A1 GLY 80 H -0.02 0.78 0.34 -0.55 8.43 8.99 1zc6A1 GLY 80 HA2 -0.01 0.17 1.05 -0.51 4.01 4.72 1zc6A1 GLY 80 HA3 0.00 0.20 0.35 -0.51 4.01 4.05 1zc6A1 LEU 81 H -0.02 0.75 0.38 -0.55 8.37 8.93 1zc6A1 LEU 81 HA -0.05 0.22 1.15 -0.75 4.35 4.92 1zc6A1 LEU 81 HB2 -0.12 -0.06 0.04 -0.04 1.64 1.45 1zc6A1 LEU 81 HB3 -0.15 -0.09 -0.08 -0.04 1.64 1.28 1zc6A1 LEU 81 HG -0.05 0.09 -0.38 -0.04 1.64 1.26 1zc6A1 LEU 81 HD13 0.01 0.01 -0.26 -0.04 0.93 0.65 1zc6A1 LEU 81 HD23 -0.12 -0.02 -0.16 -0.04 0.89 0.56 1zc6A1 GLY 82 H -0.06 0.70 0.21 -0.55 8.43 8.73 1zc6A1 GLY 82 HA2 -0.04 0.36 0.64 -0.51 4.01 4.47 1zc6A1 GLY 82 HA3 -0.03 -0.06 0.26 -0.51 4.01 3.67 1zc6A1 LEU 83 H -0.13 0.64 0.17 -0.55 8.37 8.51 1zc6A1 LEU 83 HA -0.12 0.38 1.12 -0.75 4.35 4.98 1zc6A1 LEU 83 HB2 -0.33 -0.01 -0.08 -0.04 1.64 1.17 1zc6A1 LEU 83 HB3 -0.27 0.03 -0.01 -0.04 1.64 1.35 1zc6A1 LEU 83 HG -0.33 -0.02 -0.30 -0.04 1.64 0.94 1zc6A1 LEU 83 HD13 -1.00 0.04 -0.11 -0.04 0.93 -0.19 1zc6A1 LEU 83 HD23 -0.21 0.00 -0.18 -0.04 0.89 0.47 1zc6A1 SER 84 H -0.07 0.37 0.25 -0.55 8.46 8.46 1zc6A1 SER 84 HA -0.01 -0.04 0.62 -0.75 4.49 4.32 1zc6A1 SER 84 HB2 0.03 0.03 0.11 -0.04 3.95 4.08 1zc6A1 SER 84 HB3 -0.00 0.02 0.22 -0.04 3.93 4.13 1zc6A1 GLY 85 H 0.04 0.14 0.10 -0.55 8.43 8.16 1zc6A1 GLY 85 HA2 0.30 -0.00 0.36 -0.51 4.01 4.15 1zc6A1 GLY 85 HA3 0.14 0.13 0.53 -0.51 4.01 4.30 1zc6A1 VAL 86 H 0.14 0.22 0.12 -0.55 8.24 8.17 1zc6A1 VAL 86 HA 0.01 0.23 0.95 -0.75 4.13 4.57 1zc6A1 VAL 86 HB -0.07 0.12 0.18 -0.04 2.12 2.31 1zc6A1 VAL 86 HG13 -0.07 0.04 0.16 -0.04 0.97 1.06 1zc6A1 VAL 86 HG23 -0.01 -0.01 0.04 -0.04 0.95 0.93 1zc6A1 HIS 87 H 0.23 0.06 -0.28 -0.55 8.41 7.87 1zc6A1 HIS 87 HA -0.20 0.32 0.64 -0.75 4.63 4.63 1zc6A1 HIS 87 HB2 -0.02 -0.16 0.12 -0.04 3.26 3.17 1zc6A1 HIS 87 HB3 -0.24 -0.03 0.28 -0.04 3.20 3.17 1zc6A1 HIS 87 HD2 -0.89 0.06 0.04 -0.04 6.97 6.14 1zc6A1 HIS 87 HE1 -0.97 0.03 -0.02 -0.04 7.75 6.74 1zc6A1 ASN 88 H 0.02 0.07 -0.77 -0.55 8.53 7.30 1zc6A1 ASN 88 HA 0.06 -0.14 0.30 -0.75 4.76 4.22 1zc6A1 ASN 88 HB2 -0.01 0.13 -0.07 -0.04 2.88 2.89 1zc6A1 ASN 88 HB3 -0.01 0.06 0.05 -0.04 2.79 2.85 1zc6A1 ASN 88 HD21 -0.05 -0.01 0.10 -0.04 7.03 7.03 1zc6A1 ASN 88 HD22 -0.04 0.02 0.07 -0.04 7.74 7.75 1zc6A1 ARG 89 H 0.07 0.06 0.04 -0.55 8.46 8.07 1zc6A1 ARG 89 HA 0.06 0.07 0.34 -0.75 4.34 4.06 1zc6A1 ARG 89 HB2 0.02 0.29 0.36 -0.04 1.90 2.53 1zc6A1 ARG 89 HB3 0.03 0.02 0.19 -0.04 1.80 2.00 1zc6A1 ARG 89 HG2 0.01 0.01 -0.42 -0.04 1.67 1.22 1zc6A1 ARG 89 HG3 0.01 0.05 -0.04 -0.04 1.67 1.65 1zc6A1 ARG 89 HD2 0.03 -0.19 -0.06 -0.04 3.22 2.96 1zc6A1 ARG 89 HD3 0.01 0.07 -0.06 -0.04 3.22 3.21 1zc6A1 GLN 90 H 0.12 0.14 -0.41 -0.55 8.47 7.77 1zc6A1 GLN 90 HA 0.12 0.29 0.89 -0.75 4.36 4.91 1zc6A1 GLN 90 HB2 0.05 0.14 0.00 -0.04 2.15 2.30 1zc6A1 GLN 90 HB3 0.12 -0.19 0.29 -0.04 2.02 2.20 1zc6A1 GLN 90 HG2 0.22 -0.07 -0.10 -0.04 2.40 2.40 1zc6A1 GLN 90 HG3 0.12 0.07 0.03 -0.04 2.39 2.57 1zc6A1 GLN 90 HE21 0.02 0.02 0.01 -0.04 6.97 6.99 1zc6A1 GLN 90 HE22 0.11 0.00 -0.00 -0.04 7.69 7.76 1zc6A1 TRP 91 H 0.30 0.23 0.10 -0.55 7.97 8.05 1zc6A1 TRP 91 HA 0.00 0.19 0.49 -0.75 4.62 4.55 1zc6A1 TRP 91 HB2 -0.06 -0.20 0.08 -0.04 3.23 3.02 1zc6A1 TRP 91 HB3 -0.11 0.04 -0.08 -0.04 3.23 3.04 1zc6A1 TRP 91 HD1 -0.05 0.03 -0.06 -0.04 7.22 7.09 1zc6A1 TRP 91 HE1 -0.10 0.08 -0.00 -0.04 10.20 10.14 1zc6A1 TRP 91 HE3 -0.28 -0.16 -0.09 -0.04 7.59 7.02 1zc6A1 TRP 91 HZ2 -0.09 0.09 0.01 -0.04 7.44 7.41 1zc6A1 TRP 91 HZ3 -0.10 -0.11 -0.09 -0.04 7.13 6.79 1zc6A1 TRP 91 HH2 -0.05 0.05 0.03 -0.04 7.19 7.18 1zc6A1 ALA 92 H 0.24 0.01 -0.32 -0.55 8.40 7.78 1zc6A1 ALA 92 HA 0.14 0.17 0.40 -0.75 4.34 4.30 1zc6A1 ALA 92 HB3 0.08 -0.01 -0.01 -0.04 1.41 1.43 1zc6A1 GLY 93 H 0.16 -0.08 -0.63 -0.55 8.43 7.33 1zc6A1 GLY 93 HA2 0.11 0.13 0.34 -0.51 4.01 4.08 1zc6A1 GLY 93 HA3 0.11 0.24 -0.06 -0.51 4.01 3.79 1zc6A1 GLU 94 H 0.18 0.34 -0.50 -0.55 8.60 8.08 1zc6A1 GLU 94 HA 0.12 0.10 0.43 -0.75 4.29 4.18 1zc6A1 GLU 94 HB2 0.16 0.07 0.20 -0.04 2.09 2.48 1zc6A1 GLU 94 HB3 0.11 -0.07 -0.02 -0.04 1.99 1.98 1zc6A1 GLU 94 HG2 0.10 0.00 0.02 -0.04 2.34 2.42 1zc6A1 GLU 94 HG3 0.14 0.16 0.05 -0.04 2.34 2.65 1zc6A1 PHE 95 H 0.28 0.42 -0.13 -0.55 8.34 8.36 1zc6A1 PHE 95 HA 0.19 -0.01 0.28 -0.75 4.62 4.32 1zc6A1 PHE 95 HB2 -0.04 -0.02 0.11 -0.04 3.15 3.16 1zc6A1 PHE 95 HB3 0.01 0.08 0.06 -0.04 3.06 3.17 1zc6A1 PHE 95 HD2 -0.21 -0.01 -0.12 -0.04 7.28 6.90 1zc6A1 PHE 95 HE2 -0.80 -0.01 -0.14 -0.04 7.38 6.39 1zc6A1 PHE 95 HZ -1.63 0.01 -0.14 -0.04 7.32 5.52 1zc6A1 GLU 96 H 0.27 0.38 -0.41 -0.55 8.60 8.28 1zc6A1 GLU 96 HA 0.27 0.04 0.39 -0.75 4.29 4.24 1zc6A1 GLU 96 HB2 0.15 0.10 0.09 -0.04 2.09 2.38 1zc6A1 GLU 96 HB3 0.14 0.03 -0.02 -0.04 1.99 2.11 1zc6A1 GLU 96 HG2 0.21 -0.02 -0.03 -0.04 2.34 2.46 1zc6A1 GLU 96 HG3 0.21 0.09 0.03 -0.04 2.34 2.63 1zc6A1 SER 97 H 0.13 0.29 -0.24 -0.55 8.46 8.10 1zc6A1 SER 97 HA 0.06 0.05 0.44 -0.75 4.49 4.28 1zc6A1 SER 97 HB2 0.08 0.04 0.21 -0.04 3.95 4.23 1zc6A1 SER 97 HB3 0.04 -0.05 0.02 -0.04 3.93 3.90 1zc6A1 GLN 98 H 0.10 0.54 -0.12 -0.55 8.47 8.44 1zc6A1 GLN 98 HA -0.07 0.07 0.46 -0.75 4.36 4.06 1zc6A1 GLN 98 HB2 0.16 0.03 -0.01 -0.04 2.15 2.29 1zc6A1 GLN 98 HB3 -0.06 -0.07 0.07 -0.04 2.02 1.92 1zc6A1 GLN 98 HG2 0.00 0.02 -0.02 -0.04 2.40 2.36 1zc6A1 GLN 98 HG3 0.06 0.03 -0.03 -0.04 2.39 2.40 1zc6A1 GLN 98 HE21 0.05 -0.17 -0.04 -0.04 6.97 6.78 1zc6A1 GLN 98 HE22 0.06 0.06 -0.05 -0.04 7.69 7.71 1zc6A1 ALA 99 H 0.02 0.25 -0.88 -0.55 8.40 7.25 1zc6A1 ALA 99 HA -1.04 -0.03 0.45 -0.75 4.34 2.98 1zc6A1 ALA 99 HB3 0.28 0.04 0.10 -0.04 1.41 1.78 1zc6A1 PRO 100 HA -0.33 0.07 0.43 -0.51 4.44 4.10 1zc6A1 PRO 100 HB2 -0.93 -0.02 -0.05 -0.04 2.28 1.23 1zc6A1 PRO 100 HB3 -0.49 -0.03 0.08 -0.04 2.02 1.54 1zc6A1 PRO 100 HG2 -0.54 -0.00 0.03 -0.04 2.03 1.47 1zc6A1 PRO 100 HG3 -0.58 0.07 0.05 -0.04 2.03 1.52 1zc6A1 PRO 100 HD2 -0.88 0.04 0.16 -0.04 3.68 2.97 1zc6A1 PRO 100 HD3 -1.86 0.19 0.20 -0.04 3.65 2.15 1zc6A1 GLY 101 H -0.25 0.06 0.07 -0.55 8.43 7.76 1zc6A1 GLY 101 HA2 -0.05 0.21 0.40 -0.51 4.01 4.07 1zc6A1 GLY 101 HA3 -0.11 -0.04 0.36 -0.51 4.01 3.71 1zc6A1 PHE 102 H 0.14 0.47 -0.15 -0.55 8.34 8.24 1zc6A1 PHE 102 HA 0.03 0.15 0.22 -0.75 4.62 4.26 1zc6A1 PHE 102 HB2 0.07 -0.03 -0.12 -0.04 3.15 3.03 1zc6A1 PHE 102 HB3 0.08 0.14 0.05 -0.04 3.06 3.29 1zc6A1 PHE 102 HD2 0.08 0.15 -0.07 -0.04 7.28 7.40 1zc6A1 PHE 102 HE2 0.01 -0.01 -0.09 -0.04 7.38 7.25 1zc6A1 PHE 102 HZ 0.17 -0.04 -0.10 -0.04 7.32 7.31 1zc6A1 ALA 103 H 0.22 0.51 0.27 -0.55 8.40 8.85 1zc6A1 ALA 103 HA 0.08 0.01 0.43 -0.75 4.34 4.11 1zc6A1 ALA 103 HB3 0.10 0.06 -0.01 -0.04 1.41 1.51 1zc6A1 ARG 104 H 0.19 0.26 -0.06 -0.55 8.46 8.29 1zc6A1 ARG 104 HA 0.10 0.08 0.38 -0.75 4.34 4.14 1zc6A1 ARG 104 HB2 0.06 0.02 0.01 -0.04 1.90 1.94 1zc6A1 ARG 104 HB3 0.06 0.16 0.05 -0.04 1.80 2.03 1zc6A1 ARG 104 HG2 0.08 -0.07 -0.18 -0.04 1.67 1.45 1zc6A1 ARG 104 HG3 0.06 -0.10 -0.02 -0.04 1.67 1.58 1zc6A1 ARG 104 HD2 0.04 0.00 -0.07 -0.04 3.22 3.16 1zc6A1 ARG 104 HD3 0.05 0.02 -0.06 -0.04 3.22 3.18 1zc6A1 LEU 105 H 0.08 0.25 0.15 -0.55 8.37 8.31 1zc6A1 LEU 105 HA -0.00 0.36 1.02 -0.75 4.35 4.97 1zc6A1 LEU 105 HB2 0.12 -0.00 -0.12 -0.04 1.64 1.60 1zc6A1 LEU 105 HB3 0.13 -0.00 0.06 -0.04 1.64 1.80 1zc6A1 LEU 105 HG 0.06 0.04 -0.04 -0.04 1.64 1.66 1zc6A1 LEU 105 HD13 0.36 0.00 -0.06 -0.04 0.93 1.18 1zc6A1 LEU 105 HD23 0.17 -0.02 -0.33 -0.04 0.89 0.66 1zc6A1 SER 106 H 0.01 0.58 0.32 -0.55 8.46 8.83 1zc6A1 SER 106 HA 0.03 0.11 0.89 -0.75 4.49 4.78 1zc6A1 SER 106 HB2 0.03 0.06 -0.16 -0.04 3.95 3.83 1zc6A1 SER 106 HB3 0.02 -0.05 0.06 -0.04 3.93 3.92 1zc6A1 LEU 107 H 0.03 0.19 0.16 -0.55 8.37 8.19 1zc6A1 LEU 107 HA -0.02 0.21 1.01 -0.75 4.35 4.79 1zc6A1 LEU 107 HB2 0.08 0.03 0.03 -0.04 1.64 1.73 1zc6A1 LEU 107 HB3 0.01 -0.06 -0.04 -0.04 1.64 1.52 1zc6A1 LEU 107 HG 0.09 0.05 -0.07 -0.04 1.64 1.66 1zc6A1 LEU 107 HD13 0.00 -0.02 -0.04 -0.04 0.93 0.84 1zc6A1 LEU 107 HD23 -0.23 0.02 0.06 -0.04 0.89 0.71 1zc6A1 ALA 108 H -0.07 0.43 0.38 -0.55 8.40 8.60 1zc6A1 ALA 108 HA -0.09 0.02 0.52 -0.75 4.34 4.05 1zc6A1 ALA 108 HB3 -0.02 0.05 -0.00 -0.04 1.41 1.39 1zc6A1 THR 109 H -0.05 0.14 0.20 -0.55 8.28 8.03 1zc6A1 THR 109 HA -0.04 0.44 0.61 -0.75 4.39 4.65 1zc6A1 THR 109 HB 0.00 -0.16 0.14 -0.04 4.32 4.26 1zc6A1 THR 109 HG23 -0.03 0.04 0.05 -0.04 1.22 1.24 1zc6A1 ASP 110 H -0.02 0.18 -0.18 -0.55 8.40 7.83 1zc6A1 ASP 110 HA -0.01 0.17 0.37 -0.75 4.63 4.40 1zc6A1 ASP 110 HB2 -0.02 -0.00 -0.01 -0.04 2.71 2.64 1zc6A1 ASP 110 HB3 -0.04 0.29 -0.14 -0.04 2.70 2.77 1zc6A1 GLY 111 H 0.02 0.01 -0.33 -0.55 8.43 7.58 1zc6A1 GLY 111 HA2 0.02 0.12 0.34 -0.51 4.01 3.98 1zc6A1 GLY 111 HA3 0.04 0.09 0.16 -0.51 4.01 3.79 1zc6A1 TYR 112 H 0.15 0.03 -0.26 -0.55 8.29 7.66 1zc6A1 TYR 112 HA 0.04 0.16 0.39 -0.75 4.56 4.40 1zc6A1 TYR 112 HB2 -0.06 -0.07 0.08 -0.04 3.06 2.97 1zc6A1 TYR 112 HB3 -0.05 0.07 0.05 -0.04 2.98 3.00 1zc6A1 TYR 112 HD2 -0.02 -0.02 -0.11 -0.04 7.15 6.95 1zc6A1 TYR 112 HE2 0.01 0.10 -0.05 -0.04 6.85 6.87 1zc6A1 THR 113 H 0.07 0.31 -0.26 -0.55 8.28 7.84 1zc6A1 THR 113 HA -0.07 0.18 0.28 -0.75 4.39 4.02 1zc6A1 THR 113 HB -0.02 0.16 -0.08 -0.04 4.32 4.34 1zc6A1 THR 113 HG23 0.04 0.05 -0.22 -0.04 1.22 1.04 1zc6A1 THR 114 H -0.02 0.30 -0.49 -0.55 8.28 7.52 1zc6A1 THR 114 HA -0.05 -0.04 0.28 -0.75 4.39 3.82 1zc6A1 THR 114 HB -0.02 0.15 0.06 -0.04 4.32 4.47 1zc6A1 THR 114 HG23 -0.04 -0.02 -0.11 -0.04 1.22 1.01 1zc6A1 LEU 115 H -0.09 0.24 -0.53 -0.55 8.37 7.45 1zc6A1 LEU 115 HA -0.06 0.03 0.22 -0.75 4.35 3.78 1zc6A1 LEU 115 HB2 -0.07 0.00 0.10 -0.04 1.64 1.63 1zc6A1 LEU 115 HB3 -0.31 0.14 0.04 -0.04 1.64 1.46 1zc6A1 LEU 115 HG -0.00 -0.06 -0.22 -0.04 1.64 1.31 1zc6A1 LEU 115 HD13 0.01 -0.03 -0.27 -0.04 0.93 0.60 1zc6A1 LEU 115 HD23 0.02 0.06 -0.29 -0.04 0.89 0.64 1zc6A1 LEU 116 H -0.28 0.53 -0.08 -0.55 8.37 7.99 1zc6A1 LEU 116 HA -0.14 0.05 0.27 -0.75 4.35 3.78 1zc6A1 LEU 116 HB2 -0.14 -0.04 0.06 -0.04 1.64 1.48 1zc6A1 LEU 116 HB3 -0.11 0.03 -0.07 -0.04 1.64 1.44 1zc6A1 LEU 116 HG -0.71 0.12 -0.02 -0.04 1.64 0.99 1zc6A1 LEU 116 HD13 -0.01 -0.00 -0.16 -0.04 0.93 0.71 1zc6A1 LEU 116 HD23 -0.24 0.01 -0.09 -0.04 0.89 0.54 1zc6A1 GLY 117 H -0.10 0.51 -0.36 -0.55 8.43 7.94 1zc6A1 GLY 117 HA2 -0.06 0.01 0.18 -0.51 4.01 3.63 1zc6A1 GLY 117 HA3 -0.07 0.16 0.02 -0.51 4.01 3.61 1zc6A1 ALA 118 H -0.14 0.48 -0.29 -0.55 8.40 7.91 1zc6A1 ALA 118 HA -0.20 -0.11 0.43 -0.75 4.34 3.71 1zc6A1 ALA 118 HB3 -0.37 0.03 0.02 -0.04 1.41 1.05 1zc6A1 HIS 119 H -0.13 0.40 -0.29 -0.55 8.41 7.84 1zc6A1 HIS 119 HA -0.04 0.19 0.84 -0.75 4.63 4.87 1zc6A1 HIS 119 HB2 -0.06 0.10 -0.13 -0.04 3.26 3.13 1zc6A1 HIS 119 HB3 -0.04 0.03 -0.01 -0.04 3.20 3.13 1zc6A1 HIS 119 HD2 -0.07 0.01 -0.34 -0.04 6.97 6.52 1zc6A1 HIS 119 HE1 -0.04 -0.05 -0.46 -0.04 7.75 7.16 1zc6A1 GLY 120 H -0.05 0.21 -0.39 -0.55 8.43 7.66 1zc6A1 GLY 120 HA2 -0.03 -0.00 0.28 -0.51 4.01 3.75 1zc6A1 GLY 120 HA3 -0.01 -0.02 0.31 -0.51 4.01 3.77 1zc6A1 GLY 121 H -0.02 0.25 -0.17 -0.55 8.43 7.94 1zc6A1 GLY 121 HA2 -0.04 -0.09 0.24 -0.51 4.01 3.61 1zc6A1 GLY 121 HA3 -0.01 0.08 0.47 -0.51 4.01 4.04 1zc6A1 GLN 122 H 0.02 0.53 -0.43 -0.55 8.47 8.04 1zc6A1 GLN 122 HA -0.00 0.07 0.58 -0.75 4.36 4.25 1zc6A1 GLN 122 HB2 0.02 0.10 0.07 -0.04 2.15 2.30 1zc6A1 GLN 122 HB3 -0.02 -0.01 0.12 -0.04 2.02 2.07 1zc6A1 GLN 122 HG2 0.01 0.11 -0.05 -0.04 2.40 2.42 1zc6A1 GLN 122 HG3 0.00 -0.07 0.02 -0.04 2.39 2.30 1zc6A1 GLN 122 HE21 0.00 -0.07 -0.04 -0.04 6.97 6.82 1zc6A1 GLN 122 HE22 0.00 0.08 -0.14 -0.04 7.69 7.59 1zc6A1 PRO 123 HA -0.08 0.10 0.39 -0.51 4.44 4.33 1zc6A1 PRO 123 HB2 -0.06 -0.02 0.03 -0.04 2.28 2.19 1zc6A1 PRO 123 HB3 -0.04 -0.07 -0.04 -0.04 2.02 1.82 1zc6A1 PRO 123 HG2 -0.00 -0.04 0.04 -0.04 2.03 1.99 1zc6A1 PRO 123 HG3 0.00 0.08 -0.14 -0.04 2.03 1.93 1zc6A1 PRO 123 HD2 -0.03 0.07 0.19 -0.04 3.68 3.87 1zc6A1 PRO 123 HD3 -0.01 0.12 0.19 -0.04 3.65 3.91 1zc6A1 GLY 124 H -0.22 0.45 0.42 -0.55 8.43 8.53 1zc6A1 GLY 124 HA2 -0.32 -0.01 0.36 -0.51 4.01 3.54 1zc6A1 GLY 124 HA3 -0.79 0.13 0.50 -0.51 4.01 3.34 1zc6A1 ILE 125 H -0.15 0.77 0.33 -0.55 8.25 8.64 1zc6A1 ILE 125 HA -0.04 0.22 1.23 -0.75 4.18 4.84 1zc6A1 ILE 125 HB -0.01 0.02 0.11 -0.04 1.89 1.97 1zc6A1 ILE 125 HG12 0.03 0.20 -0.01 -0.04 1.49 1.66 1zc6A1 ILE 125 HG13 0.10 -0.10 -0.27 -0.04 1.21 0.90 1zc6A1 ILE 125 HG23 -0.14 -0.02 -0.24 -0.04 0.93 0.48 1zc6A1 ILE 125 HD13 0.09 -0.03 -0.11 -0.04 0.88 0.79 1zc6A1 ILE 126 H 0.04 0.58 0.44 -0.55 8.25 8.77 1zc6A1 ILE 126 HA 0.09 0.30 1.00 -0.75 4.18 4.81 1zc6A1 ILE 126 HB 0.00 -0.08 -0.04 -0.04 1.89 1.73 1zc6A1 ILE 126 HG12 0.01 0.05 -0.11 -0.04 1.49 1.40 1zc6A1 ILE 126 HG13 0.02 -0.15 0.06 -0.04 1.21 1.09 1zc6A1 ILE 126 HG23 -0.03 0.03 -0.23 -0.04 0.93 0.66 1zc6A1 ILE 126 HD13 -0.00 -0.02 -0.25 -0.04 0.88 0.57 1zc6A1 VAL 127 H 0.06 0.58 0.35 -0.55 8.24 8.68 1zc6A1 VAL 127 HA 0.05 0.16 0.94 -0.75 4.13 4.53 1zc6A1 VAL 127 HB 0.16 0.01 0.17 -0.04 2.12 2.42 1zc6A1 VAL 127 HG13 0.08 -0.03 -0.11 -0.04 0.97 0.87 1zc6A1 VAL 127 HG23 0.16 0.02 -0.17 -0.04 0.95 0.93 1zc6A1 ALA 128 H 0.03 0.62 0.29 -0.55 8.40 8.79 1zc6A1 ALA 128 HA 0.02 0.27 1.07 -0.75 4.34 4.95 1zc6A1 ALA 128 HB3 0.01 -0.03 -0.04 -0.04 1.41 1.31 1zc6A1 LEU 129 H 0.02 0.70 0.33 -0.55 8.37 8.87 1zc6A1 LEU 129 HA 0.03 0.17 1.04 -0.75 4.35 4.84 1zc6A1 LEU 129 HB2 0.03 0.00 0.14 -0.04 1.64 1.78 1zc6A1 LEU 129 HB3 0.03 -0.03 -0.01 -0.04 1.64 1.59 1zc6A1 LEU 129 HG 0.01 0.43 -0.01 -0.04 1.64 2.04 1zc6A1 LEU 129 HD13 0.03 -0.01 -0.33 -0.04 0.93 0.58 1zc6A1 LEU 129 HD23 0.04 0.00 -0.10 -0.04 0.89 0.79 1zc6A1 GLY 130 H 0.04 0.80 0.25 -0.55 8.43 8.97 1zc6A1 GLY 130 HA2 0.03 0.09 0.73 -0.51 4.01 4.35 1zc6A1 GLY 130 HA3 0.02 -0.08 0.43 -0.51 4.01 3.88 1zc6A1 THR 131 H 0.03 0.14 0.21 -0.55 8.28 8.11 1zc6A1 THR 131 HA 0.06 0.08 0.56 -0.75 4.39 4.34 1zc6A1 THR 131 HB 0.02 -0.07 0.15 -0.04 4.32 4.38 1zc6A1 THR 131 HG23 0.02 0.03 -0.17 -0.04 1.22 1.06 1zc6A1 GLY 132 H 0.04 0.02 -0.10 -0.55 8.43 7.85 1zc6A1 GLY 132 HA2 0.10 0.22 0.84 -0.51 4.01 4.66 1zc6A1 GLY 132 HA3 0.07 0.00 0.33 -0.51 4.01 3.90 1zc6A1 SER 133 H 0.06 0.16 0.26 -0.55 8.46 8.39 1zc6A1 SER 133 HA 0.03 0.46 0.88 -0.75 4.49 5.10 1zc6A1 SER 133 HB2 0.01 0.11 0.01 -0.04 3.95 4.04 1zc6A1 SER 133 HB3 0.02 0.04 -0.32 -0.04 3.93 3.63 1zc6A1 ILE 134 H 0.02 0.52 0.33 -0.55 8.25 8.57 1zc6A1 ILE 134 HA -0.01 0.00 0.50 -0.75 4.18 3.92 1zc6A1 ILE 134 HB -0.03 -0.00 0.02 -0.04 1.89 1.84 1zc6A1 ILE 134 HG12 -0.02 0.15 -0.13 -0.04 1.49 1.44 1zc6A1 ILE 134 HG13 -0.08 0.19 -0.05 -0.04 1.21 1.22 1zc6A1 ILE 134 HG23 0.00 -0.04 -0.20 -0.04 0.93 0.66 1zc6A1 ILE 134 HD13 -0.06 -0.03 -0.01 -0.04 0.88 0.74 1zc6A1 GLY 135 H -0.02 0.71 0.36 -0.55 8.43 8.93 1zc6A1 GLY 135 HA2 0.02 0.26 1.13 -0.51 4.01 4.91 1zc6A1 GLY 135 HA3 0.02 0.05 0.38 -0.51 4.01 3.95 1zc6A1 GLU 136 H 0.01 0.55 0.36 -0.55 8.60 8.97 1zc6A1 GLU 136 HA -0.06 0.26 1.11 -0.75 4.29 4.84 1zc6A1 GLU 136 HB2 0.04 0.00 -0.03 -0.04 2.09 2.06 1zc6A1 GLU 136 HB3 0.14 0.07 0.04 -0.04 1.99 2.20 1zc6A1 GLU 136 HG2 0.03 0.04 -0.71 -0.04 2.34 1.67 1zc6A1 GLU 136 HG3 0.06 -0.05 -0.30 -0.04 2.34 2.01 1zc6A1 ALA 137 H -0.19 0.60 0.42 -0.55 8.40 8.68 1zc6A1 ALA 137 HA -0.17 0.33 1.04 -0.75 4.34 4.78 1zc6A1 ALA 137 HB3 -0.36 -0.01 -0.10 -0.04 1.41 0.90 1zc6A1 LEU 138 H -0.30 0.68 0.32 -0.55 8.37 8.54 1zc6A1 LEU 138 HA 0.01 0.30 0.95 -0.75 4.35 4.86 1zc6A1 LEU 138 HB2 0.02 -0.09 -0.07 -0.04 1.64 1.47 1zc6A1 LEU 138 HB3 -0.08 0.03 0.13 -0.04 1.64 1.69 1zc6A1 LEU 138 HG 0.01 0.01 -0.27 -0.04 1.64 1.34 1zc6A1 LEU 138 HD13 0.15 0.04 -0.05 -0.04 0.93 1.04 1zc6A1 LEU 138 HD23 -0.01 0.05 -0.27 -0.04 0.89 0.62 1zc6A1 TYR 139 H 0.20 0.46 0.07 -0.55 8.29 8.47 1zc6A1 TYR 139 HA -0.01 0.24 0.87 -0.75 4.56 4.92 1zc6A1 TYR 139 HB2 0.01 -0.14 0.00 -0.04 3.06 2.89 1zc6A1 TYR 139 HB3 0.00 0.03 0.11 -0.04 2.98 3.07 1zc6A1 TYR 139 HD2 0.00 0.02 -0.21 -0.04 7.15 6.92 1zc6A1 TYR 139 HE2 -0.03 0.07 -0.13 -0.04 6.85 6.71 1zc6A1 PRO 140 HA 0.04 0.17 0.47 -0.51 4.44 4.61 1zc6A1 PRO 140 HB2 0.05 -0.02 0.06 -0.04 2.28 2.33 1zc6A1 PRO 140 HB3 0.03 0.07 0.12 -0.04 2.02 2.20 1zc6A1 PRO 140 HG2 0.05 0.05 0.08 -0.04 2.03 2.17 1zc6A1 PRO 140 HG3 0.03 0.12 0.10 -0.04 2.03 2.23 1zc6A1 PRO 140 HD2 0.16 0.06 0.19 -0.04 3.68 4.05 1zc6A1 PRO 140 HD3 0.10 0.18 0.23 -0.04 3.65 4.12 1zc6A1 ASP 141 H 0.10 0.05 -0.32 -0.55 8.40 7.69 1zc6A1 ASP 141 HA 0.04 0.17 0.55 -0.75 4.63 4.64 1zc6A1 ASP 141 HB2 0.03 0.04 0.16 -0.04 2.71 2.89 1zc6A1 ASP 141 HB3 0.03 0.01 0.07 -0.04 2.70 2.76 1zc6A1 GLY 142 H 0.09 0.48 -0.59 -0.55 8.43 7.86 1zc6A1 GLY 142 HA2 0.08 0.10 0.30 -0.51 4.01 3.98 1zc6A1 GLY 142 HA3 0.07 0.07 0.47 -0.51 4.01 4.11 1zc6A1 SER 143 H 0.13 -0.12 -0.61 -0.55 8.46 7.31 1zc6A1 SER 143 HA 0.12 0.10 0.41 -0.75 4.49 4.37 1zc6A1 SER 143 HB2 0.05 0.04 0.03 -0.04 3.95 4.03 1zc6A1 SER 143 HB3 0.12 -0.11 -0.02 -0.04 3.93 3.88 1zc6A1 HIS 144 H 0.20 0.20 0.25 -0.55 8.41 8.51 1zc6A1 HIS 144 HA 0.18 0.38 1.03 -0.75 4.63 5.47 1zc6A1 HIS 144 HB2 0.16 0.11 0.02 -0.04 3.26 3.51 1zc6A1 HIS 144 HB3 0.06 -0.07 0.12 -0.04 3.20 3.26 1zc6A1 HIS 144 HD2 0.35 0.07 0.03 -0.04 6.97 7.38 1zc6A1 HIS 144 HE1 -0.01 -0.09 -0.11 -0.04 7.75 7.50 1zc6A1 ARG 145 H -0.46 0.57 0.40 -0.55 8.46 8.42 1zc6A1 ARG 145 HA -0.11 0.10 0.71 -0.75 4.34 4.28 1zc6A1 ARG 145 HB2 0.27 0.00 -0.06 -0.04 1.90 2.07 1zc6A1 ARG 145 HB3 0.04 0.04 0.06 -0.04 1.80 1.89 1zc6A1 ARG 145 HG2 0.04 0.28 -0.00 -0.04 1.67 1.94 1zc6A1 ARG 145 HG3 0.03 -0.04 -0.21 -0.04 1.67 1.41 1zc6A1 ARG 145 HD2 0.00 -0.02 0.09 -0.04 3.22 3.25 1zc6A1 ARG 145 HD3 -0.05 -0.02 0.01 -0.04 3.22 3.11 1zc6A1 GLU 146 H -0.07 0.29 0.26 -0.55 8.60 8.54 1zc6A1 GLU 146 HA -0.08 0.18 0.79 -0.75 4.29 4.43 1zc6A1 GLU 146 HB2 -0.08 0.09 0.23 -0.04 2.09 2.29 1zc6A1 GLU 146 HB3 -0.06 -0.05 0.03 -0.04 1.99 1.87 1zc6A1 GLU 146 HG2 -0.05 -0.06 0.01 -0.04 2.34 2.20 1zc6A1 GLU 146 HG3 -0.16 0.05 -0.09 -0.04 2.34 2.09 1zc6A1 ALA 147 H -0.04 0.52 0.35 -0.55 8.40 8.69 1zc6A1 ALA 147 HA 0.06 0.14 0.75 -0.75 4.34 4.53 1zc6A1 ALA 147 HB3 0.04 0.02 -0.02 -0.04 1.41 1.41 1zc6A1 GLY 148 H 0.25 0.15 0.15 -0.55 8.43 8.44 1zc6A1 GLY 148 HA2 0.27 0.01 0.36 -0.51 4.01 4.14 1zc6A1 GLY 148 HA3 0.06 0.06 0.51 -0.51 4.01 4.13 1zc6A1 GLY 149 H 0.04 0.07 0.24 -0.55 8.43 8.23 1zc6A1 GLY 149 HA2 -0.02 0.09 0.60 -0.51 4.01 4.17 1zc6A1 GLY 149 HA3 -0.14 0.10 0.57 -0.51 4.01 4.02 1zc6A1 TRP 150 H 0.23 -0.10 0.04 -0.55 7.97 7.59 1zc6A1 TRP 150 HA 0.01 0.26 0.76 -0.75 4.62 4.89 1zc6A1 TRP 150 HB2 0.01 -0.10 0.03 -0.04 3.23 3.14 1zc6A1 TRP 150 HB3 0.00 0.08 0.08 -0.04 3.23 3.36 1zc6A1 TRP 150 HD1 -0.00 -0.19 -0.08 -0.04 7.22 6.90 1zc6A1 TRP 150 HE1 -0.01 -0.07 0.02 -0.04 10.20 10.10 1zc6A1 TRP 150 HE3 -0.02 -0.02 0.05 -0.04 7.59 7.56 1zc6A1 TRP 150 HZ2 -0.01 0.03 0.01 -0.04 7.44 7.43 1zc6A1 TRP 150 HZ3 -0.03 0.00 0.02 -0.04 7.13 7.08 1zc6A1 TRP 150 HH2 -0.02 0.02 0.01 -0.04 7.19 7.17 1zc6A1 GLY 151 H 0.16 -0.20 -0.04 -0.55 8.43 7.80 1zc6A1 GLY 151 HA2 0.15 -0.11 0.34 -0.51 4.01 3.88 1zc6A1 GLY 151 HA3 0.15 0.31 0.62 -0.51 4.01 4.58 1zc6A1 TYR 152 H 0.28 0.05 0.11 -0.55 8.29 8.18 1zc6A1 TYR 152 HA 0.10 0.11 0.30 -0.75 4.56 4.32 1zc6A1 TYR 152 HB2 0.11 -0.03 0.09 -0.04 3.06 3.18 1zc6A1 TYR 152 HB3 0.09 -0.05 0.15 -0.04 2.98 3.13 1zc6A1 TYR 152 HD2 0.09 -0.01 -0.12 -0.04 7.15 7.07 1zc6A1 TYR 152 HE2 0.12 0.06 -0.07 -0.04 6.85 6.92 1zc6A1 PRO 153 HA -0.31 -0.01 0.31 -0.51 4.44 3.92 1zc6A1 PRO 153 HB2 -0.42 0.09 0.01 -0.04 2.28 1.92 1zc6A1 PRO 153 HB3 -1.44 0.01 0.03 -0.04 2.02 0.58 1zc6A1 PRO 153 HG2 -0.20 0.07 -0.03 -0.04 2.03 1.83 1zc6A1 PRO 153 HG3 -0.30 0.08 0.03 -0.04 2.03 1.80 1zc6A1 PRO 153 HD2 -0.10 0.10 0.41 -0.04 3.68 4.05 1zc6A1 PRO 153 HD3 -0.25 0.12 -0.01 -0.04 3.65 3.47 1zc6A1 SER 154 H -0.04 0.21 -0.05 -0.55 8.46 8.04 1zc6A1 SER 154 HA -0.01 0.12 0.48 -0.75 4.49 4.32 1zc6A1 SER 154 HB2 -0.03 0.01 0.04 -0.04 3.95 3.93 1zc6A1 SER 154 HB3 -0.03 0.01 0.07 -0.04 3.93 3.94 1zc6A1 GLY 155 H 0.11 0.39 -0.19 -0.55 8.43 8.20 1zc6A1 GLY 155 HA2 0.13 0.24 0.75 -0.51 4.01 4.62 1zc6A1 GLY 155 HA3 0.21 -0.19 0.27 -0.51 4.01 3.80 1zc6A1 ASP 156 H 0.17 -0.10 0.12 -0.55 8.40 8.04 1zc6A1 ASP 156 HA 0.09 -0.00 0.39 -0.75 4.63 4.35 1zc6A1 ASP 156 HB2 0.22 0.17 -0.35 -0.04 2.71 2.71 1zc6A1 ASP 156 HB3 0.18 -0.02 0.22 -0.04 2.70 3.04 1zc6A1 GLU 157 H -0.00 -0.01 -0.16 -0.55 8.60 7.89 1zc6A1 GLU 157 HA -0.66 0.14 0.40 -0.75 4.29 3.41 1zc6A1 GLU 157 HB2 -0.18 -0.03 -0.03 -0.04 2.09 1.81 1zc6A1 GLU 157 HB3 -0.52 0.06 0.00 -0.04 1.99 1.49 1zc6A1 GLU 157 HG2 -0.11 0.08 -0.02 -0.04 2.34 2.25 1zc6A1 GLU 157 HG3 -0.07 0.13 -0.07 -0.04 2.34 2.29 1zc6A1 ALA 158 H -1.31 0.17 0.12 -0.55 8.40 6.84 1zc6A1 ALA 158 HA -0.35 0.03 0.32 -0.75 4.34 3.59 1zc6A1 ALA 158 HB3 -0.17 0.08 -0.02 -0.04 1.41 1.26 1zc6A1 SER 159 H 0.08 0.13 -0.37 -0.55 8.46 7.75 1zc6A1 SER 159 HA 0.06 0.25 0.70 -0.75 4.49 4.75 1zc6A1 SER 159 HB2 0.10 0.01 -0.38 -0.04 3.95 3.64 1zc6A1 SER 159 HB3 0.08 -0.03 -0.45 -0.04 3.93 3.49 1zc6A1 GLY 160 H 0.09 0.81 0.29 -0.55 8.43 9.08 1zc6A1 GLY 160 HA2 0.09 0.10 0.44 -0.51 4.01 4.12 1zc6A1 GLY 160 HA3 0.08 0.03 0.37 -0.51 4.01 3.97 1zc6A1 ALA 161 H 0.14 0.41 0.09 -0.55 8.40 8.50 1zc6A1 ALA 161 HA 0.22 0.02 0.40 -0.75 4.34 4.23 1zc6A1 ALA 161 HB3 0.19 0.00 0.18 -0.04 1.41 1.74 1zc6A1 TRP 162 H 0.32 0.05 -0.34 -0.55 7.97 7.45 1zc6A1 TRP 162 HA -0.01 0.10 0.35 -0.75 4.62 4.31 1zc6A1 TRP 162 HB2 0.03 0.29 0.20 -0.04 3.23 3.71 1zc6A1 TRP 162 HB3 0.01 0.06 0.14 -0.04 3.23 3.41 1zc6A1 TRP 162 HD1 0.00 0.20 -0.09 -0.04 7.22 7.29 1zc6A1 TRP 162 HE1 -0.02 0.08 -0.03 -0.04 10.20 10.19 1zc6A1 TRP 162 HE3 -0.03 0.04 -0.17 -0.04 7.59 7.39 1zc6A1 TRP 162 HZ2 -0.01 0.06 -0.03 -0.04 7.44 7.41 1zc6A1 TRP 162 HZ3 -0.04 0.09 -0.03 -0.04 7.13 7.11 1zc6A1 TRP 162 HH2 -0.01 0.05 -0.01 -0.04 7.19 7.17 1zc6A1 LEU 163 H 0.35 0.58 -0.12 -0.55 8.37 8.64 1zc6A1 LEU 163 HA 0.01 -0.00 0.28 -0.75 4.35 3.89 1zc6A1 LEU 163 HB2 0.09 0.08 0.08 -0.04 1.64 1.85 1zc6A1 LEU 163 HB3 0.03 -0.03 -0.04 -0.04 1.64 1.55 1zc6A1 LEU 163 HG 0.32 0.09 -0.06 -0.04 1.64 1.95 1zc6A1 LEU 163 HD13 0.03 -0.01 -0.12 -0.04 0.93 0.80 1zc6A1 LEU 163 HD23 0.25 -0.00 -0.14 -0.04 0.89 0.96 1zc6A1 GLY 164 H 0.06 0.42 -0.46 -0.55 8.43 7.90 1zc6A1 GLY 164 HA2 0.02 -0.01 0.33 -0.51 4.01 3.83 1zc6A1 GLY 164 HA3 0.19 0.16 0.25 -0.51 4.01 4.09 1zc6A1 GLN 165 H -0.30 0.64 -0.05 -0.55 8.47 8.22 1zc6A1 GLN 165 HA -0.82 0.02 0.41 -0.75 4.36 3.22 1zc6A1 GLN 165 HB2 -0.50 0.11 0.18 -0.04 2.15 1.89 1zc6A1 GLN 165 HB3 -0.49 -0.02 0.01 -0.04 2.02 1.48 1zc6A1 GLN 165 HG2 -1.41 -0.05 0.02 -0.04 2.40 0.92 1zc6A1 GLN 165 HG3 -0.52 0.26 0.10 -0.04 2.39 2.19 1zc6A1 GLN 165 HE21 0.00 0.05 -0.02 -0.04 6.97 6.96 1zc6A1 GLN 165 HE22 0.12 -0.08 -0.28 -0.04 7.69 7.41 1zc6A1 ARG 166 H -0.47 0.46 -0.13 -0.55 8.46 7.77 1zc6A1 ARG 166 HA -0.30 0.04 0.43 -0.75 4.34 3.76 1zc6A1 ARG 166 HB2 -0.54 0.10 0.09 -0.04 1.90 1.51 1zc6A1 ARG 166 HB3 -0.34 -0.03 -0.03 -0.04 1.80 1.36 1zc6A1 ARG 166 HG2 -0.49 0.00 -0.01 -0.04 1.67 1.13 1zc6A1 ARG 166 HG3 -0.53 -0.02 -0.02 -0.04 1.67 1.06 1zc6A1 ARG 166 HD2 -1.64 0.20 -0.06 -0.04 3.22 1.68 1zc6A1 ARG 166 HD3 -2.19 -0.04 -0.05 -0.04 3.22 0.89 1zc6A1 ALA 167 H -0.18 0.52 -0.20 -0.55 8.40 7.98 1zc6A1 ALA 167 HA -0.14 -0.04 0.36 -0.75 4.34 3.76 1zc6A1 ALA 167 HB3 -0.11 0.02 0.04 -0.04 1.41 1.31 1zc6A1 ALA 168 H -0.07 0.60 -0.23 -0.55 8.40 8.15 1zc6A1 ALA 168 HA -0.07 0.02 0.41 -0.75 4.34 3.94 1zc6A1 ALA 168 HB3 0.23 0.03 0.08 -0.04 1.41 1.71 1zc6A1 GLN 169 H -0.12 0.60 -0.07 -0.55 8.47 8.32 1zc6A1 GLN 169 HA -0.08 0.01 0.41 -0.75 4.36 3.96 1zc6A1 GLN 169 HB2 -0.13 0.00 0.08 -0.04 2.15 2.05 1zc6A1 GLN 169 HB3 -0.17 0.05 0.16 -0.04 2.02 2.01 1zc6A1 GLN 169 HG2 -0.11 0.03 -0.28 -0.04 2.40 1.99 1zc6A1 GLN 169 HG3 -0.09 -0.03 -0.00 -0.04 2.39 2.23 1zc6A1 GLN 169 HE21 -0.08 -0.02 -0.04 -0.04 6.97 6.80 1zc6A1 GLN 169 HE22 -0.06 0.00 -0.04 -0.04 7.69 7.55 1zc6A1 LEU 170 H -0.17 0.57 -0.17 -0.55 8.37 8.06 1zc6A1 LEU 170 HA -0.28 0.05 0.35 -0.75 4.35 3.71 1zc6A1 LEU 170 HB2 -0.20 0.07 0.10 -0.04 1.64 1.57 1zc6A1 LEU 170 HB3 -0.34 -0.08 -0.00 -0.04 1.64 1.17 1zc6A1 LEU 170 HG -0.19 0.06 0.03 -0.04 1.64 1.50 1zc6A1 LEU 170 HD13 -0.14 -0.04 -0.10 -0.04 0.93 0.61 1zc6A1 LEU 170 HD23 -0.34 -0.01 -0.00 -0.04 0.89 0.50 1zc6A1 THR 171 H -0.14 0.30 -0.46 -0.55 8.28 7.43 1zc6A1 THR 171 HA -0.15 -0.06 0.38 -0.75 4.39 3.82 1zc6A1 THR 171 HB -0.11 0.15 0.07 -0.04 4.32 4.40 1zc6A1 THR 171 HG23 -0.05 -0.02 -0.07 -0.04 1.22 1.04 1zc6A1 GLN 172 H -0.11 0.43 -0.24 -0.55 8.47 8.00 1zc6A1 GLN 172 HA -0.15 -0.00 0.30 -0.75 4.36 3.76 1zc6A1 GLN 172 HB2 -0.09 0.17 0.17 -0.04 2.15 2.36 1zc6A1 GLN 172 HB3 -0.11 -0.08 0.09 -0.04 2.02 1.88 1zc6A1 GLN 172 HG2 -0.12 -0.05 -0.02 -0.04 2.40 2.16 1zc6A1 GLN 172 HG3 -0.07 0.12 0.01 -0.04 2.39 2.41 1zc6A1 GLN 172 HE21 0.10 -0.05 -0.13 -0.04 6.97 6.85 1zc6A1 GLN 172 HE22 0.10 -0.02 -0.11 -0.04 7.69 7.61 1zc6A1 ALA 174 HA -0.11 0.19 0.11 -0.75 4.34 3.78 1zc6A1 ALA 174 HB3 -0.64 -0.01 -0.09 -0.04 1.41 0.62 1zc6A1 LEU 175 H -0.10 0.62 -1.02 -0.55 8.37 7.32 1zc6A1 LEU 175 HA 0.16 -0.05 0.41 -0.75 4.35 4.11 1zc6A1 LEU 175 HB2 -0.07 0.28 0.17 -0.04 1.64 1.97 1zc6A1 LEU 175 HB3 -0.01 -0.05 0.00 -0.04 1.64 1.55 1zc6A1 LEU 175 HG 0.08 -0.12 -0.04 -0.04 1.64 1.52 1zc6A1 LEU 175 HD13 0.23 -0.03 -0.05 -0.04 0.93 1.04 1zc6A1 LEU 175 HD23 -0.08 0.02 -0.15 -0.04 0.89 0.64 1zc6A1 ASP 176 H 0.06 0.54 0.20 -0.55 8.40 8.65 1zc6A1 ASP 176 HA 0.27 0.22 0.97 -0.75 4.63 5.34 1zc6A1 ASP 176 HB2 0.19 -0.04 0.18 -0.04 2.71 2.99 1zc6A1 ASP 176 HB3 0.28 -0.02 0.06 -0.04 2.70 2.99 1zc6A1 GLY 177 H 0.06 0.35 -0.40 -0.55 8.43 7.89 1zc6A1 GLY 177 HA2 0.05 0.09 0.30 -0.51 4.01 3.94 1zc6A1 GLY 177 HA3 0.05 0.13 0.58 -0.51 4.01 4.27 1zc6A1 ARG 178 H 0.05 0.12 -0.29 -0.55 8.46 7.79 1zc6A1 ARG 178 HA 0.02 0.18 0.72 -0.75 4.34 4.51 1zc6A1 ARG 178 HB2 0.03 -0.03 0.13 -0.04 1.90 2.00 1zc6A1 ARG 178 HB3 0.03 0.00 -0.01 -0.04 1.80 1.78 1zc6A1 ARG 178 HG2 0.04 -0.03 -0.16 -0.04 1.67 1.47 1zc6A1 ARG 178 HG3 0.03 0.02 -0.15 -0.04 1.67 1.53 1zc6A1 ARG 178 HD2 0.03 -0.01 -0.05 -0.04 3.22 3.14 1zc6A1 ARG 178 HD3 0.04 0.02 -0.09 -0.04 3.22 3.15 1zc6A1 HIS 179 H 0.06 0.23 -0.47 -0.55 8.41 7.69 1zc6A1 HIS 179 HA -0.02 0.02 0.51 -0.75 4.63 4.37 1zc6A1 HIS 179 HB2 -0.04 0.02 -0.40 -0.04 3.26 2.80 1zc6A1 HIS 179 HB3 -0.08 0.21 -0.08 -0.04 3.20 3.21 1zc6A1 HIS 179 HD2 -0.03 0.00 0.03 -0.04 6.97 6.92 1zc6A1 HIS 179 HE1 -0.02 -0.11 0.01 -0.04 7.75 7.58 1zc6A1 SER 180 H -0.22 0.07 0.13 -0.55 8.46 7.89 1zc6A1 SER 180 HA 0.05 0.13 0.71 -0.75 4.49 4.62 1zc6A1 SER 180 HB2 -0.04 -0.06 0.12 -0.04 3.95 3.92 1zc6A1 SER 180 HB3 0.05 0.15 0.07 -0.04 3.93 4.16 1zc6A1 HIS 181 H 0.16 0.10 0.18 -0.55 8.41 8.31 1zc6A1 HIS 181 HA 0.05 0.10 0.55 -0.75 4.63 4.57 1zc6A1 HIS 181 HB2 0.04 -0.00 0.13 -0.04 3.26 3.39 1zc6A1 HIS 181 HB3 0.03 -0.02 -0.04 -0.04 3.20 3.12 1zc6A1 HIS 181 HD2 0.04 0.01 -0.00 -0.04 6.97 6.98 1zc6A1 HIS 181 HE1 0.01 0.02 -0.13 -0.04 7.75 7.61 1zc6A1 SER 182 H 0.12 0.12 0.22 -0.55 8.46 8.38 1zc6A1 SER 182 HA 0.08 0.25 0.63 -0.75 4.49 4.69 1zc6A1 SER 182 HB2 0.06 0.03 0.19 -0.04 3.95 4.18 1zc6A1 SER 182 HB3 0.10 0.18 -0.16 -0.04 3.93 4.01 1zc6A1 PRO 183 HA 0.02 0.11 0.43 -0.51 4.44 4.49 1zc6A1 PRO 183 HB2 0.02 -0.03 0.07 -0.04 2.28 2.30 1zc6A1 PRO 183 HB3 0.02 0.09 0.08 -0.04 2.02 2.16 1zc6A1 PRO 183 HG2 0.03 0.20 -0.00 -0.04 2.03 2.21 1zc6A1 PRO 183 HG3 0.03 0.08 0.07 -0.04 2.03 2.16 1zc6A1 PRO 183 HD2 0.04 0.04 0.22 -0.04 3.68 3.94 1zc6A1 PRO 183 HD3 0.04 0.20 0.22 -0.04 3.65 4.07 1zc6A1 LEU 184 H 0.00 0.08 -0.19 -0.55 8.37 7.72 1zc6A1 LEU 184 HA -0.04 0.14 0.42 -0.75 4.35 4.12 1zc6A1 LEU 184 HB2 -0.03 -0.08 0.10 -0.04 1.64 1.59 1zc6A1 LEU 184 HB3 -0.06 0.05 0.01 -0.04 1.64 1.60 1zc6A1 LEU 184 HG -0.06 -0.00 0.01 -0.04 1.64 1.54 1zc6A1 LEU 184 HD13 -0.09 0.01 -0.07 -0.04 0.93 0.74 1zc6A1 LEU 184 HD23 -0.09 0.02 -0.12 -0.04 0.89 0.66 1zc6A1 THR 185 H -0.01 0.05 -0.11 -0.55 8.28 7.67 1zc6A1 THR 185 HA -0.05 0.10 0.36 -0.75 4.39 4.05 1zc6A1 THR 185 HB -0.03 0.11 0.04 -0.04 4.32 4.40 1zc6A1 THR 185 HG23 -0.15 0.04 -0.16 -0.04 1.22 0.91 1zc6A1 ARG 186 H 0.07 0.49 -0.21 -0.55 8.46 8.26 1zc6A1 ARG 186 HA 0.03 0.05 0.44 -0.75 4.34 4.10 1zc6A1 ARG 186 HB2 0.01 0.08 0.09 -0.04 1.90 2.05 1zc6A1 ARG 186 HB3 -0.01 -0.00 0.00 -0.04 1.80 1.74 1zc6A1 ARG 186 HG2 -0.10 -0.01 -0.02 -0.04 1.67 1.51 1zc6A1 ARG 186 HG3 0.06 0.09 -0.05 -0.04 1.67 1.74 1zc6A1 ARG 186 HD2 0.00 -0.01 -0.11 -0.04 3.22 3.06 1zc6A1 ARG 186 HD3 -0.04 0.01 -0.04 -0.04 3.22 3.11 1zc6A1 ALA 187 H -0.00 0.47 -0.13 -0.55 8.40 8.19 1zc6A1 ALA 187 HA 0.00 0.02 0.43 -0.75 4.34 4.04 1zc6A1 ALA 187 HB3 -0.03 0.02 0.16 -0.04 1.41 1.52 1zc6A1 VAL 188 H -0.06 0.67 0.01 -0.55 8.24 8.31 1zc6A1 VAL 188 HA -0.14 0.02 0.38 -0.75 4.13 3.63 1zc6A1 VAL 188 HB -0.11 0.05 0.07 -0.04 2.12 2.09 1zc6A1 VAL 188 HG13 -0.26 0.00 -0.22 -0.04 0.97 0.46 1zc6A1 VAL 188 HG23 -0.18 0.00 -0.06 -0.04 0.95 0.67 1zc6A1 LEU 189 H -0.02 0.68 -0.16 -0.55 8.37 8.32 1zc6A1 LEU 189 HA -0.05 0.02 0.37 -0.75 4.35 3.93 1zc6A1 LEU 189 HB2 0.07 0.10 0.09 -0.04 1.64 1.86 1zc6A1 LEU 189 HB3 0.02 0.06 0.16 -0.04 1.64 1.84 1zc6A1 LEU 189 HG 0.02 -0.12 -0.31 -0.04 1.64 1.18 1zc6A1 LEU 189 HD13 0.04 -0.02 -0.19 -0.04 0.93 0.71 1zc6A1 LEU 189 HD23 0.09 0.01 -0.11 -0.04 0.89 0.84 1zc6A1 ASP 190 H 0.00 0.63 -0.10 -0.55 8.40 8.39 1zc6A1 ASP 190 HA -0.01 -0.04 0.41 -0.75 4.63 4.23 1zc6A1 ASP 190 HB2 -0.00 0.01 0.15 -0.04 2.71 2.82 1zc6A1 ASP 190 HB3 0.02 0.14 0.18 -0.04 2.70 3.00 1zc6A1 PHE 191 H 0.10 0.56 -0.15 -0.55 8.34 8.30 1zc6A1 PHE 191 HA -0.07 0.00 0.41 -0.75 4.62 4.20 1zc6A1 PHE 191 HB2 -0.09 -0.02 0.09 -0.04 3.15 3.09 1zc6A1 PHE 191 HB3 -0.19 0.07 0.14 -0.04 3.06 3.04 1zc6A1 PHE 191 HD2 -0.23 0.02 -0.17 -0.04 7.28 6.85 1zc6A1 PHE 191 HE2 0.03 -0.03 -0.04 -0.04 7.38 7.31 1zc6A1 PHE 191 HZ 0.08 -0.06 -0.02 -0.04 7.32 7.27 1zc6A1 VAL 192 H -0.05 0.40 -0.31 -0.55 8.24 7.73 1zc6A1 VAL 192 HA -0.31 0.10 0.70 -0.75 4.13 3.87 1zc6A1 VAL 192 HB -0.22 0.13 0.18 -0.04 2.12 2.17 1zc6A1 VAL 192 HG13 -0.06 -0.04 -0.05 -0.04 0.97 0.78 1zc6A1 VAL 192 HG23 -1.21 -0.03 -0.02 -0.04 0.95 -0.35 1zc6A1 GLY 193 H -0.06 0.29 -0.01 -0.55 8.43 8.10 1zc6A1 GLY 193 HA2 -0.03 0.05 0.31 -0.51 4.01 3.83 1zc6A1 GLY 193 HA3 0.00 0.05 0.69 -0.51 4.01 4.24 1zc6A1 GLY 194 H -0.02 0.61 0.22 -0.55 8.43 8.69 1zc6A1 GLY 194 HA2 0.00 -0.03 0.16 -0.51 4.01 3.64 1zc6A1 GLY 194 HA3 0.01 0.13 0.53 -0.51 4.01 4.16 1zc6A1 ASP 195 H 0.04 0.16 -0.27 -0.55 8.40 7.79 1zc6A1 ASP 195 HA 0.11 0.18 0.50 -0.75 4.63 4.67 1zc6A1 ASP 195 HB2 0.13 -0.11 0.16 -0.04 2.71 2.85 1zc6A1 ASP 195 HB3 0.07 0.18 -0.23 -0.04 2.70 2.68 1zc6A1 TRP 196 H 0.33 0.17 0.11 -0.55 7.97 8.04 1zc6A1 TRP 196 HA 0.04 0.11 0.34 -0.75 4.62 4.35 1zc6A1 TRP 196 HB2 0.03 -0.00 0.19 -0.04 3.23 3.40 1zc6A1 TRP 196 HB3 0.03 -0.04 0.10 -0.04 3.23 3.28 1zc6A1 TRP 196 HD1 0.03 0.03 0.02 -0.04 7.22 7.26 1zc6A1 TRP 196 HE1 0.02 0.08 -0.14 -0.04 10.20 10.12 1zc6A1 TRP 196 HE3 0.03 -0.01 -0.13 -0.04 7.59 7.43 1zc6A1 TRP 196 HZ2 0.02 0.01 -0.01 -0.04 7.44 7.42 1zc6A1 TRP 196 HZ3 0.02 -0.01 -0.03 -0.04 7.13 7.08 1zc6A1 TRP 196 HH2 0.02 -0.01 -0.01 -0.04 7.19 7.14 1zc6A1 GLN 197 H 0.33 0.05 -0.04 -0.55 8.47 8.26 1zc6A1 GLN 197 HA 0.23 0.08 0.36 -0.75 4.36 4.27 1zc6A1 GLN 197 HB2 0.13 -0.04 -0.02 -0.04 2.15 2.18 1zc6A1 GLN 197 HB3 0.12 0.05 -0.02 -0.04 2.02 2.13 1zc6A1 GLN 197 HG2 0.11 0.02 0.02 -0.04 2.40 2.50 1zc6A1 GLN 197 HG3 0.19 0.04 0.04 -0.04 2.39 2.62 1zc6A1 GLN 197 HE21 0.07 0.01 0.04 -0.04 6.97 7.04 1zc6A1 GLN 197 HE22 0.24 0.06 0.01 -0.04 7.69 7.95 1zc6A1 ALA 198 H 0.10 -0.02 -0.63 -0.55 8.40 7.30 1zc6A1 ALA 198 HA 0.08 0.06 0.21 -0.75 4.34 3.94 1zc6A1 ALA 198 HB3 0.04 0.10 -0.06 -0.04 1.41 1.45 1zc6A1 ALA 201 HA 0.03 -0.11 0.36 -0.75 4.34 3.87 1zc6A1 ALA 201 HB3 0.07 0.01 -0.28 -0.04 1.41 1.17 1zc6A1 TRP 202 H 0.25 0.97 1.27 -0.55 7.97 9.91 1zc6A1 TRP 202 HA -0.04 0.00 0.45 -0.75 4.62 4.28 1zc6A1 TRP 202 HB2 -0.02 0.24 0.27 -0.04 3.23 3.68 1zc6A1 TRP 202 HB3 -0.02 -0.07 0.09 -0.04 3.23 3.19 1zc6A1 TRP 202 HD1 -0.02 0.08 0.09 -0.04 7.22 7.32 1zc6A1 TRP 202 HE1 0.11 -0.01 -0.00 -0.04 10.20 10.26 1zc6A1 TRP 202 HE3 -0.03 0.02 -0.33 -0.04 7.59 7.21 1zc6A1 TRP 202 HZ2 0.02 0.20 -0.10 -0.04 7.44 7.53 1zc6A1 TRP 202 HZ3 0.09 -0.02 -0.11 -0.04 7.13 7.05 1zc6A1 TRP 202 HH2 -0.07 -0.09 -0.19 -0.04 7.19 6.80 1zc6A1 ASN 203 H 0.26 0.26 -0.26 -0.55 8.53 8.23 1zc6A1 ASN 203 HA -0.05 0.02 0.44 -0.75 4.76 4.41 1zc6A1 ASN 203 HB2 0.29 0.02 -0.01 -0.04 2.88 3.14 1zc6A1 ASN 203 HB3 0.09 0.07 -0.09 -0.04 2.79 2.81 1zc6A1 ASN 203 HD21 0.50 -0.03 -0.03 -0.04 7.03 7.42 1zc6A1 ASN 203 HD22 0.62 -0.00 -0.05 -0.04 7.74 8.27 1zc6A1 GLY 204 H -0.01 0.26 -0.52 -0.55 8.43 7.61 1zc6A1 GLY 204 HA2 -0.02 0.03 0.44 -0.51 4.01 3.94 1zc6A1 GLY 204 HA3 -0.03 0.06 0.29 -0.51 4.01 3.83 1zc6A1 ARG 205 H -0.20 0.38 -0.23 -0.55 8.46 7.85 1zc6A1 ARG 205 HA -0.13 0.17 0.83 -0.75 4.34 4.45 1zc6A1 ARG 205 HB2 -0.17 -0.09 0.17 -0.04 1.90 1.77 1zc6A1 ARG 205 HB3 -0.11 -0.02 0.01 -0.04 1.80 1.64 1zc6A1 ARG 205 HG2 -0.17 0.27 0.09 -0.04 1.67 1.82 1zc6A1 ARG 205 HG3 -0.34 -0.01 -0.03 -0.04 1.67 1.25 1zc6A1 ARG 205 HD2 -0.12 -0.07 0.00 -0.04 3.22 2.99 1zc6A1 ARG 205 HD3 -0.08 -0.04 -0.01 -0.04 3.22 3.05 1zc6A1 ALA 206 H -0.32 0.24 -0.52 -0.55 8.40 7.26 1zc6A1 ALA 206 HA -0.88 -0.02 0.45 -0.75 4.34 3.15 1zc6A1 ALA 206 HB3 -0.91 0.01 0.06 -0.04 1.41 0.54 1zc6A1 THR 207 H -0.57 0.10 0.26 -0.55 8.28 7.52 1zc6A1 THR 207 HA -0.17 0.29 0.78 -0.75 4.39 4.53 1zc6A1 THR 207 HB -0.16 -0.05 0.16 -0.04 4.32 4.22 1zc6A1 THR 207 HG23 -0.15 0.11 -0.15 -0.04 1.22 0.98 1zc6A1 PRO 208 HA -0.15 0.10 0.47 -0.51 4.44 4.35 1zc6A1 PRO 208 HB2 -0.17 -0.04 0.12 -0.04 2.28 2.16 1zc6A1 PRO 208 HB3 -0.20 0.01 0.11 -0.04 2.02 1.90 1zc6A1 PRO 208 HG2 -0.39 0.04 0.10 -0.04 2.03 1.74 1zc6A1 PRO 208 HG3 -1.95 0.08 0.09 -0.04 2.03 0.20 1zc6A1 PRO 208 HD2 -0.25 0.12 0.23 -0.04 3.68 3.73 1zc6A1 PRO 208 HD3 -0.53 0.27 0.20 -0.04 3.65 3.55 1zc6A1 ALA 209 H -0.11 0.18 -0.13 -0.55 8.40 7.79 1zc6A1 ALA 209 HA 0.00 -0.01 0.43 -0.75 4.34 4.01 1zc6A1 ALA 209 HB3 -0.04 0.03 0.05 -0.04 1.41 1.42 1zc6A1 GLN 210 H -0.16 0.10 -0.29 -0.55 8.47 7.58 1zc6A1 GLN 210 HA 0.04 0.13 0.49 -0.75 4.36 4.27 1zc6A1 GLN 210 HB2 -0.60 -0.23 0.25 -0.04 2.15 1.54 1zc6A1 GLN 210 HB3 -0.67 0.13 0.03 -0.04 2.02 1.47 1zc6A1 GLN 210 HG2 -0.22 -0.14 0.05 -0.04 2.40 2.04 1zc6A1 GLN 210 HG3 -0.45 0.21 0.08 -0.04 2.39 2.19 1zc6A1 GLN 210 HE21 -0.00 0.05 -0.02 -0.04 6.97 6.96 1zc6A1 GLN 210 HE22 -0.06 -0.12 -0.08 -0.04 7.69 7.39 1zc6A1 PHE 211 H -0.02 0.43 -0.04 -0.55 8.34 8.16 1zc6A1 PHE 211 HA 0.41 0.14 0.43 -0.75 4.62 4.85 1zc6A1 PHE 211 HB2 0.07 -0.00 0.20 -0.04 3.15 3.37 1zc6A1 PHE 211 HB3 0.12 -0.02 0.06 -0.04 3.06 3.18 1zc6A1 PHE 211 HD2 0.25 -0.04 -0.20 -0.04 7.28 7.25 1zc6A1 PHE 211 HE2 0.31 0.04 -0.11 -0.04 7.38 7.58 1zc6A1 PHE 211 HZ 0.09 0.08 -0.04 -0.04 7.32 7.41 1zc6A1 ALA 212 H 0.17 0.50 -0.13 -0.55 8.40 8.39 1zc6A1 ALA 212 HA 0.11 0.13 0.10 -0.75 4.34 3.93 1zc6A1 ALA 212 HB3 0.07 0.01 0.06 -0.04 1.41 1.51 1zc6A1 ARG 213 H 0.14 0.32 -0.59 -0.55 8.46 7.77 1zc6A1 ARG 213 HA 0.06 -0.01 0.39 -0.75 4.34 4.02 1zc6A1 ARG 213 HB2 0.28 0.29 0.10 -0.04 1.90 2.53 1zc6A1 ARG 213 HB3 0.27 -0.02 0.09 -0.04 1.80 2.10 1zc6A1 ARG 213 HG2 0.11 -0.11 0.05 -0.04 1.67 1.68 1zc6A1 ARG 213 HG3 0.13 0.18 0.17 -0.04 1.67 2.12 1zc6A1 ARG 213 HD2 0.21 -0.01 0.04 -0.04 3.22 3.42 1zc6A1 ARG 213 HD3 0.12 -0.06 0.00 -0.04 3.22 3.24 1zc6A1 LEU 214 H 0.05 0.57 -0.48 -0.55 8.37 7.96 1zc6A1 LEU 214 HA -0.46 0.11 0.62 -0.75 4.35 3.87 1zc6A1 LEU 214 HB2 0.02 0.14 0.15 -0.04 1.64 1.91 1zc6A1 LEU 214 HB3 -0.18 -0.11 0.06 -0.04 1.64 1.38 1zc6A1 LEU 214 HG 0.05 0.10 0.04 -0.04 1.64 1.78 1zc6A1 LEU 214 HD13 -0.10 -0.02 -0.01 -0.04 0.93 0.75 1zc6A1 LEU 214 HD23 -0.73 0.00 -0.06 -0.04 0.89 0.06 1zc6A1 ALA 215 H -0.01 0.43 -0.22 -0.55 8.40 8.06 1zc6A1 ALA 215 HA -0.04 -0.04 0.32 -0.75 4.34 3.83 1zc6A1 ALA 215 HB3 0.01 0.02 0.13 -0.04 1.41 1.54 1zc6A1 PRO 216 HA -0.05 0.03 0.48 -0.51 4.44 4.39 1zc6A1 PRO 216 HB2 -0.03 0.05 -0.02 -0.04 2.28 2.24 1zc6A1 PRO 216 HB3 -0.01 0.00 0.06 -0.04 2.02 2.03 1zc6A1 PRO 216 HG2 -0.10 0.12 -0.02 -0.04 2.03 2.00 1zc6A1 PRO 216 HG3 -0.02 0.04 0.03 -0.04 2.03 2.04 1zc6A1 PRO 216 HD2 -0.07 0.14 -0.44 -0.04 3.68 3.27 1zc6A1 PRO 216 HD3 -0.02 0.06 0.04 -0.04 3.65 3.69 1zc6A1 LEU 217 H -0.15 0.40 -0.46 -0.55 8.37 7.61 1zc6A1 LEU 217 HA -0.08 0.05 0.48 -0.75 4.35 4.04 1zc6A1 LEU 217 HB2 -0.21 0.28 0.14 -0.04 1.64 1.81 1zc6A1 LEU 217 HB3 -0.14 -0.09 0.02 -0.04 1.64 1.39 1zc6A1 LEU 217 HG -0.35 0.06 0.03 -0.04 1.64 1.34 1zc6A1 LEU 217 HD13 -0.50 -0.01 -0.10 -0.04 0.93 0.28 1zc6A1 LEU 217 HD23 -0.06 -0.01 -0.04 -0.04 0.89 0.74 1zc6A1 VAL 218 H -0.11 0.40 -0.17 -0.55 8.24 7.81 1zc6A1 VAL 218 HA -0.10 -0.03 0.47 -0.75 4.13 3.72 1zc6A1 VAL 218 HB -0.10 0.16 0.13 -0.04 2.12 2.27 1zc6A1 VAL 218 HG13 -0.14 -0.04 -0.11 -0.04 0.97 0.65 1zc6A1 VAL 218 HG23 -0.09 0.02 -0.06 -0.04 0.95 0.78 1zc6A1 LEU 219 H -0.12 0.49 -0.04 -0.55 8.37 8.16 1zc6A1 LEU 219 HA -0.33 0.03 0.34 -0.75 4.35 3.64 1zc6A1 LEU 219 HB2 -0.06 0.05 0.14 -0.04 1.64 1.73 1zc6A1 LEU 219 HB3 -0.07 0.04 -0.01 -0.04 1.64 1.55 1zc6A1 LEU 219 HG -0.12 0.06 -0.01 -0.04 1.64 1.53 1zc6A1 LEU 219 HD13 -0.03 -0.03 -0.08 -0.04 0.93 0.76 1zc6A1 LEU 219 HD23 -0.25 0.01 -0.09 -0.04 0.89 0.53 1zc6A1 SER 220 H -0.05 0.47 -0.28 -0.55 8.46 8.05 1zc6A1 SER 220 HA 0.03 0.07 0.43 -0.75 4.49 4.26 1zc6A1 SER 220 HB2 -0.02 0.02 0.13 -0.04 3.95 4.04 1zc6A1 SER 220 HB3 0.01 -0.04 0.01 -0.04 3.93 3.87 1zc6A1 ALA 221 H -0.04 0.53 -0.08 -0.55 8.40 8.27 1zc6A1 ALA 221 HA 0.01 0.04 0.40 -0.75 4.34 4.03 1zc6A1 ALA 221 HB3 -0.03 -0.01 0.08 -0.04 1.41 1.41 1zc6A1 ALA 222 H -0.04 0.51 -0.50 -0.55 8.40 7.82 1zc6A1 ALA 222 HA 0.03 -0.11 0.33 -0.75 4.34 3.83 1zc6A1 ALA 222 HB3 -0.07 0.07 -0.05 -0.04 1.41 1.31 1zc6A1 ARG 223 H 0.12 0.40 -0.37 -0.55 8.46 8.06 1zc6A1 ARG 223 HA 0.18 0.09 0.48 -0.75 4.34 4.33 1zc6A1 ARG 223 HB2 0.10 0.15 0.11 -0.04 1.90 2.22 1zc6A1 ARG 223 HB3 0.08 -0.03 0.05 -0.04 1.80 1.85 1zc6A1 ARG 223 HG2 0.14 -0.01 0.04 -0.04 1.67 1.79 1zc6A1 ARG 223 HG3 0.27 0.02 0.01 -0.04 1.67 1.93 1zc6A1 ARG 223 HD2 0.07 -0.03 0.03 -0.04 3.22 3.25 1zc6A1 ARG 223 HD3 0.09 -0.02 0.02 -0.04 3.22 3.27 1zc6A1 VAL 224 H 0.06 0.38 -0.19 -0.55 8.24 7.94 1zc6A1 VAL 224 HA 0.05 0.25 0.98 -0.75 4.13 4.66 1zc6A1 VAL 224 HB 0.03 -0.04 0.15 -0.04 2.12 2.22 1zc6A1 VAL 224 HG13 0.04 0.00 -0.15 -0.04 0.97 0.82 1zc6A1 VAL 224 HG23 0.03 -0.02 -0.03 -0.04 0.95 0.89 1zc6A1 ASP 225 H 0.06 0.47 0.10 -0.55 8.40 8.49 1zc6A1 ASP 225 HA 0.04 0.28 1.07 -0.75 4.63 5.26 1zc6A1 ASP 225 HB2 0.02 0.02 0.05 -0.04 2.71 2.76 1zc6A1 ASP 225 HB3 0.02 -0.05 0.09 -0.04 2.70 2.71 1zc6A1 PRO 226 HA 0.08 0.14 0.42 -0.51 4.44 4.57 1zc6A1 PRO 226 HB2 0.05 0.01 0.03 -0.04 2.28 2.33 1zc6A1 PRO 226 HB3 0.06 0.07 0.08 -0.04 2.02 2.19 1zc6A1 PRO 226 HG2 0.04 0.06 0.07 -0.04 2.03 2.17 1zc6A1 PRO 226 HG3 0.05 0.11 0.01 -0.04 2.03 2.15 1zc6A1 PRO 226 HD2 0.05 0.05 0.23 -0.04 3.68 3.97 1zc6A1 PRO 226 HD3 0.05 0.35 0.20 -0.04 3.65 4.20 1zc6A1 GLU 227 H 0.04 0.10 -0.25 -0.55 8.60 7.94 1zc6A1 GLU 227 HA 0.04 0.13 0.41 -0.75 4.29 4.12 1zc6A1 GLU 227 HB2 -0.00 -0.13 0.07 -0.04 2.09 1.98 1zc6A1 GLU 227 HB3 -0.01 0.07 -0.01 -0.04 1.99 2.00 1zc6A1 GLU 227 HG2 0.07 -0.04 0.06 -0.04 2.34 2.39 1zc6A1 GLU 227 HG3 0.07 0.02 0.02 -0.04 2.34 2.40 1zc6A1 ALA 228 H -0.00 0.09 -0.13 -0.55 8.40 7.81 1zc6A1 ALA 228 HA -0.06 0.01 0.38 -0.75 4.34 3.92 1zc6A1 ALA 228 HB3 -0.05 0.07 -0.01 -0.04 1.41 1.38 1zc6A1 ASP 229 H 0.05 0.49 -0.15 -0.55 8.40 8.24 1zc6A1 ASP 229 HA 0.06 0.03 0.41 -0.75 4.63 4.37 1zc6A1 ASP 229 HB2 0.22 0.28 0.13 -0.04 2.71 3.30 1zc6A1 ASP 229 HB3 0.14 0.01 0.12 -0.04 2.70 2.92 1zc6A1 ALA 230 H 0.06 0.42 -0.38 -0.55 8.40 7.96 1zc6A1 ALA 230 HA 0.11 0.04 0.45 -0.75 4.34 4.19 1zc6A1 ALA 230 HB3 0.07 0.05 0.14 -0.04 1.41 1.63 1zc6A1 LEU 231 H 0.03 0.44 -0.07 -0.55 8.37 8.22 1zc6A1 LEU 231 HA 0.23 0.01 0.43 -0.75 4.35 4.27 1zc6A1 LEU 231 HB2 -0.01 0.13 0.15 -0.04 1.64 1.87 1zc6A1 LEU 231 HB3 0.14 -0.08 -0.00 -0.04 1.64 1.65 1zc6A1 LEU 231 HG -0.02 0.18 0.01 -0.04 1.64 1.77 1zc6A1 LEU 231 HD13 -0.12 -0.01 -0.09 -0.04 0.93 0.67 1zc6A1 LEU 231 HD23 -0.13 -0.01 -0.03 -0.04 0.89 0.67 1zc6A1 LEU 232 H -0.13 0.61 -0.10 -0.55 8.37 8.20 1zc6A1 LEU 232 HA -0.13 -0.05 0.36 -0.75 4.35 3.77 1zc6A1 LEU 232 HB2 -1.00 0.15 0.11 -0.04 1.64 0.87 1zc6A1 LEU 232 HB3 -0.99 -0.01 -0.01 -0.04 1.64 0.59 1zc6A1 LEU 232 HG -0.44 0.21 -0.01 -0.04 1.64 1.36 1zc6A1 LEU 232 HD13 -1.48 0.00 -0.09 -0.04 0.93 -0.67 1zc6A1 LEU 232 HD23 -0.30 -0.04 -0.12 -0.04 0.89 0.38 1zc6A1 ARG 233 H 0.08 0.53 -0.23 -0.55 8.46 8.29 1zc6A1 ARG 233 HA 0.27 0.20 0.49 -0.75 4.34 4.54 1zc6A1 ARG 233 HB2 0.33 0.08 0.16 -0.04 1.90 2.43 1zc6A1 ARG 233 HB3 0.16 0.07 0.17 -0.04 1.80 2.16 1zc6A1 ARG 233 HG2 0.14 -0.04 0.00 -0.04 1.67 1.73 1zc6A1 ARG 233 HG3 0.14 -0.09 -0.10 -0.04 1.67 1.58 1zc6A1 ARG 233 HD2 0.21 0.27 0.16 -0.04 3.22 3.83 1zc6A1 ARG 233 HD3 0.16 -0.01 0.03 -0.04 3.22 3.36 1zc6A1 GLN 234 H 0.12 0.54 -0.20 -0.55 8.47 8.38 1zc6A1 GLN 234 HA 0.06 0.00 0.44 -0.75 4.36 4.11 1zc6A1 GLN 234 HB2 0.18 0.10 0.15 -0.04 2.15 2.54 1zc6A1 GLN 234 HB3 0.26 0.09 0.18 -0.04 2.02 2.52 1zc6A1 GLN 234 HG2 0.37 -0.02 -0.01 -0.04 2.40 2.71 1zc6A1 GLN 234 HG3 -0.13 -0.11 -0.11 -0.04 2.39 2.00 1zc6A1 GLN 234 HE21 0.02 0.03 0.00 -0.04 6.97 6.98 1zc6A1 GLN 234 HE22 -0.05 -0.09 0.02 -0.04 7.69 7.52 1zc6A1 ALA 235 H 0.00 0.66 -0.12 -0.55 8.40 8.40 1zc6A1 ALA 235 HA -0.38 -0.16 0.42 -0.75 4.34 3.47 1zc6A1 ALA 235 HB3 -0.04 0.06 0.10 -0.04 1.41 1.48 1zc6A1 GLY 236 H 0.07 0.62 -0.17 -0.55 8.43 8.40 1zc6A1 GLY 236 HA2 0.12 -0.05 0.32 -0.51 4.01 3.89 1zc6A1 GLY 236 HA3 0.14 0.27 0.26 -0.51 4.01 4.17 1zc6A1 GLU 237 H 0.06 0.52 -0.22 -0.55 8.60 8.42 1zc6A1 GLU 237 HA 0.21 0.01 0.51 -0.75 4.29 4.27 1zc6A1 GLU 237 HB2 0.03 0.09 0.18 -0.04 2.09 2.35 1zc6A1 GLU 237 HB3 0.07 -0.08 0.05 -0.04 1.99 1.99 1zc6A1 GLU 237 HG2 0.17 -0.07 0.04 -0.04 2.34 2.44 1zc6A1 GLU 237 HG3 0.11 0.43 0.13 -0.04 2.34 2.98 1zc6A1 ASP 238 H -0.08 0.69 -0.03 -0.55 8.40 8.44 1zc6A1 ASP 238 HA -0.09 0.00 0.39 -0.75 4.63 4.17 1zc6A1 ASP 238 HB2 -0.28 0.12 0.09 -0.04 2.71 2.60 1zc6A1 ASP 238 HB3 -0.21 -0.13 -0.09 -0.04 2.70 2.22 1zc6A1 ALA 239 H -0.02 0.63 -0.26 -0.55 8.40 8.21 1zc6A1 ALA 239 HA 0.01 -0.07 0.31 -0.75 4.34 3.84 1zc6A1 ALA 239 HB3 0.15 0.05 0.03 -0.04 1.41 1.60 1zc6A1 TRP 240 H 0.02 0.53 -0.12 -0.55 7.97 7.85 1zc6A1 TRP 240 HA -1.42 0.02 0.37 -0.75 4.62 2.84 1zc6A1 TRP 240 HB2 -0.46 0.08 0.18 -0.04 3.23 3.00 1zc6A1 TRP 240 HB3 -0.27 0.11 0.15 -0.04 3.23 3.18 1zc6A1 TRP 240 HD1 -0.77 -0.03 0.05 -0.04 7.22 6.42 1zc6A1 TRP 240 HE1 -0.02 0.07 -0.07 -0.04 10.20 10.14 1zc6A1 TRP 240 HE3 -0.06 0.04 0.03 -0.04 7.59 7.57 1zc6A1 TRP 240 HZ2 0.02 0.06 -0.08 -0.04 7.44 7.39 1zc6A1 TRP 240 HZ3 -0.00 0.00 -0.00 -0.04 7.13 7.09 1zc6A1 TRP 240 HH2 0.01 0.00 -0.03 -0.04 7.19 7.13 1zc6A1 ALA 241 H -0.06 0.58 -0.24 -0.55 8.40 8.13 1zc6A1 ALA 241 HA -0.27 0.01 0.35 -0.75 4.34 3.68 1zc6A1 ALA 241 HB3 -0.11 0.03 0.08 -0.04 1.41 1.37 1zc6A1 ILE 242 H -0.06 0.58 -0.20 -0.55 8.25 8.02 1zc6A1 ILE 242 HA -0.01 -0.08 0.29 -0.75 4.18 3.63 1zc6A1 ILE 242 HB 0.01 0.26 0.13 -0.04 1.89 2.25 1zc6A1 ILE 242 HG12 -0.03 0.42 0.03 -0.04 1.49 1.87 1zc6A1 ILE 242 HG13 -0.00 -0.10 -0.11 -0.04 1.21 0.96 1zc6A1 ILE 242 HG23 0.02 -0.04 -0.24 -0.04 0.93 0.63 1zc6A1 ILE 242 HD13 0.02 -0.05 -0.11 -0.04 0.88 0.69 1zc6A1 ALA 243 H -0.03 0.53 -0.17 -0.55 8.40 8.17 1zc6A1 ALA 243 HA 0.06 -0.02 0.29 -0.75 4.34 3.93 1zc6A1 ALA 243 HB3 0.14 0.03 -0.01 -0.04 1.41 1.53 1zc6A1 ARG 244 H -0.11 0.59 -0.20 -0.55 8.46 8.18 1zc6A1 ARG 244 HA -0.02 0.10 0.25 -0.75 4.34 3.91 1zc6A1 ARG 244 HB2 -0.27 0.06 0.08 -0.04 1.90 1.73 1zc6A1 ARG 244 HB3 -0.20 -0.05 -0.04 -0.04 1.80 1.47 1zc6A1 ARG 244 HG2 -0.29 0.07 -0.02 -0.04 1.67 1.39 1zc6A1 ARG 244 HG3 -0.84 -0.08 -0.07 -0.04 1.67 0.64 1zc6A1 ARG 244 HD2 -0.04 0.05 -0.02 -0.04 3.22 3.16 1zc6A1 ARG 244 HD3 0.09 -0.02 -0.06 -0.04 3.22 3.19 1zc6A1 ALA 245 H -0.05 0.47 -0.28 -0.55 8.40 7.99 1zc6A1 ALA 245 HA -0.03 0.02 0.39 -0.75 4.34 3.96 1zc6A1 ALA 245 HB3 -0.00 0.01 0.07 -0.04 1.41 1.44 1zc6A1 LEU 246 H 0.03 0.31 -0.43 -0.55 8.37 7.73 1zc6A1 LEU 246 HA 0.10 0.05 0.46 -0.75 4.35 4.22 1zc6A1 LEU 246 HB2 0.04 0.16 -0.04 -0.04 1.64 1.76 1zc6A1 LEU 246 HB3 0.06 -0.07 -0.11 -0.04 1.64 1.48 1zc6A1 LEU 246 HG 0.03 0.06 -0.17 -0.04 1.64 1.52 1zc6A1 LEU 246 HD13 0.01 -0.03 -0.33 -0.04 0.93 0.54 1zc6A1 LEU 246 HD23 0.03 -0.04 -0.39 -0.04 0.89 0.45 1zc6A1 ASP 247 H 0.05 0.32 -0.40 -0.55 8.40 7.82 1zc6A1 ASP 247 HA 0.11 0.08 0.59 -0.75 4.63 4.65 1zc6A1 ASP 247 HB2 0.08 0.10 -0.29 -0.04 2.71 2.56 1zc6A1 ASP 247 HB3 0.07 0.11 0.03 -0.04 2.70 2.88 1zc6A1 PRO 248 HA -0.02 0.11 0.44 -0.51 4.44 4.46 1zc6A1 PRO 248 HB2 -0.00 -0.05 0.01 -0.04 2.28 2.20 1zc6A1 PRO 248 HB3 -0.03 -0.01 0.07 -0.04 2.02 2.01 1zc6A1 PRO 248 HG2 -0.01 -0.02 0.02 -0.04 2.03 1.98 1zc6A1 PRO 248 HG3 -0.01 0.16 0.07 -0.04 2.03 2.20 1zc6A1 PRO 248 HD2 0.03 0.01 0.03 -0.04 3.68 3.70 1zc6A1 PRO 248 HD3 0.04 0.21 -0.36 -0.04 3.65 3.50 1zc6A1 GLN 249 H 0.03 0.05 -0.34 -0.55 8.47 7.66 1zc6A1 GLN 249 HA 0.02 0.22 0.75 -0.75 4.36 4.60 1zc6A1 GLN 249 HB2 0.03 -0.03 -0.06 -0.04 2.15 2.05 1zc6A1 GLN 249 HB3 0.02 0.04 0.09 -0.04 2.02 2.12 1zc6A1 GLN 249 HG2 0.01 -0.04 -0.06 -0.04 2.40 2.27 1zc6A1 GLN 249 HG3 0.01 0.00 -0.04 -0.04 2.39 2.33 1zc6A1 GLN 249 HE21 0.00 -0.00 -0.06 -0.04 6.97 6.86 1zc6A1 GLN 249 HE22 0.01 0.01 -0.02 -0.04 7.69 7.65 1zc6A1 ASP 250 H 0.06 0.58 -0.29 -0.55 8.40 8.20 1zc6A1 ASP 250 HA 0.08 0.05 0.29 -0.75 4.63 4.30 1zc6A1 ASP 250 HB2 0.08 0.10 -0.04 -0.04 2.71 2.80 1zc6A1 ASP 250 HB3 0.10 0.02 0.12 -0.04 2.70 2.90 1zc6A1 GLU 251 H 0.05 -0.03 -0.14 -0.55 8.60 7.94 1zc6A1 GLU 251 HA 0.03 0.26 0.81 -0.75 4.29 4.63 1zc6A1 GLU 251 HB2 0.05 -0.06 -0.03 -0.04 2.09 2.00 1zc6A1 GLU 251 HB3 0.03 -0.00 0.05 -0.04 1.99 2.03 1zc6A1 GLU 251 HG2 0.03 0.10 -0.12 -0.04 2.34 2.30 1zc6A1 GLU 251 HG3 0.04 -0.09 -0.36 -0.04 2.34 1.89 1zc6A1 LEU 252 H 0.02 -0.02 -0.07 -0.55 8.37 7.75 1zc6A1 LEU 252 HA -0.05 0.27 0.89 -0.75 4.35 4.71 1zc6A1 LEU 252 HB2 -0.05 -0.05 -0.05 -0.04 1.64 1.45 1zc6A1 LEU 252 HB3 -0.14 0.09 -0.01 -0.04 1.64 1.53 1zc6A1 LEU 252 HG 0.03 -0.17 -0.19 -0.04 1.64 1.28 1zc6A1 LEU 252 HD13 -0.14 0.00 -0.11 -0.04 0.93 0.63 1zc6A1 LEU 252 HD23 -0.03 0.03 -0.10 -0.04 0.89 0.75 1zc6A1 PRO 253 HA -0.03 0.11 0.43 -0.51 4.44 4.44 1zc6A1 PRO 253 HB2 -0.43 -0.00 0.04 -0.04 2.28 1.85 1zc6A1 PRO 253 HB3 -0.04 0.04 0.08 -0.04 2.02 2.07 1zc6A1 PRO 253 HG2 -0.13 0.12 0.11 -0.04 2.03 2.08 1zc6A1 PRO 253 HG3 -0.06 0.03 0.07 -0.04 2.03 2.03 1zc6A1 PRO 253 HD2 -0.23 0.17 0.18 -0.04 3.68 3.76 1zc6A1 PRO 253 HD3 -0.09 0.14 0.22 -0.04 3.65 3.88 1zc6A1 VAL 254 H 0.04 0.29 0.21 -0.55 8.24 8.22 1zc6A1 VAL 254 HA 0.12 0.32 1.05 -0.75 4.13 4.87 1zc6A1 VAL 254 HB 0.04 -0.00 -0.08 -0.04 2.12 2.04 1zc6A1 VAL 254 HG13 0.22 -0.03 -0.19 -0.04 0.97 0.92 1zc6A1 VAL 254 HG23 0.12 0.02 -0.24 -0.04 0.95 0.81 1zc6A1 ALA 255 H 0.13 0.43 0.32 -0.55 8.40 8.74 1zc6A1 ALA 255 HA -0.05 0.33 1.03 -0.75 4.34 4.90 1zc6A1 ALA 255 HB3 -0.11 -0.00 -0.13 -0.04 1.41 1.12 1zc6A1 LEU 256 H -0.08 0.32 0.18 -0.55 8.37 8.24 1zc6A1 LEU 256 HA 0.02 0.14 0.94 -0.75 4.35 4.70 1zc6A1 LEU 256 HB2 -0.13 0.03 0.06 -0.04 1.64 1.56 1zc6A1 LEU 256 HB3 -0.05 0.01 0.09 -0.04 1.64 1.65 1zc6A1 LEU 256 HG 0.09 -0.03 -0.01 -0.04 1.64 1.65 1zc6A1 LEU 256 HD13 0.01 0.04 -0.03 -0.04 0.93 0.91 1zc6A1 LEU 256 HD23 0.05 0.02 0.04 -0.04 0.89 0.96 1zc6A1 CYS 257 H 0.01 0.59 0.39 -0.55 8.50 8.94 1zc6A1 CYS 257 HA -0.02 0.28 0.99 -0.75 4.58 5.07 1zc6A1 CYS 257 HB2 -0.01 -0.13 -0.02 -0.04 2.97 2.77 1zc6A1 CYS 257 HB3 -0.03 -0.09 0.08 -0.04 2.97 2.89 1zc6A1 GLY 258 H -0.01 0.16 0.12 -0.55 8.43 8.15 1zc6A1 GLY 258 HA2 0.00 -0.05 0.43 -0.51 4.01 3.88 1zc6A1 GLY 258 HA3 0.01 0.32 0.91 -0.51 4.01 4.74 1zc6A1 GLY 259 H 0.01 0.11 0.22 -0.55 8.43 8.23 1zc6A1 GLY 259 HA2 0.01 0.15 0.44 -0.51 4.01 4.11 1zc6A1 GLY 259 HA3 0.01 0.07 0.36 -0.51 4.01 3.94 1zc6A1 LEU 260 H 0.02 0.13 -0.04 -0.55 8.37 7.93 1zc6A1 LEU 260 HA 0.02 0.08 0.35 -0.75 4.35 4.05 1zc6A1 LEU 260 HB2 0.03 -0.09 -0.04 -0.04 1.64 1.50 1zc6A1 LEU 260 HB3 0.03 0.08 -0.15 -0.04 1.64 1.56 1zc6A1 LEU 260 HG 0.02 -0.05 -0.08 -0.04 1.64 1.50 1zc6A1 LEU 260 HD13 0.05 0.05 -0.22 -0.04 0.93 0.76 1zc6A1 LEU 260 HD23 0.01 0.01 -0.08 -0.04 0.89 0.79 1zc6A1 GLY 261 H 0.02 0.12 -0.36 -0.55 8.43 7.66 1zc6A1 GLY 261 HA2 0.04 0.02 0.27 -0.51 4.01 3.83 1zc6A1 GLY 261 HA3 0.02 0.14 0.07 -0.51 4.01 3.73 1zc6A1 GLN 262 H 0.02 0.29 -0.38 -0.55 8.47 7.85 1zc6A1 GLN 262 HA 0.01 0.11 0.47 -0.75 4.36 4.20 1zc6A1 GLN 262 HB2 0.00 0.00 0.07 -0.04 2.15 2.18 1zc6A1 GLN 262 HB3 0.02 0.06 0.10 -0.04 2.02 2.16 1zc6A1 GLN 262 HG2 0.02 -0.01 -0.09 -0.04 2.40 2.28 1zc6A1 GLN 262 HG3 0.00 0.03 0.05 -0.04 2.39 2.43 1zc6A1 GLN 262 HE21 0.01 -0.02 -0.02 -0.04 6.97 6.90 1zc6A1 GLN 262 HE22 0.02 0.00 -0.05 -0.04 7.69 7.62 1zc6A1 ALA 263 H 0.04 0.33 -0.18 -0.55 8.40 8.05 1zc6A1 ALA 263 HA 0.09 0.07 0.48 -0.75 4.34 4.23 1zc6A1 ALA 263 HB3 0.04 -0.01 0.08 -0.04 1.41 1.48 1zc6A1 LEU 264 H 0.09 0.39 -0.38 -0.55 8.37 7.92 1zc6A1 LEU 264 HA 0.31 0.07 0.51 -0.75 4.35 4.49 1zc6A1 LEU 264 HB2 0.09 0.16 0.00 -0.04 1.64 1.85 1zc6A1 LEU 264 HB3 0.16 -0.05 -0.04 -0.04 1.64 1.67 1zc6A1 LEU 264 HG 0.02 0.01 -0.10 -0.04 1.64 1.53 1zc6A1 LEU 264 HD13 0.05 -0.02 -0.15 -0.04 0.93 0.76 1zc6A1 LEU 264 HD23 -0.02 0.00 -0.03 -0.04 0.89 0.81 1zc6A1 ARG 265 H 0.12 0.34 -0.47 -0.55 8.46 7.89 1zc6A1 ARG 265 HA 0.03 0.04 0.29 -0.75 4.34 3.95 1zc6A1 ARG 265 HB2 0.01 0.09 0.12 -0.04 1.90 2.09 1zc6A1 ARG 265 HB3 0.04 -0.02 0.07 -0.04 1.80 1.85 1zc6A1 ARG 265 HG2 -0.05 -0.01 -0.30 -0.04 1.67 1.27 1zc6A1 ARG 265 HG3 -0.04 -0.00 -0.03 -0.04 1.67 1.55 1zc6A1 ARG 265 HD2 -0.02 -0.00 -0.00 -0.04 3.22 3.15 1zc6A1 ARG 265 HD3 -0.04 -0.02 -0.05 -0.04 3.22 3.07 1zc6A1 ASP 266 H 0.03 0.15 -0.20 -0.55 8.40 7.83 1zc6A1 ASP 266 HA -0.20 0.11 0.42 -0.75 4.63 4.21 1zc6A1 ASP 266 HB2 -1.02 0.01 -0.01 -0.04 2.71 1.65 1zc6A1 ASP 266 HB3 -0.64 0.00 0.08 -0.04 2.70 2.10 1zc6A1 TRP 267 H 0.34 0.53 -0.33 -0.55 7.97 7.96 1zc6A1 TRP 267 HA 0.01 0.15 0.77 -0.75 4.62 4.80 1zc6A1 TRP 267 HB2 0.02 0.07 -0.02 -0.04 3.23 3.27 1zc6A1 TRP 267 HB3 0.03 -0.06 -0.19 -0.04 3.23 2.97 1zc6A1 TRP 267 HD1 0.03 0.02 0.02 -0.04 7.22 7.25 1zc6A1 TRP 267 HE1 0.02 -0.02 -0.01 -0.04 10.20 10.16 1zc6A1 TRP 267 HE3 0.01 0.03 -0.06 -0.04 7.59 7.54 1zc6A1 TRP 267 HZ2 0.01 -0.01 -0.15 -0.04 7.44 7.25 1zc6A1 TRP 267 HZ3 0.01 0.12 0.03 -0.04 7.13 7.25 1zc6A1 TRP 267 HH2 0.01 0.03 -0.02 -0.04 7.19 7.16 1zc6A1 LEU 268 H 0.09 0.36 -0.22 -0.55 8.37 8.05 1zc6A1 LEU 268 HA 0.13 -0.00 0.47 -0.75 4.35 4.20 1zc6A1 LEU 268 HB2 0.01 0.33 0.12 -0.04 1.64 2.06 1zc6A1 LEU 268 HB3 -0.01 -0.05 -0.15 -0.04 1.64 1.39 1zc6A1 LEU 268 HG 0.15 -0.05 -0.04 -0.04 1.64 1.66 1zc6A1 LEU 268 HD13 0.15 0.01 -0.12 -0.04 0.93 0.93 1zc6A1 LEU 268 HD23 -0.05 -0.01 -0.07 -0.04 0.89 0.72 1zc6A1 PRO 269 HA -0.06 0.17 0.46 -0.51 4.44 4.49 1zc6A1 PRO 269 HB2 -0.90 -0.16 0.13 -0.04 2.28 1.31 1zc6A1 PRO 269 HB3 -0.22 0.05 0.10 -0.04 2.02 1.90 1zc6A1 PRO 269 HG2 0.26 0.02 0.04 -0.04 2.03 2.31 1zc6A1 PRO 269 HG3 0.14 0.09 -0.01 -0.04 2.03 2.21 1zc6A1 PRO 269 HD2 0.09 0.04 0.18 -0.04 3.68 3.94 1zc6A1 PRO 269 HD3 0.12 0.11 0.08 -0.04 3.65 3.92 1zc6A1 PRO 270 HA -0.12 0.11 0.36 -0.51 4.44 4.28 1zc6A1 PRO 270 HB2 -0.08 -0.04 0.07 -0.04 2.28 2.19 1zc6A1 PRO 270 HB3 -0.07 0.05 0.06 -0.04 2.02 2.02 1zc6A1 PRO 270 HG2 -0.05 0.01 0.09 -0.04 2.03 2.04 1zc6A1 PRO 270 HG3 -0.07 0.12 0.11 -0.04 2.03 2.15 1zc6A1 PRO 270 HD2 -0.06 0.02 0.21 -0.04 3.68 3.81 1zc6A1 PRO 270 HD3 -0.05 0.32 0.26 -0.04 3.65 4.13 1zc6A1 GLY 271 H -0.25 0.09 -0.26 -0.55 8.43 7.46 1zc6A1 GLY 271 HA2 -0.10 0.10 0.37 -0.51 4.01 3.87 1zc6A1 GLY 271 HA3 -0.16 0.04 0.24 -0.51 4.01 3.61 1zc6A1 PHE 272 H -0.60 0.19 -0.20 -0.55 8.34 7.18 1zc6A1 PHE 272 HA -0.40 0.09 0.44 -0.75 4.62 3.99 1zc6A1 PHE 272 HB2 -1.90 -0.07 0.09 -0.04 3.15 1.24 1zc6A1 PHE 272 HB3 -0.62 0.13 0.13 -0.04 3.06 2.66 1zc6A1 PHE 272 HD2 -0.13 0.03 -0.02 -0.04 7.28 7.13 1zc6A1 PHE 272 HE2 0.06 -0.01 -0.15 -0.04 7.38 7.24 1zc6A1 PHE 272 HZ 0.07 -0.03 -0.20 -0.04 7.32 7.12 1zc6A1 ARG 273 H -0.21 0.50 -0.12 -0.55 8.46 8.08 1zc6A1 ARG 273 HA -0.33 -0.00 0.30 -0.75 4.34 3.56 1zc6A1 ARG 273 HB2 -0.14 -0.01 -0.08 -0.04 1.90 1.63 1zc6A1 ARG 273 HB3 -0.14 0.07 0.00 -0.04 1.80 1.70 1zc6A1 ARG 273 HG2 -0.12 0.02 -0.21 -0.04 1.67 1.33 1zc6A1 ARG 273 HG3 -0.13 -0.05 -0.00 -0.04 1.67 1.45 1zc6A1 ARG 273 HD2 -0.08 -0.08 -0.08 -0.04 3.22 2.93 1zc6A1 ARG 273 HD3 -0.09 0.17 -0.04 -0.04 3.22 3.22 1zc6A1 GLN 274 H -0.14 0.46 -0.29 -0.55 8.47 7.96 1zc6A1 GLN 274 HA -0.09 0.03 0.41 -0.75 4.36 3.96 1zc6A1 GLN 274 HB2 -0.07 0.01 0.09 -0.04 2.15 2.14 1zc6A1 GLN 274 HB3 -0.06 0.06 0.05 -0.04 2.02 2.02 1zc6A1 GLN 274 HG2 -0.04 0.04 -0.11 -0.04 2.40 2.26 1zc6A1 GLN 274 HG3 -0.05 -0.03 0.06 -0.04 2.39 2.33 1zc6A1 GLN 274 HE21 -0.02 -0.06 -0.02 -0.04 6.97 6.84 1zc6A1 GLN 274 HE22 -0.02 0.02 -0.03 -0.04 7.69 7.63 1zc6A1 ARG 275 H -0.11 0.27 -0.35 -0.55 8.46 7.72 1zc6A1 ARG 275 HA -0.03 0.02 0.48 -0.75 4.34 4.06 1zc6A1 ARG 275 HB2 0.02 0.03 0.14 -0.04 1.90 2.05 1zc6A1 ARG 275 HB3 -0.00 0.05 0.09 -0.04 1.80 1.90 1zc6A1 ARG 275 HG2 0.04 -0.03 -0.03 -0.04 1.67 1.61 1zc6A1 ARG 275 HG3 0.03 -0.02 0.07 -0.04 1.67 1.71 1zc6A1 ARG 275 HD2 0.09 0.05 -0.01 -0.04 3.22 3.31 1zc6A1 ARG 275 HD3 0.11 -0.03 -0.00 -0.04 3.22 3.26 1zc6A1 LEU 276 H -0.21 0.20 -0.41 -0.55 8.37 7.41 1zc6A1 LEU 276 HA -0.17 0.02 0.39 -0.75 4.35 3.84 1zc6A1 LEU 276 HB2 -0.30 0.14 0.17 -0.04 1.64 1.60 1zc6A1 LEU 276 HB3 -0.18 -0.05 -0.05 -0.04 1.64 1.32 1zc6A1 LEU 276 HG -0.22 -0.06 0.02 -0.04 1.64 1.33 1zc6A1 LEU 276 HD13 -0.66 0.02 -0.21 -0.04 0.93 0.03 1zc6A1 LEU 276 HD23 -0.37 -0.04 -0.07 -0.04 0.89 0.36 1zc6A1 VAL 277 H -0.05 0.68 0.49 -0.55 8.24 8.80 1zc6A1 VAL 277 HA -0.04 0.11 0.84 -0.75 4.13 4.29 1zc6A1 VAL 277 HB 0.01 0.03 0.06 -0.04 2.12 2.17 1zc6A1 VAL 277 HG13 0.09 0.06 -0.24 -0.04 0.97 0.84 1zc6A1 VAL 277 HG23 0.00 -0.01 0.09 -0.04 0.95 0.99 1zc6A1 ALA 278 H -0.04 0.11 0.12 -0.55 8.40 8.04 1zc6A1 ALA 278 HA -0.06 0.11 0.73 -0.75 4.34 4.37 1zc6A1 ALA 278 HB3 -0.04 0.00 0.04 -0.04 1.41 1.37 1zc6A1 PRO 279 HA -0.19 0.13 0.50 -0.51 4.44 4.37 1zc6A1 PRO 279 HB2 -0.08 -0.03 -0.08 -0.04 2.28 2.05 1zc6A1 PRO 279 HB3 -0.12 -0.00 0.01 -0.04 2.02 1.87 1zc6A1 PRO 279 HG2 -0.06 -0.09 0.03 -0.04 2.03 1.87 1zc6A1 PRO 279 HG3 -0.09 0.00 -0.07 -0.04 2.03 1.83 1zc6A1 PRO 279 HD2 -0.06 0.06 0.16 -0.04 3.68 3.80 1zc6A1 PRO 279 HD3 -0.07 0.16 0.27 -0.04 3.65 3.97 1zc6A1 GLN 280 H -0.13 0.79 0.41 -0.55 8.47 8.99 1zc6A1 GLN 280 HA -0.04 -0.00 0.42 -0.75 4.36 3.98 1zc6A1 GLN 280 HB2 -0.06 0.09 0.08 -0.04 2.15 2.22 1zc6A1 GLN 280 HB3 -0.04 -0.09 -0.04 -0.04 2.02 1.81 1zc6A1 GLN 280 HG2 -0.02 -0.08 0.04 -0.04 2.40 2.30 1zc6A1 GLN 280 HG3 -0.03 0.14 0.12 -0.04 2.39 2.58 1zc6A1 GLN 280 HE21 0.02 0.05 -0.15 -0.04 6.97 6.85 1zc6A1 GLN 280 HE22 0.04 0.04 -0.01 -0.04 7.69 7.73 1zc6A1 GLY 281 H -0.08 0.57 -0.09 -0.55 8.43 8.29 1zc6A1 GLY 281 HA2 -0.04 0.15 0.77 -0.51 4.01 4.39 1zc6A1 GLY 281 HA3 -0.04 -0.01 0.21 -0.51 4.01 3.66 1zc6A1 ASP 282 H -0.03 0.10 0.04 -0.55 8.40 7.97 1zc6A1 ASP 282 HA -0.04 0.21 0.49 -0.75 4.63 4.53 1zc6A1 ASP 282 HB2 -0.02 -0.16 0.15 -0.04 2.71 2.63 1zc6A1 ASP 282 HB3 -0.02 0.15 0.04 -0.04 2.70 2.83 1zc6A1 SER 283 H -0.03 0.13 0.08 -0.55 8.46 8.10 1zc6A1 SER 283 HA -0.04 0.23 0.06 -0.75 4.49 3.99 1zc6A1 SER 283 HB2 -0.03 0.02 0.05 -0.04 3.95 3.95 1zc6A1 SER 283 HB3 -0.02 -0.03 0.06 -0.04 3.93 3.90 1zc6A1 ALA 284 H -0.02 0.09 -0.19 -0.55 8.40 7.74 1zc6A1 ALA 284 HA -0.01 0.10 0.10 -0.75 4.34 3.77 1zc6A1 ALA 284 HB3 -0.00 0.04 -0.13 -0.04 1.41 1.28 1zc6A1 GLN 285 H -0.01 0.03 -0.44 -0.55 8.47 7.50 1zc6A1 GLN 285 HA 0.00 0.11 0.34 -0.75 4.36 4.06 1zc6A1 GLN 285 HB2 -0.02 -0.02 -0.02 -0.04 2.15 2.05 1zc6A1 GLN 285 HB3 -0.03 0.11 -0.07 -0.04 2.02 1.99 1zc6A1 GLN 285 HG2 0.01 0.10 -0.02 -0.04 2.40 2.45 1zc6A1 GLN 285 HG3 0.02 -0.09 -0.05 -0.04 2.39 2.22 1zc6A1 GLN 285 HE21 -0.00 0.09 0.02 -0.04 6.97 7.03 1zc6A1 GLN 285 HE22 0.01 0.05 -0.02 -0.04 7.69 7.69 1zc6A1 GLY 286 H -0.03 0.26 -0.48 -0.55 8.43 7.63 1zc6A1 GLY 286 HA2 -0.05 0.09 0.28 -0.51 4.01 3.82 1zc6A1 GLY 286 HA3 -0.06 0.21 0.27 -0.51 4.01 3.92 1zc6A1 ALA 287 H -0.02 0.37 -0.33 -0.55 8.40 7.88 1zc6A1 ALA 287 HA 0.00 -0.03 0.25 -0.75 4.34 3.81 1zc6A1 ALA 287 HB3 -0.01 0.09 0.05 -0.04 1.41 1.50 1zc6A1 LEU 288 H -0.00 0.34 -0.28 -0.55 8.37 7.88 1zc6A1 LEU 288 HA 0.01 0.07 0.26 -0.75 4.35 3.93 1zc6A1 LEU 288 HB2 -0.02 0.13 0.03 -0.04 1.64 1.74 1zc6A1 LEU 288 HB3 -0.03 0.03 -0.15 -0.04 1.64 1.44 1zc6A1 LEU 288 HG 0.04 -0.03 -0.04 -0.04 1.64 1.56 1zc6A1 LEU 288 HD13 0.05 -0.01 -0.12 -0.04 0.93 0.82 1zc6A1 LEU 288 HD23 0.07 0.05 -0.37 -0.04 0.89 0.60 1zc6A1 LEU 289 H -0.02 0.30 -0.36 -0.55 8.37 7.74 1zc6A1 LEU 289 HA -0.01 0.03 0.22 -0.75 4.35 3.83 1zc6A1 LEU 289 HB2 -0.03 0.06 -0.01 -0.04 1.64 1.62 1zc6A1 LEU 289 HB3 -0.02 -0.00 -0.11 -0.04 1.64 1.47 1zc6A1 LEU 289 HG -0.03 0.10 -0.03 -0.04 1.64 1.63 1zc6A1 LEU 289 HD13 -0.04 -0.03 -0.26 -0.04 0.93 0.56 1zc6A1 LEU 289 HD23 -0.03 0.00 -0.10 -0.04 0.89 0.72 1zc6A1 LEU 290 H 0.01 0.31 -0.59 -0.55 8.37 7.55 1zc6A1 LEU 290 HA 0.07 -0.01 0.28 -0.75 4.35 3.93 1zc6A1 LEU 290 HB2 0.05 -0.04 0.04 -0.04 1.64 1.65 1zc6A1 LEU 290 HB3 0.03 0.26 0.08 -0.04 1.64 1.97 1zc6A1 LEU 290 HG 0.05 -0.00 -0.20 -0.04 1.64 1.44 1zc6A1 LEU 290 HD13 0.18 -0.02 -0.08 -0.04 0.93 0.97 1zc6A1 LEU 290 HD23 0.04 -0.07 -0.22 -0.04 0.89 0.60 1zc6A1 LEU 291 H 0.02 0.38 -0.40 -0.55 8.37 7.82 1zc6A1 LEU 291 HA 0.03 0.10 0.59 -0.75 4.35 4.31 1zc6A1 LEU 291 HB2 0.03 -0.05 0.05 -0.04 1.64 1.62 1zc6A1 LEU 291 HB3 0.02 -0.09 -0.14 -0.04 1.64 1.39 1zc6A1 LEU 291 HG 0.02 0.17 0.04 -0.04 1.64 1.82 1zc6A1 LEU 291 HD13 0.02 -0.02 -0.19 -0.04 0.93 0.70 1zc6A1 LEU 291 HD23 0.02 -0.06 -0.31 -0.04 0.89 0.51 1zc6A1 GLN 292 H 0.02 0.50 -0.73 -0.55 8.47 7.72 1zc6A1 GLN 292 HA 0.01 0.12 0.50 -0.75 4.36 4.24 1zc6A1 GLN 292 HB2 0.00 0.08 -0.05 -0.04 2.15 2.14 1zc6A1 GLN 292 HB3 0.00 -0.06 -0.01 -0.04 2.02 1.92 1zc6A1 GLN 292 HG2 0.01 0.03 -0.10 -0.04 2.40 2.30 1zc6A1 GLN 292 HG3 0.01 0.05 -0.60 -0.04 2.39 1.80 1zc6A1 GLN 292 HE21 -0.04 -0.05 -0.19 -0.04 6.97 6.64 1zc6A1 GLN 292 HE22 -0.02 0.08 -0.27 -0.04 7.69 7.44