============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. PHE 6 1.000 52.305 39.430 18.465 -99.200 -91.000 HIS 13 0.900 55.938 30.900 8.742 -99.200 -91.000 TYR 14 0.840 61.559 39.078 5.084 -99.200 -91.000 TYR 18 0.840 60.064 37.810 1.594 -99.200 -91.000 PHE 19 1.000 66.788 37.563 4.986 -99.200 -91.000 HIS 27 0.900 65.911 40.752 -0.074 -99.200 -91.000 TYR 46 0.840 71.186 59.330 -11.484 -99.200 -91.000 HIS 52 0.900 83.743 68.685 -6.551 -99.200 -91.000 PHE 71 1.000 72.077 68.162 17.246 -99.200 -91.000 PHE 76 1.000 59.762 73.390 18.489 -99.200 -91.000 TYR 81 0.840 64.690 84.984 13.493 -99.200 -91.000 PHE 93 1.000 69.325 74.219 -10.123 -99.200 -91.000 PHE 96 1.000 58.262 74.355 -9.114 -99.200 -91.000 TRP 106 1.040 59.136 57.754 3.042 -99.200 -91.000 TRP6 106 1.020 58.671 55.761 1.873 -99.200 -91.000 TYR 124 0.840 42.338 61.438 -10.468 -99.200 -91.000 PHE 127 1.000 48.366 50.670 -11.770 -99.200 -91.000 PHE 128 1.000 55.196 50.450 -13.792 -99.200 -91.000 HIS 130 0.900 60.474 56.268 -4.142 -99.200 -91.000 TRP 134 1.040 52.097 54.217 -5.541 -99.200 -91.000 TRP6 134 1.020 50.018 53.383 -6.297 -99.200 -91.000 TYR 139 0.840 52.430 56.531 5.292 -99.200 -91.000 HIS 145 0.900 40.334 57.537 -7.584 -99.200 -91.000 PHE 147 1.000 48.513 58.253 -14.092 -99.200 -91.000 HIS 149 0.900 55.593 54.078 -16.487 -99.200 -91.000 HIS 154 0.900 43.766 53.790 -16.317 -99.200 -91.000 HIS 162 0.900 36.910 57.587 -9.341 -99.200 -91.000 TYR 173 0.840 57.167 57.430 -13.680 -99.200 -91.000 PHE 192 1.000 39.732 66.297 -17.491 -99.200 -91.000 HIS 202 0.900 65.745 58.556 -9.704 -99.200 -91.000 HIS 207 0.900 67.510 64.407 -17.474 -99.200 -91.000 HIS 225 0.900 48.752 73.298 -9.598 -99.200 -91.000 PHE 226 1.000 51.703 71.629 -4.469 -99.200 -91.000 PHE 235 1.000 71.169 69.486 -5.863 -99.200 -91.000 TYR 237 0.840 74.056 66.373 2.969 -99.200 -91.000 TRP 243 1.040 62.313 73.540 -5.446 -99.200 -91.000 TRP6 243 1.020 63.302 71.394 -5.352 -99.200 -91.000 PHE 254 1.000 54.884 76.180 11.240 -99.200 -91.000 TYR 257 0.840 51.154 63.559 12.351 -99.200 -91.000 PHE 261 1.000 54.746 65.037 16.047 -99.200 -91.000 TYR 268 0.840 77.198 69.618 9.664 -99.200 -91.000 HIS 289 0.900 81.174 60.963 -20.665 -99.200 -91.000 TYR 331 0.840 75.937 35.630 -18.310 -99.200 -91.000 PHE 338 1.000 79.025 43.093 -9.060 -99.200 -91.000 PHE 342 1.000 65.368 49.389 -7.878 -99.200 -91.000 TYR 380 0.840 77.127 31.642 -22.004 -99.200 -91.000 PHE 383 1.000 70.773 34.602 -18.124 -99.200 -91.000 TYR 384 0.840 62.060 34.507 -17.773 -99.200 -91.000 PHE 385 1.000 67.810 39.341 -20.018 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2wk7A1 PRO 4 HA -0.01 -0.07 0.18 -0.51 4.44 4.02 2wk7A1 PRO 4 HB2 -0.02 -0.03 0.07 -0.04 2.28 2.26 2wk7A1 PRO 4 HB3 -0.01 0.01 -0.02 -0.04 2.02 1.96 2wk7A1 PRO 4 HG2 -0.01 -0.01 0.02 -0.04 2.03 1.99 2wk7A1 PRO 4 HG3 -0.01 0.00 0.02 -0.04 2.03 2.00 2wk7A1 PRO 4 HD2 -0.01 -0.01 0.01 -0.04 3.68 3.62 2wk7A1 PRO 4 HD3 -0.01 0.00 0.01 -0.04 3.65 3.61 2wk7A1 GLN 5 H -0.01 0.08 0.05 -0.55 8.47 8.05 2wk7A1 GLN 5 HA -0.02 -0.02 0.32 -0.75 4.36 3.89 2wk7A1 LEU 6 H -0.04 0.05 0.23 -0.55 8.37 8.06 2wk7A1 LEU 6 HA -0.07 0.11 0.56 -0.75 4.35 4.19 2wk7A1 LEU 6 HB2 -0.08 -0.08 0.16 -0.04 1.64 1.60 2wk7A1 LEU 6 HB3 -0.15 -0.03 0.08 -0.04 1.64 1.50 2wk7A1 LEU 6 HG -0.06 0.10 0.11 -0.04 1.64 1.75 2wk7A1 LEU 6 HD13 -0.07 -0.02 -0.02 -0.04 0.93 0.78 2wk7A1 LEU 6 HD23 -0.10 -0.00 0.04 -0.04 0.89 0.79 2wk7A1 PRO 7 HA 0.01 0.13 0.52 -0.51 4.44 4.59 2wk7A1 PRO 7 HB2 -0.69 -0.14 -0.06 -0.04 2.28 1.35 2wk7A1 PRO 7 HB3 0.23 0.06 0.13 -0.04 2.02 2.41 2wk7A1 PRO 7 HG2 -0.16 0.06 0.06 -0.04 2.03 1.94 2wk7A1 PRO 7 HG3 0.06 0.12 0.10 -0.04 2.03 2.27 2wk7A1 PRO 7 HD2 -0.21 0.05 0.22 -0.04 3.68 3.69 2wk7A1 PRO 7 HD3 -0.07 0.26 0.22 -0.04 3.65 4.02 2wk7A1 ASP 8 H 0.06 0.21 0.18 -0.55 8.40 8.31 2wk7A1 ASP 8 HA -0.01 0.12 0.49 -0.75 4.63 4.48 2wk7A1 ASP 8 HB2 0.08 0.01 0.14 -0.04 2.71 2.91 2wk7A1 ASP 8 HB3 0.05 0.03 0.04 -0.04 2.70 2.79 2wk7A1 PHE 9 H 0.25 0.13 -0.15 -0.55 8.34 8.02 2wk7A1 PHE 9 HA 0.01 0.13 0.33 -0.75 4.62 4.34 2wk7A1 PHE 9 HB2 0.00 0.07 0.13 -0.04 3.15 3.31 2wk7A1 PHE 9 HB3 0.00 0.00 0.08 -0.04 3.06 3.11 2wk7A1 PHE 9 HD2 -0.00 -0.04 -0.01 -0.04 7.28 7.19 2wk7A1 PHE 9 HE2 -0.01 0.03 -0.02 -0.04 7.38 7.34 2wk7A1 PHE 9 HZ -0.01 0.04 -0.03 -0.04 7.32 7.29 2wk7A1 ILE 10 H -0.35 0.16 -0.93 -0.55 8.25 6.58 2wk7A1 ILE 10 HA -0.22 0.22 0.89 -0.75 4.18 4.32 2wk7A1 ILE 10 HB -0.36 0.10 0.06 -0.04 1.89 1.65 2wk7A1 ILE 10 HG12 -0.67 0.10 -0.13 -0.04 1.49 0.75 2wk7A1 ILE 10 HG13 -1.61 -0.11 -0.23 -0.04 1.21 -0.77 2wk7A1 ILE 10 HG23 -0.17 0.01 -0.08 -0.04 0.93 0.65 2wk7A1 ILE 10 HD13 -0.28 0.02 -0.00 -0.04 0.88 0.58 2wk7A1 GLN 11 H -0.15 0.57 0.12 -0.55 8.47 8.47 2wk7A1 GLN 11 HA -0.06 0.05 0.37 -0.75 4.36 3.95 2wk7A1 GLN 11 HB2 -0.06 0.12 0.07 -0.04 2.15 2.24 2wk7A1 GLN 11 HB3 -0.04 -0.01 0.11 -0.04 2.02 2.05 2wk7A1 GLN 11 HG2 -0.03 0.03 -0.01 -0.04 2.40 2.36 2wk7A1 GLN 11 HG3 -0.03 -0.03 -0.09 -0.04 2.39 2.20 2wk7A1 GLN 11 HE21 -0.03 0.03 0.05 -0.04 6.97 6.98 2wk7A1 GLN 11 HE22 -0.03 -0.07 0.13 -0.04 7.69 7.68 2wk7A1 ASN 12 H -0.02 0.39 -0.29 -0.55 8.53 8.07 2wk7A1 ASN 12 HA 0.03 0.09 0.55 -0.75 4.76 4.68 2wk7A1 ASN 12 HB2 0.09 0.09 0.03 -0.04 2.88 3.04 2wk7A1 ASN 12 HB3 0.18 -0.01 0.04 -0.04 2.79 2.96 2wk7A1 ASN 12 HD21 0.04 -0.03 0.00 -0.04 7.03 7.01 2wk7A1 ASN 12 HD22 0.08 0.00 -0.03 -0.04 7.74 7.75 2wk7A1 LYS 13 H 0.01 0.16 -0.38 -0.55 8.42 7.67 2wk7A1 LYS 13 HA 0.09 0.10 0.57 -0.75 4.32 4.32 2wk7A1 LYS 13 HB2 0.02 0.09 0.07 -0.04 1.87 2.00 2wk7A1 LYS 13 HB3 -0.03 0.06 0.13 -0.04 1.79 1.91 2wk7A1 LYS 13 HG2 -0.02 -0.04 -0.12 -0.04 1.46 1.23 2wk7A1 LYS 13 HG3 0.02 -0.01 0.04 -0.04 1.46 1.47 2wk7A1 LYS 13 HD2 0.01 0.07 0.05 -0.04 1.69 1.78 2wk7A1 LYS 13 HD3 -0.05 -0.01 -0.00 -0.04 1.68 1.57 2wk7A1 LYS 13 HE2 0.01 -0.00 0.00 -0.04 2.99 2.96 2wk7A1 LYS 13 HE3 -0.00 0.01 0.00 -0.04 2.99 2.96 2wk7A1 ILE 14 H -0.02 0.59 -0.02 -0.55 8.25 8.25 2wk7A1 ILE 14 HA -0.02 0.03 0.43 -0.75 4.18 3.86 2wk7A1 ILE 14 HB -0.03 0.09 0.12 -0.04 1.89 2.03 2wk7A1 ILE 14 HG12 -0.07 0.09 0.06 -0.04 1.49 1.53 2wk7A1 ILE 14 HG13 -0.06 0.00 0.00 -0.04 1.21 1.12 2wk7A1 ILE 14 HG23 -0.01 -0.00 -0.10 -0.04 0.93 0.78 2wk7A1 ILE 14 HD13 -0.11 -0.01 -0.01 -0.04 0.88 0.70 2wk7A1 ASP 15 H -0.01 0.49 -0.15 -0.55 8.40 8.18 2wk7A1 ASP 15 HA -0.03 0.02 0.35 -0.75 4.63 4.21 2wk7A1 ASP 15 HB2 -0.08 0.02 0.18 -0.04 2.71 2.79 2wk7A1 ASP 15 HB3 -0.14 -0.03 0.03 -0.04 2.70 2.53 2wk7A1 HIS 16 H 0.09 0.35 -0.46 -0.55 8.41 7.85 2wk7A1 HIS 16 HA 0.02 0.06 0.59 -0.75 4.63 4.54 2wk7A1 HIS 16 HB2 0.04 0.16 0.19 -0.04 3.26 3.62 2wk7A1 HIS 16 HB3 0.05 -0.06 0.02 -0.04 3.20 3.17 2wk7A1 HIS 16 HD2 0.01 -0.03 0.03 -0.04 6.97 6.94 2wk7A1 HIS 16 HE1 0.01 -0.05 -0.01 -0.04 7.75 7.67 2wk7A1 TYR 17 H 0.16 0.56 -0.09 -0.55 8.29 8.37 2wk7A1 TYR 17 HA 0.04 0.02 0.36 -0.75 4.56 4.22 2wk7A1 TYR 17 HB2 -0.16 0.07 0.11 -0.04 3.06 3.04 2wk7A1 TYR 17 HB3 -0.20 0.04 0.18 -0.04 2.98 2.96 2wk7A1 TYR 17 HD2 -0.61 0.02 -0.13 -0.04 7.15 6.39 2wk7A1 TYR 17 HE2 -0.83 -0.00 -0.08 -0.04 6.85 5.90 2wk7A1 ILE 18 H 0.01 0.77 -0.00 -0.55 8.25 8.48 2wk7A1 ILE 18 HA -0.46 -0.02 0.29 -0.75 4.18 3.24 2wk7A1 ILE 18 HB 0.00 0.11 0.08 -0.04 1.89 2.05 2wk7A1 ILE 18 HG12 0.08 -0.06 0.04 -0.04 1.49 1.51 2wk7A1 ILE 18 HG13 0.02 0.32 0.12 -0.04 1.21 1.62 2wk7A1 ILE 18 HG23 0.17 -0.01 -0.03 -0.04 0.93 1.01 2wk7A1 ILE 18 HD13 0.04 -0.03 -0.07 -0.04 0.88 0.79 2wk7A1 GLU 19 H -0.03 0.32 -0.61 -0.55 8.60 7.74 2wk7A1 GLU 19 HA 0.00 -0.01 0.61 -0.75 4.29 4.14 2wk7A1 GLU 19 HB2 -0.01 -0.04 0.08 -0.04 2.09 2.08 2wk7A1 GLU 19 HB3 -0.03 0.08 0.12 -0.04 1.99 2.11 2wk7A1 GLU 19 HG2 0.02 0.29 0.29 -0.04 2.34 2.90 2wk7A1 GLU 19 HG3 0.02 -0.03 -0.09 -0.04 2.34 2.19 2wk7A1 ASN 20 H 0.01 0.79 0.16 -0.55 8.53 8.95 2wk7A1 ASN 20 HA -0.08 0.04 0.48 -0.75 4.76 4.44 2wk7A1 ASN 20 HB2 0.16 0.03 0.08 -0.04 2.88 3.11 2wk7A1 ASN 20 HB3 -0.11 -0.08 0.18 -0.04 2.79 2.74 2wk7A1 ASN 20 HD21 0.07 -0.03 0.01 -0.04 7.03 7.05 2wk7A1 ASN 20 HD22 -0.01 -0.00 0.01 -0.04 7.74 7.70 2wk7A1 TYR 21 H -0.10 0.01 -0.66 -0.55 8.29 6.99 2wk7A1 TYR 21 HA -0.23 0.11 0.83 -0.75 4.56 4.52 2wk7A1 TYR 21 HB2 -1.24 0.14 -0.11 -0.04 3.06 1.80 2wk7A1 TYR 21 HB3 -0.42 -0.10 -0.07 -0.04 2.98 2.35 2wk7A1 TYR 21 HD2 -0.30 -0.03 -0.16 -0.04 7.15 6.62 2wk7A1 TYR 21 HE2 0.03 -0.03 -0.06 -0.04 6.85 6.75 2wk7A1 PHE 22 H -0.04 0.28 0.03 -0.55 8.34 8.06 2wk7A1 PHE 22 HA 0.00 0.17 0.62 -0.75 4.62 4.66 2wk7A1 PHE 22 HB2 0.02 0.29 0.32 -0.04 3.15 3.75 2wk7A1 PHE 22 HB3 0.03 0.27 0.05 -0.04 3.06 3.37 2wk7A1 PHE 22 HD2 0.09 0.08 -0.25 -0.04 7.28 7.16 2wk7A1 PHE 22 HE2 0.26 -0.04 -0.05 -0.04 7.38 7.51 2wk7A1 PHE 22 HZ 0.19 -0.03 -0.04 -0.04 7.32 7.40 2wk7A1 ASP 23 H 0.10 0.42 0.41 -0.55 8.40 8.78 2wk7A1 ASP 23 HA 0.06 0.08 0.36 -0.75 4.63 4.38 2wk7A1 ASP 23 HB2 0.02 0.08 0.35 -0.04 2.71 3.11 2wk7A1 ASP 23 HB3 0.02 -0.01 0.06 -0.04 2.70 2.72 2wk7A1 ILE 24 H -0.01 0.17 -0.23 -0.55 8.25 7.64 2wk7A1 ILE 24 HA -0.02 0.03 0.25 -0.75 4.18 3.68 2wk7A1 ILE 24 HB -0.07 -0.07 -0.08 -0.04 1.89 1.63 2wk7A1 ILE 24 HG12 -0.15 0.03 -0.25 -0.04 1.49 1.08 2wk7A1 ILE 24 HG13 -0.07 0.03 -0.26 -0.04 1.21 0.87 2wk7A1 ILE 24 HG23 -0.06 0.01 0.01 -0.04 0.93 0.86 2wk7A1 ILE 24 HD13 -0.09 -0.02 -0.31 -0.04 0.88 0.42 2wk7A1 ASN 25 H -0.00 0.35 -0.54 -0.55 8.53 7.80 2wk7A1 ASN 25 HA -0.04 0.01 0.58 -0.75 4.76 4.56 2wk7A1 ASN 25 HB2 -0.01 0.30 0.01 -0.04 2.88 3.14 2wk7A1 ASN 25 HB3 -0.03 -0.15 -0.01 -0.04 2.79 2.56 2wk7A1 ASN 25 HD21 -0.13 -0.27 0.01 -0.04 7.03 6.60 2wk7A1 ASN 25 HD22 -0.02 0.90 0.15 -0.04 7.74 8.73 2wk7A1 LYS 26 H -0.03 0.11 0.16 -0.55 8.42 8.11 2wk7A1 LYS 26 HA -0.01 0.11 0.36 -0.75 4.32 4.03 2wk7A1 LYS 26 HB2 -0.02 -0.04 0.14 -0.04 1.87 1.91 2wk7A1 LYS 26 HB3 -0.01 0.02 0.04 -0.04 1.79 1.80 2wk7A1 LYS 26 HG2 -0.02 0.04 0.08 -0.04 1.46 1.52 2wk7A1 LYS 26 HG3 -0.02 -0.02 0.12 -0.04 1.46 1.49 2wk7A1 LYS 26 HD2 -0.02 0.01 0.02 -0.04 1.69 1.66 2wk7A1 LYS 26 HD3 -0.01 0.00 0.02 -0.04 1.68 1.66 2wk7A1 LYS 26 HE2 -0.01 0.00 0.02 -0.04 2.99 2.97 2wk7A1 LYS 26 HE3 -0.02 -0.01 0.02 -0.04 2.99 2.95 2wk7A1 ASN 27 H -0.02 0.06 -0.18 -0.55 8.53 7.85 2wk7A1 ASN 27 HA -0.01 0.15 0.51 -0.75 4.76 4.66 2wk7A1 ASN 27 HB2 -0.01 0.01 0.11 -0.04 2.88 2.95 2wk7A1 ASN 27 HB3 -0.01 -0.01 0.04 -0.04 2.79 2.77 2wk7A1 ASN 27 HD21 -0.01 0.40 0.13 -0.04 7.03 7.52 2wk7A1 ASN 27 HD22 -0.01 0.01 -0.02 -0.04 7.74 7.68 2wk7A1 GLY 28 H -0.00 0.49 -0.62 -0.55 8.43 7.76 2wk7A1 GLY 28 HA2 0.02 0.21 0.27 -0.51 4.01 4.01 2wk7A1 GLY 28 HA3 0.00 -0.02 0.40 -0.51 4.01 3.88 2wk7A1 LYS 29 H -0.03 -0.07 -0.71 -0.55 8.42 7.05 2wk7A1 LYS 29 HA -0.21 0.08 0.68 -0.75 4.32 4.11 2wk7A1 LYS 29 HB2 -0.04 0.16 0.01 -0.04 1.87 1.96 2wk7A1 LYS 29 HB3 -0.09 -0.16 0.14 -0.04 1.79 1.63 2wk7A1 LYS 29 HG2 -0.08 -0.01 -0.14 -0.04 1.46 1.19 2wk7A1 LYS 29 HG3 -0.04 0.14 -0.08 -0.04 1.46 1.44 2wk7A1 LYS 29 HD2 -0.06 -0.08 -0.01 -0.04 1.69 1.50 2wk7A1 LYS 29 HD3 -0.05 -0.05 -0.02 -0.04 1.68 1.52 2wk7A1 LYS 29 HE2 -0.01 -0.08 -0.03 -0.04 2.99 2.82 2wk7A1 LYS 29 HE3 -0.02 -0.00 -0.01 -0.04 2.99 2.92 2wk7A1 HIS 30 H -0.11 0.03 0.15 -0.55 8.41 7.93 2wk7A1 HIS 30 HA 0.21 0.33 0.57 -0.75 4.63 4.99 2wk7A1 HIS 30 HB2 0.08 0.04 0.11 -0.04 3.26 3.45 2wk7A1 HIS 30 HB3 0.02 -0.07 0.06 -0.04 3.20 3.17 2wk7A1 HIS 30 HD2 0.52 0.03 -0.04 -0.04 6.97 7.44 2wk7A1 HIS 30 HE1 0.10 0.05 -0.01 -0.04 7.75 7.85 2wk7A1 LEU 31 H -0.75 0.17 0.18 -0.55 8.37 7.42 2wk7A1 LEU 31 HA -0.07 0.16 0.27 -0.75 4.35 3.96 2wk7A1 LEU 31 HB2 -0.21 0.05 0.12 -0.04 1.64 1.55 2wk7A1 LEU 31 HB3 -0.17 -0.05 0.03 -0.04 1.64 1.40 2wk7A1 LEU 31 HG -0.05 -0.01 -0.13 -0.04 1.64 1.41 2wk7A1 LEU 31 HD13 -0.08 0.02 0.03 -0.04 0.93 0.86 2wk7A1 LEU 31 HD23 -0.08 -0.02 -0.02 -0.04 0.89 0.73 2wk7A1 VAL 32 H 0.49 0.01 -0.31 -0.55 8.24 7.87 2wk7A1 VAL 32 HA 0.05 0.10 0.54 -0.75 4.13 4.07 2wk7A1 VAL 32 HB 0.01 0.01 0.12 -0.04 2.12 2.21 2wk7A1 VAL 32 HG13 0.12 0.01 -0.01 -0.04 0.97 1.05 2wk7A1 VAL 32 HG23 0.10 -0.02 -0.14 -0.04 0.95 0.85 2wk7A1 LEU 33 H 0.08 0.43 -0.45 -0.55 8.37 7.88 2wk7A1 LEU 33 HA 0.04 0.08 0.76 -0.75 4.35 4.47 2wk7A1 LEU 33 HB2 0.02 0.00 0.11 -0.04 1.64 1.73 2wk7A1 LEU 33 HB3 -0.00 0.11 -0.02 -0.04 1.64 1.69 2wk7A1 LEU 33 HG -0.01 0.05 -0.04 -0.04 1.64 1.59 2wk7A1 LEU 33 HD13 0.00 -0.01 -0.18 -0.04 0.93 0.70 2wk7A1 LEU 33 HD23 -0.05 -0.03 0.01 -0.04 0.89 0.77 2wk7A1 GLY 34 H 0.07 0.12 0.02 -0.55 8.43 8.09 2wk7A1 GLY 34 HA2 0.01 0.14 0.64 -0.51 4.01 4.30 2wk7A1 GLY 34 HA3 0.05 -0.01 0.32 -0.51 4.01 3.86 2wk7A1 LYS 35 H 0.13 0.13 0.07 -0.55 8.42 8.19 2wk7A1 LYS 35 HA 0.06 0.18 0.79 -0.75 4.32 4.59 2wk7A1 LYS 35 HB2 0.06 -0.03 0.11 -0.04 1.87 1.97 2wk7A1 LYS 35 HB3 0.05 -0.01 0.00 -0.04 1.79 1.79 2wk7A1 LYS 35 HG2 0.23 -0.07 -0.12 -0.04 1.46 1.46 2wk7A1 LYS 35 HG3 0.21 0.20 -0.36 -0.04 1.46 1.47 2wk7A1 LYS 35 HD2 0.04 -0.04 -0.08 -0.04 1.69 1.57 2wk7A1 LYS 35 HD3 0.11 0.13 -0.17 -0.04 1.68 1.71 2wk7A1 LYS 35 HE2 0.05 0.01 -0.04 -0.04 2.99 2.97 2wk7A1 LYS 35 HE3 0.08 0.08 -0.03 -0.04 2.99 3.08 2wk7A1 GLN 36 H 0.04 0.11 0.10 -0.55 8.47 8.18 2wk7A1 GLN 36 HA -0.02 0.07 0.57 -0.75 4.36 4.23 2wk7A1 GLN 36 HB2 -0.00 -0.01 0.08 -0.04 2.15 2.17 2wk7A1 GLN 36 HB3 -0.01 -0.00 0.04 -0.04 2.02 2.01 2wk7A1 GLN 36 HG2 -0.05 0.17 -0.08 -0.04 2.40 2.40 2wk7A1 GLN 36 HG3 -0.04 -0.04 0.04 -0.04 2.39 2.31 2wk7A1 GLN 36 HE21 -0.02 -0.03 -0.01 -0.04 6.97 6.86 2wk7A1 GLN 36 HE22 -0.03 0.01 -0.01 -0.04 7.69 7.62 2wk7A1 ALA 37 H -0.21 0.08 0.14 -0.55 8.40 7.86 2wk7A1 ALA 37 HA -0.25 0.14 0.57 -0.75 4.34 4.04 2wk7A1 ALA 37 HB3 -0.83 0.02 0.01 -0.04 1.41 0.56 2wk7A1 SER 38 H -0.07 0.12 0.14 -0.55 8.46 8.10 2wk7A1 SER 38 HA -0.04 0.21 0.75 -0.75 4.49 4.65 2wk7A1 SER 38 HB2 0.01 -0.06 0.08 -0.04 3.95 3.93 2wk7A1 SER 38 HB3 -0.01 -0.02 0.15 -0.04 3.93 4.02 2wk7A1 PRO 39 HA -0.03 0.12 0.42 -0.51 4.44 4.45 2wk7A1 PRO 39 HB2 -0.01 0.02 0.03 -0.04 2.28 2.28 2wk7A1 PRO 39 HB3 -0.01 0.03 0.10 -0.04 2.02 2.10 2wk7A1 PRO 39 HG2 -0.01 0.04 0.09 -0.04 2.03 2.11 2wk7A1 PRO 39 HG3 -0.02 0.06 0.08 -0.04 2.03 2.11 2wk7A1 PRO 39 HD2 -0.01 0.08 0.22 -0.04 3.68 3.92 2wk7A1 PRO 39 HD3 -0.02 0.17 0.23 -0.04 3.65 3.98 2wk7A1 ASP 40 H 0.00 0.04 -0.19 -0.55 8.40 7.70 2wk7A1 ASP 40 HA 0.01 0.07 0.36 -0.75 4.63 4.32 2wk7A1 ASP 40 HB2 0.02 -0.03 0.02 -0.04 2.71 2.69 2wk7A1 ASP 40 HB3 0.02 0.02 0.01 -0.04 2.70 2.71 2wk7A1 ASP 41 H 0.01 0.06 -0.43 -0.55 8.40 7.49 2wk7A1 ASP 41 HA 0.08 0.02 0.35 -0.75 4.63 4.33 2wk7A1 ASP 41 HB2 -0.07 0.10 -0.00 -0.04 2.71 2.70 2wk7A1 ASP 41 HB3 0.19 0.09 -0.12 -0.04 2.70 2.81 2wk7A1 ILE 42 H 0.13 0.98 0.40 -0.55 8.25 9.20 2wk7A1 ILE 42 HA 0.06 0.09 0.84 -0.75 4.18 4.42 2wk7A1 ILE 42 HB 0.10 0.05 0.27 -0.04 1.89 2.27 2wk7A1 ILE 42 HG12 0.05 0.03 0.02 -0.04 1.49 1.55 2wk7A1 ILE 42 HG13 0.07 0.05 0.10 -0.04 1.21 1.39 2wk7A1 ILE 42 HG23 0.07 -0.03 -0.13 -0.04 0.93 0.80 2wk7A1 ILE 42 HD13 0.05 -0.05 0.03 -0.04 0.88 0.88 2wk7A1 ILE 43 H 0.04 0.20 0.15 -0.55 8.25 8.10 2wk7A1 ILE 43 HA 0.11 0.19 0.78 -0.75 4.18 4.52 2wk7A1 ILE 43 HB 0.00 0.01 0.15 -0.04 1.89 2.01 2wk7A1 ILE 43 HG12 -0.12 -0.03 -0.05 -0.04 1.49 1.25 2wk7A1 ILE 43 HG13 -0.16 0.01 -0.04 -0.04 1.21 0.98 2wk7A1 ILE 43 HG23 0.02 -0.04 -0.15 -0.04 0.93 0.72 2wk7A1 ILE 43 HD13 -0.15 0.04 -0.37 -0.04 0.88 0.35 2wk7A1 LEU 44 H 0.14 1.34 0.46 -0.55 8.37 9.77 2wk7A1 LEU 44 HA 0.10 0.17 0.95 -0.75 4.35 4.81 2wk7A1 LEU 44 HB2 0.11 -0.10 0.27 -0.04 1.64 1.89 2wk7A1 LEU 44 HB3 0.10 -0.10 0.08 -0.04 1.64 1.69 2wk7A1 LEU 44 HG 0.10 0.01 -0.64 -0.04 1.64 1.07 2wk7A1 LEU 44 HD13 0.08 -0.02 -0.19 -0.04 0.93 0.77 2wk7A1 LEU 44 HD23 0.08 -0.00 -0.16 -0.04 0.89 0.76 2wk7A1 GLN 45 H 0.08 -0.02 0.01 -0.55 8.47 8.00 2wk7A1 GLN 45 HA 0.12 0.23 0.90 -0.75 4.36 4.86 2wk7A1 GLN 45 HB2 0.06 -0.06 -0.06 -0.04 2.15 2.04 2wk7A1 GLN 45 HB3 0.07 -0.02 0.08 -0.04 2.02 2.11 2wk7A1 GLN 45 HG2 0.12 0.44 -0.20 -0.04 2.40 2.72 2wk7A1 GLN 45 HG3 0.12 -0.18 -0.57 -0.04 2.39 1.71 2wk7A1 GLN 45 HE21 0.11 -0.06 0.00 -0.04 6.97 6.98 2wk7A1 GLN 45 HE22 0.20 0.39 0.07 -0.04 7.69 8.31 2wk7A1 SER 46 H 0.07 0.01 0.09 -0.55 8.46 8.08 2wk7A1 SER 46 HA 0.03 0.10 0.39 -0.75 4.49 4.25 2wk7A1 SER 46 HB2 0.03 0.07 0.08 -0.04 3.95 4.09 2wk7A1 SER 46 HB3 0.04 0.10 0.03 -0.04 3.93 4.06 2wk7A1 ASN 47 H -0.05 0.17 0.16 -0.55 8.53 8.27 2wk7A1 ASN 47 HA -0.46 0.28 0.80 -0.75 4.76 4.63 2wk7A1 ASN 47 HB2 -0.08 0.13 0.17 -0.04 2.88 3.05 2wk7A1 ASN 47 HB3 -0.24 -0.16 0.21 -0.04 2.79 2.56 2wk7A1 ASN 47 HD21 0.23 0.04 -0.10 -0.04 7.03 7.16 2wk7A1 ASN 47 HD22 0.09 0.10 -0.09 -0.04 7.74 7.80 2wk7A1 ASP 48 H -0.09 0.06 -0.26 -0.55 8.40 7.56 2wk7A1 ASP 48 HA -0.06 0.24 0.39 -0.75 4.63 4.44 2wk7A1 ASP 48 HB2 -0.01 0.06 0.10 -0.04 2.71 2.82 2wk7A1 ASP 48 HB3 0.01 0.06 0.16 -0.04 2.70 2.88 2wk7A1 TYR 49 H -0.20 0.46 -0.04 -0.55 8.29 7.96 2wk7A1 TYR 49 HA 0.08 0.22 0.20 -0.75 4.56 4.31 2wk7A1 TYR 49 HB2 0.10 -0.06 0.07 -0.04 3.06 3.13 2wk7A1 TYR 49 HB3 0.09 0.04 0.03 -0.04 2.98 3.10 2wk7A1 TYR 49 HD2 0.12 0.15 0.01 -0.04 7.15 7.40 2wk7A1 TYR 49 HE2 0.21 -0.02 0.00 -0.04 6.85 7.00 2wk7A1 LEU 50 H 0.13 0.11 -0.16 -0.55 8.37 7.91 2wk7A1 LEU 50 HA 0.11 0.17 0.87 -0.75 4.35 4.74 2wk7A1 LEU 50 HB2 0.04 0.03 0.01 -0.04 1.64 1.68 2wk7A1 LEU 50 HB3 0.04 0.03 0.13 -0.04 1.64 1.80 2wk7A1 LEU 50 HG 0.11 -0.08 -0.10 -0.04 1.64 1.53 2wk7A1 LEU 50 HD13 0.02 0.07 -0.01 -0.04 0.93 0.97 2wk7A1 LEU 50 HD23 0.09 -0.00 -0.23 -0.04 0.89 0.71 2wk7A1 ALA 51 H 0.08 0.47 -0.37 -0.55 8.40 8.03 2wk7A1 ALA 51 HA 0.06 0.02 0.30 -0.75 4.34 3.96 2wk7A1 ALA 51 HB3 0.07 0.04 -0.08 -0.04 1.41 1.40 2wk7A1 LEU 52 H 0.04 0.05 -0.16 -0.55 8.37 7.76 2wk7A1 LEU 52 HA 0.10 0.22 0.52 -0.75 4.35 4.43 2wk7A1 LEU 52 HB2 -0.00 0.05 -0.08 -0.04 1.64 1.57 2wk7A1 LEU 52 HB3 -0.05 -0.01 0.05 -0.04 1.64 1.59 2wk7A1 LEU 52 HG -0.01 -0.11 -0.25 -0.04 1.64 1.23 2wk7A1 LEU 52 HD13 -0.16 0.04 -0.03 -0.04 0.93 0.74 2wk7A1 LEU 52 HD23 -0.02 0.02 -0.16 -0.04 0.89 0.68 2wk7A1 ALA 53 H 0.05 0.03 -0.22 -0.55 8.40 7.71 2wk7A1 ALA 53 HA 0.06 0.14 0.27 -0.75 4.34 4.06 2wk7A1 ALA 53 HB3 0.04 -0.00 0.05 -0.04 1.41 1.45 2wk7A1 ASN 54 H 0.05 0.11 -0.21 -0.55 8.53 7.94 2wk7A1 ASN 54 HA 0.05 0.22 0.74 -0.75 4.76 5.01 2wk7A1 ASN 54 HB2 0.02 -0.03 0.07 -0.04 2.88 2.90 2wk7A1 ASN 54 HB3 0.01 0.02 0.19 -0.04 2.79 2.97 2wk7A1 ASN 54 HD21 0.02 0.02 -0.08 -0.04 7.03 6.96 2wk7A1 ASN 54 HD22 0.03 -0.13 -0.20 -0.04 7.74 7.40 2wk7A1 HIS 55 H 0.14 0.44 -0.56 -0.55 8.41 7.88 2wk7A1 HIS 55 HA 0.00 0.16 0.58 -0.75 4.63 4.63 2wk7A1 HIS 55 HB2 -0.00 0.11 0.09 -0.04 3.26 3.42 2wk7A1 HIS 55 HB3 -0.01 -0.08 0.12 -0.04 3.20 3.19 2wk7A1 HIS 55 HD2 -0.01 0.09 0.01 -0.04 6.97 7.02 2wk7A1 HIS 55 HE1 -0.01 0.03 0.03 -0.04 7.75 7.75 2wk7A1 PRO 56 HA 0.00 0.11 0.33 -0.51 4.44 4.37 2wk7A1 PRO 56 HB2 -0.07 0.01 0.05 -0.04 2.28 2.24 2wk7A1 PRO 56 HB3 -0.05 0.07 0.09 -0.04 2.02 2.09 2wk7A1 PRO 56 HG2 -0.18 0.06 0.12 -0.04 2.03 1.98 2wk7A1 PRO 56 HG3 -0.11 0.13 0.13 -0.04 2.03 2.14 2wk7A1 PRO 56 HD2 -0.87 0.03 0.24 -0.04 3.68 3.03 2wk7A1 PRO 56 HD3 -0.31 0.27 0.35 -0.04 3.65 3.92 2wk7A1 LEU 57 H 0.14 0.17 -0.03 -0.55 8.37 8.11 2wk7A1 LEU 57 HA 0.07 0.10 0.38 -0.75 4.35 4.15 2wk7A1 LEU 57 HB2 0.23 0.03 0.10 -0.04 1.64 1.96 2wk7A1 LEU 57 HB3 0.25 0.01 0.01 -0.04 1.64 1.87 2wk7A1 LEU 57 HG 0.04 -0.01 -0.06 -0.04 1.64 1.57 2wk7A1 LEU 57 HD13 0.04 0.01 0.04 -0.04 0.93 0.98 2wk7A1 LEU 57 HD23 0.04 0.02 -0.01 -0.04 0.89 0.90 2wk7A1 ILE 58 H 0.30 0.10 -0.35 -0.55 8.25 7.74 2wk7A1 ILE 58 HA -0.01 0.05 0.47 -0.75 4.18 3.94 2wk7A1 ILE 58 HB 0.06 0.15 0.11 -0.04 1.89 2.16 2wk7A1 ILE 58 HG12 -0.14 -0.04 -0.13 -0.04 1.49 1.14 2wk7A1 ILE 58 HG13 -0.27 -0.11 -0.03 -0.04 1.21 0.76 2wk7A1 ILE 58 HG23 -0.02 0.02 -0.07 -0.04 0.93 0.81 2wk7A1 ILE 58 HD13 -0.13 0.06 0.01 -0.04 0.88 0.78 2wk7A1 LYS 59 H 0.08 0.55 -0.06 -0.55 8.42 8.44 2wk7A1 LYS 59 HA 0.04 -0.00 0.35 -0.75 4.32 3.96 2wk7A1 LYS 59 HB2 0.04 0.07 0.13 -0.04 1.87 2.07 2wk7A1 LYS 59 HB3 0.03 -0.04 -0.02 -0.04 1.79 1.72 2wk7A1 LYS 59 HG2 0.05 -0.04 0.05 -0.04 1.46 1.48 2wk7A1 LYS 59 HG3 0.06 0.25 0.01 -0.04 1.46 1.74 2wk7A1 LYS 59 HD2 0.02 -0.02 -0.15 -0.04 1.69 1.50 2wk7A1 LYS 59 HD3 0.02 -0.04 -0.04 -0.04 1.68 1.59 2wk7A1 LYS 59 HE2 0.03 -0.00 -0.01 -0.04 2.99 2.97 2wk7A1 LYS 59 HE3 0.04 -0.08 -0.10 -0.04 2.99 2.81 2wk7A1 ALA 60 H 0.04 0.64 -0.23 -0.55 8.40 8.30 2wk7A1 ALA 60 HA 0.01 0.01 0.44 -0.75 4.34 4.05 2wk7A1 ALA 60 HB3 0.02 0.04 0.10 -0.04 1.41 1.53 2wk7A1 ARG 61 H 0.02 0.47 -0.13 -0.55 8.46 8.26 2wk7A1 ARG 61 HA 0.01 0.02 0.34 -0.75 4.34 3.95 2wk7A1 ARG 61 HB2 -0.00 0.06 0.09 -0.04 1.90 2.00 2wk7A1 ARG 61 HB3 0.00 -0.04 0.06 -0.04 1.80 1.78 2wk7A1 ARG 61 HG2 0.01 0.55 0.27 -0.04 1.67 2.45 2wk7A1 ARG 61 HG3 -0.00 -0.08 0.07 -0.04 1.67 1.61 2wk7A1 ARG 61 HD2 0.01 -0.02 -0.01 -0.04 3.22 3.16 2wk7A1 ARG 61 HD3 0.01 -0.14 -0.11 -0.04 3.22 2.93 2wk7A1 LEU 62 H 0.02 0.56 -0.09 -0.55 8.37 8.31 2wk7A1 LEU 62 HA 0.08 0.04 0.50 -0.75 4.35 4.21 2wk7A1 LEU 62 HB2 0.04 0.13 0.17 -0.04 1.64 1.94 2wk7A1 LEU 62 HB3 0.08 -0.01 -0.02 -0.04 1.64 1.65 2wk7A1 LEU 62 HG -0.03 -0.02 0.06 -0.04 1.64 1.60 2wk7A1 LEU 62 HD13 0.09 -0.00 -0.02 -0.04 0.93 0.96 2wk7A1 LEU 62 HD23 0.15 0.01 0.03 -0.04 0.89 1.04 2wk7A1 ALA 63 H 0.01 0.62 -0.09 -0.55 8.40 8.40 2wk7A1 ALA 63 HA -0.05 -0.02 0.32 -0.75 4.34 3.83 2wk7A1 ALA 63 HB3 -0.01 0.02 0.11 -0.04 1.41 1.49 2wk7A1 LYS 64 H -0.00 0.76 -0.04 -0.55 8.42 8.59 2wk7A1 LYS 64 HA -0.01 0.01 0.32 -0.75 4.32 3.88 2wk7A1 LYS 64 HB2 -0.00 0.10 0.11 -0.04 1.87 2.04 2wk7A1 LYS 64 HB3 0.00 -0.01 0.14 -0.04 1.79 1.88 2wk7A1 LYS 64 HG2 -0.00 -0.00 -0.15 -0.04 1.46 1.26 2wk7A1 LYS 64 HG3 -0.00 -0.02 0.01 -0.04 1.46 1.40 2wk7A1 LYS 64 HD2 0.00 -0.02 -0.04 -0.04 1.69 1.59 2wk7A1 LYS 64 HD3 0.00 -0.02 -0.04 -0.04 1.68 1.58 2wk7A1 LYS 64 HE2 0.01 -0.03 -0.04 -0.04 2.99 2.89 2wk7A1 LYS 64 HE3 0.01 0.04 -0.06 -0.04 2.99 2.93 2wk7A1 SER 65 H 0.01 0.63 -0.12 -0.55 8.46 8.43 2wk7A1 SER 65 HA 0.01 0.03 0.45 -0.75 4.49 4.22 2wk7A1 SER 65 HB2 0.05 -0.09 0.10 -0.04 3.95 3.98 2wk7A1 SER 65 HB3 0.03 0.03 0.14 -0.04 3.93 4.09 2wk7A1 LEU 66 H -0.09 0.62 -0.16 -0.55 8.37 8.20 2wk7A1 LEU 66 HA -0.39 -0.07 0.50 -0.75 4.35 3.63 2wk7A1 LEU 66 HB2 -0.66 -0.03 0.09 -0.04 1.64 1.01 2wk7A1 LEU 66 HB3 -0.22 0.15 0.16 -0.04 1.64 1.69 2wk7A1 LEU 66 HG -0.68 -0.09 0.04 -0.04 1.64 0.87 2wk7A1 LEU 66 HD13 -0.22 -0.02 -0.04 -0.04 0.93 0.60 2wk7A1 LEU 66 HD23 -0.15 0.00 -0.27 -0.04 0.89 0.44 2wk7A1 LEU 67 H -0.07 0.55 -0.25 -0.55 8.37 8.05 2wk7A1 LEU 67 HA -0.05 0.02 0.47 -0.75 4.35 4.04 2wk7A1 LEU 67 HB2 -0.03 0.15 0.11 -0.04 1.64 1.82 2wk7A1 LEU 67 HB3 -0.02 -0.07 0.10 -0.04 1.64 1.60 2wk7A1 LEU 67 HG -0.05 0.07 0.01 -0.04 1.64 1.62 2wk7A1 LEU 67 HD13 -0.02 -0.03 -0.04 -0.04 0.93 0.79 2wk7A1 LEU 67 HD23 -0.03 -0.02 -0.01 -0.04 0.89 0.78 2wk7A1 GLU 68 H -0.03 0.35 -0.56 -0.55 8.60 7.82 2wk7A1 GLU 68 HA -0.01 0.04 0.29 -0.75 4.29 3.87 2wk7A1 GLU 68 HB2 0.00 0.19 0.21 -0.04 2.09 2.45 2wk7A1 GLU 68 HB3 0.01 -0.07 -0.04 -0.04 1.99 1.86 2wk7A1 GLU 68 HG2 0.00 -0.04 0.03 -0.04 2.34 2.29 2wk7A1 GLU 68 HG3 -0.00 0.12 -0.01 -0.04 2.34 2.42 2wk7A1 GLU 69 H 0.00 0.31 -0.02 -0.55 8.60 8.35 2wk7A1 GLU 69 HA 0.01 0.04 0.41 -0.75 4.29 3.99 2wk7A1 GLU 69 HB2 0.01 0.27 -0.19 -0.04 2.09 2.14 2wk7A1 GLU 69 HB3 0.02 -0.07 -0.22 -0.04 1.99 1.67 2wk7A1 GLU 69 HG2 0.02 -0.25 0.23 -0.04 2.34 2.30 2wk7A1 GLU 69 HG3 0.01 -0.01 0.13 -0.04 2.34 2.43 2wk7A1 GLN 70 H 0.02 0.14 0.15 -0.55 8.47 8.24 2wk7A1 GLN 70 HA 0.06 0.12 0.77 -0.75 4.36 4.55 2wk7A1 GLN 70 HB2 0.07 -0.04 0.01 -0.04 2.15 2.14 2wk7A1 GLN 70 HB3 0.05 0.04 0.09 -0.04 2.02 2.15 2wk7A1 GLN 70 HG2 0.03 0.02 0.13 -0.04 2.40 2.53 2wk7A1 GLN 70 HG3 0.03 -0.03 -0.13 -0.04 2.39 2.23 2wk7A1 GLN 70 HE21 0.02 0.01 0.01 -0.04 6.97 6.98 2wk7A1 GLN 70 HE22 0.02 0.02 0.03 -0.04 7.69 7.72 2wk7A1 GLN 71 H 0.03 0.27 0.07 -0.55 8.47 8.30 2wk7A1 GLN 71 HA 0.02 0.13 0.13 -0.75 4.36 3.89 2wk7A1 GLN 71 HB2 0.01 0.07 0.07 -0.04 2.15 2.26 2wk7A1 GLN 71 HB3 -0.01 -0.05 0.18 -0.04 2.02 2.10 2wk7A1 GLN 71 HG2 0.01 -0.00 -0.10 -0.04 2.40 2.27 2wk7A1 GLN 71 HG3 0.02 0.05 0.08 -0.04 2.39 2.49 2wk7A1 GLN 71 HE21 0.03 0.02 -0.01 -0.04 6.97 6.97 2wk7A1 GLN 71 HE22 0.02 -0.00 -0.01 -0.04 7.69 7.65 2wk7A1 SER 72 H 0.05 0.20 -0.05 -0.55 8.46 8.11 2wk7A1 SER 72 HA 0.17 0.05 0.49 -0.75 4.49 4.45 2wk7A1 SER 72 HB2 0.08 0.01 0.16 -0.04 3.95 4.15 2wk7A1 SER 72 HB3 0.10 0.05 0.24 -0.04 3.93 4.29 2wk7A1 LEU 73 H -0.21 0.54 0.32 -0.55 8.37 8.47 2wk7A1 LEU 73 HA -0.03 0.19 0.64 -0.75 4.35 4.40 2wk7A1 LEU 73 HB2 -0.17 -0.01 0.16 -0.04 1.64 1.58 2wk7A1 LEU 73 HB3 -0.07 0.03 0.14 -0.04 1.64 1.71 2wk7A1 LEU 73 HG -0.04 0.01 -0.18 -0.04 1.64 1.39 2wk7A1 LEU 73 HD13 -0.01 0.00 0.02 -0.04 0.93 0.89 2wk7A1 LEU 73 HD23 0.00 0.02 -0.38 -0.04 0.89 0.50 2wk7A1 PHE 74 H 0.12 0.10 -0.49 -0.55 8.34 7.51 2wk7A1 PHE 74 HA 0.03 0.09 0.75 -0.75 4.62 4.73 2wk7A1 PHE 74 HB2 0.02 0.01 0.15 -0.04 3.15 3.29 2wk7A1 PHE 74 HB3 0.02 0.01 0.07 -0.04 3.06 3.12 2wk7A1 PHE 74 HD2 0.02 -0.00 0.02 -0.04 7.28 7.28 2wk7A1 PHE 74 HE2 0.04 -0.00 0.02 -0.04 7.38 7.39 2wk7A1 PHE 74 HZ 0.07 0.00 0.02 -0.04 7.32 7.37 2wk7A1 MET 75 H 0.07 0.47 0.22 -0.55 8.47 8.68 2wk7A1 MET 75 HA 0.14 0.05 0.47 -0.75 4.52 4.43 2wk7A1 MET 75 HB2 0.18 -0.05 0.09 -0.04 2.15 2.33 2wk7A1 MET 75 HB3 0.05 0.11 -0.27 -0.04 2.03 1.88 2wk7A1 MET 75 HG2 0.06 0.05 -0.31 -0.04 2.63 2.39 2wk7A1 MET 75 HG3 0.20 0.23 -0.26 -0.04 2.56 2.69 2wk7A1 MET 75 HE3 0.01 -0.05 -0.17 -0.04 2.10 1.86 2wk7A1 SER 76 H 0.32 0.12 0.12 -0.55 8.46 8.47 2wk7A1 SER 76 HA 0.01 0.16 0.47 -0.75 4.49 4.37 2wk7A1 SER 76 HB2 -0.08 0.51 0.26 -0.04 3.95 4.60 2wk7A1 SER 76 HB3 0.03 -0.10 0.21 -0.04 3.93 4.03 2wk7A1 ALA 77 H -0.09 0.37 0.27 -0.55 8.40 8.40 2wk7A1 ALA 77 HA -0.06 0.08 0.55 -0.75 4.34 4.16 2wk7A1 ALA 77 HB3 -0.12 0.02 0.16 -0.04 1.41 1.44 2wk7A1 SER 78 H -0.28 0.18 -0.14 -0.55 8.46 7.66 2wk7A1 SER 78 HA -0.48 0.13 0.41 -0.75 4.49 3.80 2wk7A1 SER 78 HB2 -0.68 -0.08 0.02 -0.04 3.95 3.17 2wk7A1 SER 78 HB3 -0.16 -0.01 0.04 -0.04 3.93 3.77 2wk7A1 PHE 79 H -0.21 0.28 -0.39 -0.55 8.34 7.47 2wk7A1 PHE 79 HA 0.05 0.06 0.39 -0.75 4.62 4.36 2wk7A1 PHE 79 HB2 -0.00 0.15 0.01 -0.04 3.15 3.27 2wk7A1 PHE 79 HB3 0.02 -0.04 0.07 -0.04 3.06 3.07 2wk7A1 PHE 79 HD2 0.01 0.03 0.04 -0.04 7.28 7.32 2wk7A1 PHE 79 HE2 0.01 -0.03 0.03 -0.04 7.38 7.35 2wk7A1 PHE 79 HZ 0.01 0.01 0.01 -0.04 7.32 7.31 2wk7A1 LEU 80 H 0.00 0.40 -0.54 -0.55 8.37 7.69 2wk7A1 LEU 80 HA 0.03 0.10 0.89 -0.75 4.35 4.62 2wk7A1 LEU 80 HB2 -0.03 0.04 0.19 -0.04 1.64 1.80 2wk7A1 LEU 80 HB3 -0.00 0.01 0.17 -0.04 1.64 1.78 2wk7A1 LEU 80 HG 0.07 0.01 -0.13 -0.04 1.64 1.56 2wk7A1 LEU 80 HD13 -0.01 -0.01 0.02 -0.04 0.93 0.89 2wk7A1 LEU 80 HD23 0.07 0.03 -0.19 -0.04 0.89 0.75 2wk7A1 GLN 81 H 0.01 0.20 -0.29 -0.55 8.47 7.85 2wk7A1 GLN 81 HA -0.09 0.22 0.86 -0.75 4.36 4.60 2wk7A1 GLN 81 HB2 0.16 0.07 0.04 -0.04 2.15 2.38 2wk7A1 GLN 81 HB3 0.02 -0.05 0.10 -0.04 2.02 2.05 2wk7A1 GLN 81 HG2 -0.26 0.17 -0.07 -0.04 2.40 2.19 2wk7A1 GLN 81 HG3 -0.71 -0.04 -0.04 -0.04 2.39 1.56 2wk7A1 GLN 81 HE21 -0.17 -0.15 -0.02 -0.04 6.97 6.60 2wk7A1 GLN 81 HE22 -0.21 0.37 -0.13 -0.04 7.69 7.68 2wk7A1 ASN 82 H -0.12 0.07 -0.04 -0.55 8.53 7.89 2wk7A1 ASN 82 HA -0.17 0.11 0.60 -0.75 4.76 4.54 2wk7A1 ASN 82 HB2 -0.64 0.04 0.09 -0.04 2.88 2.33 2wk7A1 ASN 82 HB3 -1.18 -0.12 0.05 -0.04 2.79 1.49 2wk7A1 ASN 82 HD21 0.08 0.03 0.03 -0.04 7.03 7.13 2wk7A1 ASN 82 HD22 0.06 0.00 0.04 -0.04 7.74 7.80 2wk7A1 ASP 83 H -0.18 0.14 0.17 -0.55 8.40 7.99 2wk7A1 ASP 83 HA -0.08 0.17 0.26 -0.75 4.63 4.23 2wk7A1 ASP 83 HB2 -0.00 0.04 0.09 -0.04 2.71 2.80 2wk7A1 ASP 83 HB3 -0.02 0.05 0.13 -0.04 2.70 2.82 2wk7A1 TYR 84 H -0.38 0.02 -0.23 -0.55 8.29 7.15 2wk7A1 TYR 84 HA 0.01 0.15 0.60 -0.75 4.56 4.57 2wk7A1 TYR 84 HB2 0.01 0.04 0.05 -0.04 3.06 3.11 2wk7A1 TYR 84 HB3 0.01 -0.01 0.05 -0.04 2.98 2.99 2wk7A1 TYR 84 HD2 0.01 0.03 -0.20 -0.04 7.15 6.96 2wk7A1 TYR 84 HE2 0.02 0.03 -0.03 -0.04 6.85 6.83 2wk7A1 ASP 85 H -0.35 0.28 -0.53 -0.55 8.40 7.24 2wk7A1 ASP 85 HA 0.08 0.08 0.57 -0.75 4.63 4.60 2wk7A1 ASP 85 HB2 -0.19 0.09 -0.15 -0.04 2.71 2.41 2wk7A1 ASP 85 HB3 -0.04 0.06 0.03 -0.04 2.70 2.71 2wk7A1 LYS 86 H -0.06 0.16 -0.36 -0.55 8.42 7.61 2wk7A1 LYS 86 HA -0.05 0.16 0.67 -0.75 4.32 4.35 2wk7A1 LYS 86 HB2 -0.04 0.00 0.09 -0.04 1.87 1.88 2wk7A1 LYS 86 HB3 -0.05 -0.07 0.03 -0.04 1.79 1.65 2wk7A1 LYS 86 HG2 -0.08 0.01 0.03 -0.04 1.46 1.38 2wk7A1 LYS 86 HG3 -0.09 0.13 -0.19 -0.04 1.46 1.27 2wk7A1 LYS 86 HD2 -0.06 0.22 -0.02 -0.04 1.69 1.79 2wk7A1 LYS 86 HD3 -0.05 -0.11 -0.09 -0.04 1.68 1.39 2wk7A1 LYS 86 HE2 -0.04 -0.03 -0.00 -0.04 2.99 2.88 2wk7A1 LYS 86 HE3 -0.05 -0.05 0.01 -0.04 2.99 2.86 2wk7A1 PRO 87 HA -0.01 0.11 0.27 -0.51 4.44 4.30 2wk7A1 PRO 87 HB2 -0.04 -0.22 0.05 -0.04 2.28 2.02 2wk7A1 PRO 87 HB3 -0.03 0.04 0.13 -0.04 2.02 2.12 2wk7A1 PRO 87 HG2 -0.06 -0.04 0.12 -0.04 2.03 2.00 2wk7A1 PRO 87 HG3 -0.05 0.18 0.16 -0.04 2.03 2.29 2wk7A1 PRO 87 HD2 -0.06 0.00 0.19 -0.04 3.68 3.77 2wk7A1 PRO 87 HD3 -0.06 0.32 0.36 -0.04 3.65 4.23 2wk7A1 MET 88 H 0.00 0.20 0.17 -0.55 8.47 8.29 2wk7A1 MET 88 HA 0.01 0.17 0.49 -0.75 4.52 4.44 2wk7A1 MET 88 HB2 0.01 0.10 0.13 -0.04 2.15 2.35 2wk7A1 MET 88 HB3 0.01 -0.00 0.03 -0.04 2.03 2.03 2wk7A1 MET 88 HG2 0.03 -0.11 0.15 -0.04 2.63 2.65 2wk7A1 MET 88 HG3 0.02 0.08 0.06 -0.04 2.56 2.68 2wk7A1 MET 88 HE3 0.03 0.01 -0.02 -0.04 2.10 2.08 2wk7A1 ILE 89 H -0.01 0.08 -0.30 -0.55 8.25 7.47 2wk7A1 ILE 89 HA 0.02 0.11 0.45 -0.75 4.18 4.00 2wk7A1 ILE 89 HB -0.01 0.10 0.02 -0.04 1.89 1.95 2wk7A1 ILE 89 HG12 -0.02 0.01 -0.10 -0.04 1.49 1.34 2wk7A1 ILE 89 HG13 -0.00 -0.04 -0.20 -0.04 1.21 0.93 2wk7A1 ILE 89 HG23 -0.04 -0.01 -0.08 -0.04 0.93 0.75 2wk7A1 ILE 89 HD13 0.05 0.01 -0.16 -0.04 0.88 0.73 2wk7A1 GLU 90 H -0.03 0.39 -0.34 -0.55 8.60 8.08 2wk7A1 GLU 90 HA -0.08 -0.01 0.29 -0.75 4.29 3.74 2wk7A1 GLU 90 HB2 -0.05 0.23 0.10 -0.04 2.09 2.34 2wk7A1 GLU 90 HB3 -0.08 0.17 -0.03 -0.04 1.99 2.01 2wk7A1 GLU 90 HG2 -0.17 -0.13 -0.20 -0.04 2.34 1.79 2wk7A1 GLU 90 HG3 -0.10 -0.09 -0.02 -0.04 2.34 2.09 2wk7A1 LYS 91 H 0.01 0.22 -0.16 -0.55 8.42 7.94 2wk7A1 LYS 91 HA 0.06 0.08 0.43 -0.75 4.32 4.14 2wk7A1 LYS 91 HB2 0.03 0.07 0.13 -0.04 1.87 2.07 2wk7A1 LYS 91 HB3 0.05 0.02 0.05 -0.04 1.79 1.86 2wk7A1 LYS 91 HG2 0.02 0.04 0.03 -0.04 1.46 1.52 2wk7A1 LYS 91 HG3 0.03 0.03 0.04 -0.04 1.46 1.52 2wk7A1 LYS 91 HD2 0.01 -0.11 -0.15 -0.04 1.69 1.40 2wk7A1 LYS 91 HD3 0.00 0.06 0.08 -0.04 1.68 1.78 2wk7A1 LYS 91 HE2 0.01 -0.00 -0.00 -0.04 2.99 2.95 2wk7A1 LYS 91 HE3 -0.02 -0.01 -0.02 -0.04 2.99 2.91 2wk7A1 ARG 92 H 0.06 0.43 -0.26 -0.55 8.46 8.13 2wk7A1 ARG 92 HA 0.10 0.06 0.42 -0.75 4.34 4.17 2wk7A1 ARG 92 HB2 0.06 0.00 0.12 -0.04 1.90 2.04 2wk7A1 ARG 92 HB3 0.07 -0.01 -0.03 -0.04 1.80 1.78 2wk7A1 ARG 92 HG2 0.04 0.14 0.05 -0.04 1.67 1.86 2wk7A1 ARG 92 HG3 0.03 -0.09 -0.08 -0.04 1.67 1.49 2wk7A1 ARG 92 HD2 0.05 0.01 -0.02 -0.04 3.22 3.22 2wk7A1 ARG 92 HD3 0.03 -0.01 -0.04 -0.04 3.22 3.16 2wk7A1 LEU 93 H 0.13 0.70 -0.09 -0.55 8.37 8.56 2wk7A1 LEU 93 HA 0.43 0.03 0.46 -0.75 4.35 4.52 2wk7A1 LEU 93 HB2 0.11 0.08 0.09 -0.04 1.64 1.88 2wk7A1 LEU 93 HB3 0.60 -0.09 -0.10 -0.04 1.64 2.01 2wk7A1 LEU 93 HG 0.11 0.15 0.01 -0.04 1.64 1.87 2wk7A1 LEU 93 HD13 -0.10 -0.04 -0.17 -0.04 0.93 0.57 2wk7A1 LEU 93 HD23 0.29 -0.01 -0.08 -0.04 0.89 1.04 2wk7A1 ALA 94 H 0.22 0.67 -0.18 -0.55 8.40 8.56 2wk7A1 ALA 94 HA 0.56 -0.11 0.22 -0.75 4.34 4.26 2wk7A1 ALA 94 HB3 0.18 0.06 -0.05 -0.04 1.41 1.57 2wk7A1 LYS 95 H 0.19 0.47 -0.22 -0.55 8.42 8.30 2wk7A1 LYS 95 HA 0.11 0.03 0.28 -0.75 4.32 3.99 2wk7A1 LYS 95 HB2 0.10 -0.01 0.08 -0.04 1.87 2.00 2wk7A1 LYS 95 HB3 0.14 0.09 0.15 -0.04 1.79 2.12 2wk7A1 LYS 95 HG2 0.12 0.03 -0.29 -0.04 1.46 1.28 2wk7A1 LYS 95 HG3 0.08 -0.03 -0.00 -0.04 1.46 1.46 2wk7A1 LYS 95 HD2 0.07 -0.02 -0.02 -0.04 1.69 1.68 2wk7A1 LYS 95 HD3 0.09 -0.01 -0.03 -0.04 1.68 1.69 2wk7A1 LYS 95 HE2 0.08 0.01 -0.06 -0.04 2.99 2.97 2wk7A1 LYS 95 HE3 0.05 -0.01 -0.03 -0.04 2.99 2.96 2wk7A1 PHE 96 H 0.34 0.42 -0.32 -0.55 8.34 8.22 2wk7A1 PHE 96 HA 0.07 0.01 0.36 -0.75 4.62 4.30 2wk7A1 PHE 96 HB2 0.13 0.02 0.07 -0.04 3.15 3.34 2wk7A1 PHE 96 HB3 0.18 0.07 0.16 -0.04 3.06 3.42 2wk7A1 PHE 96 HD2 0.13 -0.03 -0.03 -0.04 7.28 7.30 2wk7A1 PHE 96 HE2 0.15 0.01 -0.11 -0.04 7.38 7.39 2wk7A1 PHE 96 HZ 0.09 0.06 -0.53 -0.04 7.32 6.90 2wk7A1 THR 97 H 0.10 0.45 -0.21 -0.55 8.28 8.08 2wk7A1 THR 97 HA -0.43 0.21 0.91 -0.75 4.39 4.34 2wk7A1 THR 97 HB -0.35 -0.14 0.05 -0.04 4.32 3.84 2wk7A1 THR 97 HG23 -0.68 0.02 -0.06 -0.04 1.22 0.46 2wk7A1 GLY 98 H 0.06 0.53 -0.05 -0.55 8.43 8.43 2wk7A1 GLY 98 HA2 -0.01 0.06 0.24 -0.51 4.01 3.79 2wk7A1 GLY 98 HA3 -0.09 0.04 0.61 -0.51 4.01 4.06 2wk7A1 PHE 99 H 0.31 0.03 -0.20 -0.55 8.34 7.93 2wk7A1 PHE 99 HA 0.02 0.15 0.54 -0.75 4.62 4.57 2wk7A1 PHE 99 HB2 0.26 -0.02 -0.07 -0.04 3.15 3.28 2wk7A1 PHE 99 HB3 0.21 -0.02 -0.18 -0.04 3.06 3.03 2wk7A1 PHE 99 HD2 -0.08 -0.06 -0.40 -0.04 7.28 6.71 2wk7A1 PHE 99 HE2 -0.10 -0.04 -0.34 -0.04 7.38 6.86 2wk7A1 PHE 99 HZ -0.04 -0.10 -0.27 -0.04 7.32 6.87 2wk7A1 ASP 100 H 0.15 0.13 0.21 -0.55 8.40 8.34 2wk7A1 ASP 100 HA 0.08 0.08 0.36 -0.75 4.63 4.40 2wk7A1 ASP 100 HB2 0.10 0.09 0.20 -0.04 2.71 3.05 2wk7A1 ASP 100 HB3 0.06 -0.03 0.04 -0.04 2.70 2.73 2wk7A1 GLU 101 H 0.26 0.32 0.04 -0.55 8.60 8.67 2wk7A1 GLU 101 HA 0.09 0.21 1.00 -0.75 4.29 4.83 2wk7A1 GLU 101 HB2 0.11 -0.12 0.16 -0.04 2.09 2.20 2wk7A1 GLU 101 HB3 0.04 0.03 -0.04 -0.04 1.99 1.98 2wk7A1 GLU 101 HG2 0.08 -0.02 -0.61 -0.04 2.34 1.75 2wk7A1 GLU 101 HG3 0.08 0.13 -0.02 -0.04 2.34 2.48 2wk7A1 CYS 102 H 0.01 0.24 0.15 -0.55 8.50 8.35 2wk7A1 CYS 102 HA -0.39 0.31 1.11 -0.75 4.58 4.86 2wk7A1 CYS 102 HB2 -0.18 -0.01 -0.10 -0.04 2.97 2.64 2wk7A1 CYS 102 HB3 -0.14 0.16 0.14 -0.04 2.97 3.09 2wk7A1 LEU 103 H -0.45 0.49 0.34 -0.55 8.37 8.20 2wk7A1 LEU 103 HA -0.18 0.17 0.80 -0.75 4.35 4.38 2wk7A1 LEU 103 HB2 -0.13 0.08 -0.07 -0.04 1.64 1.47 2wk7A1 LEU 103 HB3 -0.18 -0.09 0.07 -0.04 1.64 1.40 2wk7A1 LEU 103 HG -0.17 0.11 -0.19 -0.04 1.64 1.36 2wk7A1 LEU 103 HD13 -0.14 0.03 0.07 -0.04 0.93 0.85 2wk7A1 LEU 103 HD23 -0.15 -0.02 -0.11 -0.04 0.89 0.58 2wk7A1 LEU 104 H -0.17 0.21 0.16 -0.55 8.37 8.03 2wk7A1 LEU 104 HA -0.23 0.12 0.65 -0.75 4.35 4.14 2wk7A1 LEU 104 HB2 -0.13 -0.01 0.14 -0.04 1.64 1.59 2wk7A1 LEU 104 HB3 -0.11 0.04 0.01 -0.04 1.64 1.53 2wk7A1 LEU 104 HG -0.10 0.06 0.05 -0.04 1.64 1.61 2wk7A1 LEU 104 HD13 -0.17 -0.01 -0.12 -0.04 0.93 0.60 2wk7A1 LEU 104 HD23 -0.07 -0.01 -0.04 -0.04 0.89 0.73 2wk7A1 SER 105 H -0.13 0.75 0.42 -0.55 8.46 8.96 2wk7A1 SER 105 HA -0.08 0.25 0.80 -0.75 4.49 4.70 2wk7A1 SER 105 HB2 -0.11 0.13 -0.31 -0.04 3.95 3.62 2wk7A1 SER 105 HB3 -0.09 -0.09 -0.21 -0.04 3.93 3.50 2wk7A1 GLN 106 H -0.02 0.21 0.09 -0.55 8.47 8.20 2wk7A1 GLN 106 HA -0.04 0.17 0.41 -0.75 4.36 4.15 2wk7A1 GLN 106 HB2 0.01 -0.08 0.00 -0.04 2.15 2.03 2wk7A1 GLN 106 HB3 -0.02 0.07 0.10 -0.04 2.02 2.13 2wk7A1 GLN 106 HG2 -0.01 0.39 0.03 -0.04 2.40 2.77 2wk7A1 GLN 106 HG3 -0.03 -0.14 0.01 -0.04 2.39 2.19 2wk7A1 GLN 106 HE21 -0.00 0.27 -0.09 -0.04 6.97 7.10 2wk7A1 GLN 106 HE22 -0.00 0.33 -0.38 -0.04 7.69 7.60 2wk7A1 SER 107 H 0.00 0.17 -0.27 -0.55 8.46 7.82 2wk7A1 SER 107 HA 0.00 0.14 0.14 -0.75 4.49 4.02 2wk7A1 SER 107 HB2 0.06 -0.05 0.10 -0.04 3.95 4.02 2wk7A1 SER 107 HB3 0.02 0.36 -0.27 -0.04 3.93 4.00 2wk7A1 GLY 108 H 0.05 0.23 0.10 -0.55 8.43 8.26 2wk7A1 GLY 108 HA2 0.00 0.19 0.47 -0.51 4.01 4.17 2wk7A1 GLY 108 HA3 0.02 0.01 0.35 -0.51 4.01 3.88 2wk7A1 TRP 109 H 0.28 0.14 -0.10 -0.55 7.97 7.74 2wk7A1 TRP 109 HA 0.07 0.03 0.32 -0.75 4.62 4.29 2wk7A1 TRP 109 HB2 0.09 0.02 0.06 -0.04 3.23 3.36 2wk7A1 TRP 109 HB3 0.05 0.00 0.02 -0.04 3.23 3.27 2wk7A1 TRP 109 HD1 0.08 -0.00 -0.37 -0.04 7.22 6.90 2wk7A1 TRP 109 HE1 0.21 0.10 -0.11 -0.04 10.20 10.36 2wk7A1 TRP 109 HE3 0.24 -0.06 -0.02 -0.04 7.59 7.71 2wk7A1 TRP 109 HZ2 0.16 0.10 -0.10 -0.04 7.44 7.56 2wk7A1 TRP 109 HZ3 0.06 -0.02 -0.09 -0.04 7.13 7.04 2wk7A1 TRP 109 HH2 0.05 0.08 -0.14 -0.04 7.19 7.14 2wk7A1 ASN 110 H 0.27 0.06 -0.33 -0.55 8.53 7.99 2wk7A1 ASN 110 HA 0.20 0.10 0.35 -0.75 4.76 4.66 2wk7A1 ASN 110 HB2 0.08 -0.12 -0.02 -0.04 2.88 2.78 2wk7A1 ASN 110 HB3 0.06 0.07 -0.12 -0.04 2.79 2.76 2wk7A1 ASN 110 HD21 0.08 0.13 -0.07 -0.04 7.03 7.12 2wk7A1 ASN 110 HD22 0.05 -0.03 -0.08 -0.04 7.74 7.64 2wk7A1 ALA 111 H 0.02 0.35 -0.37 -0.55 8.40 7.85 2wk7A1 ALA 111 HA -0.07 0.06 0.24 -0.75 4.34 3.81 2wk7A1 ALA 111 HB3 -0.07 0.03 -0.00 -0.04 1.41 1.33 2wk7A1 ASN 112 H -0.07 0.38 -0.35 -0.55 8.53 7.94 2wk7A1 ASN 112 HA -0.12 0.04 0.26 -0.75 4.76 4.19 2wk7A1 ASN 112 HB2 -0.21 0.07 0.02 -0.04 2.88 2.72 2wk7A1 ASN 112 HB3 -0.21 0.08 -0.29 -0.04 2.79 2.33 2wk7A1 ASN 112 HD21 -0.05 -0.11 -0.12 -0.04 7.03 6.72 2wk7A1 ASN 112 HD22 -0.08 -0.09 -0.20 -0.04 7.74 7.33 2wk7A1 VAL 113 H -0.18 0.51 0.04 -0.55 8.24 8.05 2wk7A1 VAL 113 HA -0.12 0.05 0.55 -0.75 4.13 3.86 2wk7A1 VAL 113 HB 0.08 -0.06 0.10 -0.04 2.12 2.19 2wk7A1 VAL 113 HG13 0.24 0.02 -0.14 -0.04 0.97 1.04 2wk7A1 VAL 113 HG23 -0.22 0.01 -0.03 -0.04 0.95 0.66 2wk7A1 GLY 114 H -0.02 0.69 -0.10 -0.55 8.43 8.46 2wk7A1 GLY 114 HA2 -0.01 -0.04 0.35 -0.51 4.01 3.80 2wk7A1 GLY 114 HA3 -0.04 0.05 0.26 -0.51 4.01 3.77 2wk7A1 LEU 115 H -0.11 0.45 -0.23 -0.55 8.37 7.93 2wk7A1 LEU 115 HA -0.16 0.03 0.37 -0.75 4.35 3.83 2wk7A1 LEU 115 HB2 -0.17 -0.00 0.05 -0.04 1.64 1.47 2wk7A1 LEU 115 HB3 -0.18 0.06 0.06 -0.04 1.64 1.54 2wk7A1 LEU 115 HG -0.45 0.04 -0.28 -0.04 1.64 0.91 2wk7A1 LEU 115 HD13 -0.53 -0.01 -0.06 -0.04 0.93 0.30 2wk7A1 LEU 115 HD23 -0.34 -0.02 -0.13 -0.04 0.89 0.36 2wk7A1 LEU 116 H -0.14 0.46 -0.20 -0.55 8.37 7.94 2wk7A1 LEU 116 HA -0.16 0.02 0.38 -0.75 4.35 3.83 2wk7A1 LEU 116 HB2 -0.13 0.07 0.06 -0.04 1.64 1.59 2wk7A1 LEU 116 HB3 -0.13 0.05 -0.26 -0.04 1.64 1.26 2wk7A1 LEU 116 HG -0.17 0.05 0.00 -0.04 1.64 1.49 2wk7A1 LEU 116 HD13 -0.19 -0.06 -0.03 -0.04 0.93 0.61 2wk7A1 LEU 116 HD23 -0.15 -0.01 -0.12 -0.04 0.89 0.57 2wk7A1 GLN 117 H -0.08 0.46 -0.22 -0.55 8.47 8.08 2wk7A1 GLN 117 HA -0.07 0.10 0.37 -0.75 4.36 4.00 2wk7A1 GLN 117 HB2 -0.05 -0.02 0.07 -0.04 2.15 2.11 2wk7A1 GLN 117 HB3 -0.06 0.06 0.05 -0.04 2.02 2.02 2wk7A1 GLN 117 HG2 -0.11 0.06 -0.21 -0.04 2.40 2.10 2wk7A1 GLN 117 HG3 -0.15 0.06 0.03 -0.04 2.39 2.28 2wk7A1 GLN 117 HE21 -1.23 -0.14 0.10 -0.04 6.97 5.66 2wk7A1 GLN 117 HE22 -0.50 0.08 0.04 -0.04 7.69 7.27 2wk7A1 THR 118 H -0.09 0.19 -0.45 -0.55 8.28 7.38 2wk7A1 THR 118 HA -0.04 0.12 0.35 -0.75 4.39 4.06 2wk7A1 THR 118 HB -0.10 0.03 0.09 -0.04 4.32 4.31 2wk7A1 THR 118 HG23 -0.02 -0.02 -0.16 -0.04 1.22 0.98 2wk7A1 ILE 119 H -0.12 0.36 -0.09 -0.55 8.25 7.85 2wk7A1 ILE 119 HA -0.02 0.13 0.61 -0.75 4.18 4.14 2wk7A1 ILE 119 HB -0.02 -0.04 0.05 -0.04 1.89 1.84 2wk7A1 ILE 119 HG12 -0.20 0.27 0.10 -0.04 1.49 1.62 2wk7A1 ILE 119 HG13 -0.12 0.05 -0.17 -0.04 1.21 0.93 2wk7A1 ILE 119 HG23 -0.22 -0.02 -0.07 -0.04 0.93 0.58 2wk7A1 ILE 119 HD13 -0.36 -0.06 -0.15 -0.04 0.88 0.28 2wk7A1 CYS 120 H -0.07 0.28 -0.38 -0.55 8.50 7.78 2wk7A1 CYS 120 HA -0.05 0.03 0.58 -0.75 4.58 4.39 2wk7A1 CYS 120 HB2 -0.07 0.20 0.07 -0.04 2.97 3.12 2wk7A1 CYS 120 HB3 -0.07 0.08 -0.15 -0.04 2.97 2.80 2wk7A1 GLN 121 H -0.03 0.08 0.20 -0.55 8.47 8.17 2wk7A1 GLN 121 HA -0.03 0.25 0.70 -0.75 4.36 4.53 2wk7A1 GLN 121 HB2 -0.02 -0.09 0.10 -0.04 2.15 2.10 2wk7A1 GLN 121 HB3 -0.01 -0.03 0.11 -0.04 2.02 2.05 2wk7A1 GLN 121 HG2 -0.01 0.04 -0.11 -0.04 2.40 2.27 2wk7A1 GLN 121 HG3 -0.01 -0.03 0.01 -0.04 2.39 2.32 2wk7A1 GLN 121 HE21 -0.00 -0.01 -0.01 -0.04 6.97 6.91 2wk7A1 GLN 121 HE22 -0.00 -0.05 -0.04 -0.04 7.69 7.56 2wk7A1 PRO 122 HA -0.04 0.26 0.13 -0.51 4.44 4.29 2wk7A1 PRO 122 HB2 -0.01 -0.07 0.03 -0.04 2.28 2.18 2wk7A1 PRO 122 HB3 -0.02 0.06 0.12 -0.04 2.02 2.14 2wk7A1 PRO 122 HG2 -0.01 -0.04 0.09 -0.04 2.03 2.03 2wk7A1 PRO 122 HG3 -0.02 0.13 0.08 -0.04 2.03 2.19 2wk7A1 PRO 122 HD2 -0.01 0.01 0.21 -0.04 3.68 3.84 2wk7A1 PRO 122 HD3 -0.02 0.21 0.19 -0.04 3.65 3.98 2wk7A1 ASN 123 H -0.02 0.02 -0.31 -0.55 8.53 7.67 2wk7A1 ASN 123 HA -0.02 0.16 0.54 -0.75 4.76 4.68 2wk7A1 ASN 123 HB2 0.00 0.03 0.09 -0.04 2.88 2.96 2wk7A1 ASN 123 HB3 -0.00 -0.04 0.05 -0.04 2.79 2.76 2wk7A1 ASN 123 HD21 0.00 -0.01 -0.04 -0.04 7.03 6.95 2wk7A1 ASN 123 HD22 0.01 0.01 -0.02 -0.04 7.74 7.70 2wk7A1 THR 124 H -0.04 0.56 -0.39 -0.55 8.28 7.86 2wk7A1 THR 124 HA -0.03 0.01 0.16 -0.75 4.39 3.78 2wk7A1 THR 124 HB -0.06 0.07 0.12 -0.04 4.32 4.41 2wk7A1 THR 124 HG23 -0.04 0.03 -0.09 -0.04 1.22 1.08 2wk7A1 ASN 125 H -0.03 0.17 0.23 -0.55 8.53 8.34 2wk7A1 ASN 125 HA -0.14 0.28 0.70 -0.75 4.76 4.84 2wk7A1 ASN 125 HB2 -0.01 0.11 0.14 -0.04 2.88 3.08 2wk7A1 ASN 125 HB3 -0.41 -0.08 -0.15 -0.04 2.79 2.11 2wk7A1 ASN 125 HD21 0.07 0.13 0.07 -0.04 7.03 7.27 2wk7A1 ASN 125 HD22 0.05 0.18 0.03 -0.04 7.74 7.96 2wk7A1 VAL 126 H -0.33 0.78 0.22 -0.55 8.24 8.36 2wk7A1 VAL 126 HA -0.18 0.17 0.99 -0.75 4.13 4.35 2wk7A1 VAL 126 HB -0.28 -0.04 -0.07 -0.04 2.12 1.69 2wk7A1 VAL 126 HG13 -0.24 -0.04 -0.24 -0.04 0.97 0.40 2wk7A1 VAL 126 HG23 -0.16 0.03 -0.33 -0.04 0.95 0.45 2wk7A1 TYR 127 H 0.01 0.66 0.11 -0.55 8.29 8.51 2wk7A1 TYR 127 HA 0.01 0.36 0.84 -0.75 4.56 5.02 2wk7A1 TYR 127 HB2 -0.05 -0.09 0.08 -0.04 3.06 2.96 2wk7A1 TYR 127 HB3 -0.03 -0.06 -0.02 -0.04 2.98 2.83 2wk7A1 TYR 127 HD2 -0.06 -0.01 -0.26 -0.04 7.15 6.78 2wk7A1 TYR 127 HE2 -0.16 0.07 -0.33 -0.04 6.85 6.38 2wk7A1 ILE 128 H -0.14 0.51 0.19 -0.55 8.25 8.27 2wk7A1 ILE 128 HA -0.09 0.20 1.00 -0.75 4.18 4.53 2wk7A1 ILE 128 HB -0.53 0.03 -0.26 -0.04 1.89 1.09 2wk7A1 ILE 128 HG12 -0.63 0.24 -0.27 -0.04 1.49 0.79 2wk7A1 ILE 128 HG13 -0.41 -0.11 -0.07 -0.04 1.21 0.58 2wk7A1 ILE 128 HG23 -1.18 0.02 -0.18 -0.04 0.93 -0.45 2wk7A1 ILE 128 HD13 -1.85 -0.00 -0.27 -0.04 0.88 -1.29 2wk7A1 ASP 129 H -0.20 0.37 0.28 -0.55 8.40 8.30 2wk7A1 ASP 129 HA -1.60 0.14 0.53 -0.75 4.63 2.95 2wk7A1 ASP 129 HB2 0.03 0.15 0.25 -0.04 2.71 3.10 2wk7A1 ASP 129 HB3 0.22 -0.19 0.17 -0.04 2.70 2.86 2wk7A1 PHE 130 H -0.31 0.55 0.28 -0.55 8.34 8.31 2wk7A1 PHE 130 HA 0.42 0.13 0.40 -0.75 4.62 4.81 2wk7A1 PHE 130 HB2 -0.37 -0.11 0.20 -0.04 3.15 2.83 2wk7A1 PHE 130 HB3 -0.40 0.01 -0.03 -0.04 3.06 2.60 2wk7A1 PHE 130 HD2 0.01 -0.03 -0.26 -0.04 7.28 6.96 2wk7A1 PHE 130 HE2 0.11 0.02 -0.14 -0.04 7.38 7.33 2wk7A1 PHE 130 HZ 0.11 0.06 -0.07 -0.04 7.32 7.38 2wk7A1 PHE 131 H 0.14 -0.08 -0.35 -0.55 8.34 7.49 2wk7A1 PHE 131 HA 0.21 0.34 0.66 -0.75 4.62 5.08 2wk7A1 PHE 131 HB2 -0.04 -0.09 0.02 -0.04 3.15 3.00 2wk7A1 PHE 131 HB3 0.04 -0.08 0.11 -0.04 3.06 3.08 2wk7A1 PHE 131 HD2 -0.73 0.09 -0.15 -0.04 7.28 6.45 2wk7A1 PHE 131 HE2 -0.21 0.05 -0.03 -0.04 7.38 7.14 2wk7A1 PHE 131 HZ -0.13 0.05 -0.01 -0.04 7.32 7.19 2wk7A1 ALA 132 H 0.45 0.38 -0.32 -0.55 8.40 8.36 2wk7A1 ALA 132 HA 0.45 -0.16 0.39 -0.75 4.34 4.27 2wk7A1 ALA 132 HB3 0.11 0.01 -0.01 -0.04 1.41 1.48 2wk7A1 HIS 133 H 0.27 -0.02 0.12 -0.55 8.41 8.23 2wk7A1 HIS 133 HA 0.22 0.17 0.35 -0.75 4.63 4.61 2wk7A1 HIS 133 HB2 0.12 0.00 0.17 -0.04 3.26 3.52 2wk7A1 HIS 133 HB3 0.06 -0.07 0.05 -0.04 3.20 3.19 2wk7A1 HIS 133 HD2 0.23 0.05 0.07 -0.04 6.97 7.27 2wk7A1 HIS 133 HE1 0.48 0.06 -0.00 -0.04 7.75 8.24 2wk7A1 MET 134 H -0.46 0.20 0.18 -0.55 8.47 7.84 2wk7A1 MET 134 HA 0.10 0.18 0.38 -0.75 4.52 4.43 2wk7A1 MET 134 HB2 -0.03 0.15 0.13 -0.04 2.15 2.35 2wk7A1 MET 134 HB3 0.00 -0.08 0.09 -0.04 2.03 2.00 2wk7A1 MET 134 HG2 0.32 0.05 -0.06 -0.04 2.63 2.90 2wk7A1 MET 134 HG3 0.20 -0.08 -0.24 -0.04 2.56 2.40 2wk7A1 MET 134 HE3 -0.04 0.02 -0.04 -0.04 2.10 2.01 2wk7A1 SER 135 H 0.01 0.03 -0.34 -0.55 8.46 7.61 2wk7A1 SER 135 HA -1.71 0.12 0.26 -0.75 4.49 2.40 2wk7A1 SER 135 HB2 -0.98 0.08 0.08 -0.04 3.95 3.09 2wk7A1 SER 135 HB3 -0.36 -0.02 0.03 -0.04 3.93 3.54 2wk7A1 LEU 136 H -0.04 0.47 -0.47 -0.55 8.37 7.79 2wk7A1 LEU 136 HA -0.21 0.12 0.54 -0.75 4.35 4.04 2wk7A1 LEU 136 HB2 -0.08 0.14 -0.09 -0.04 1.64 1.57 2wk7A1 LEU 136 HB3 -0.19 0.06 -0.12 -0.04 1.64 1.35 2wk7A1 LEU 136 HG -0.04 -0.16 -0.16 -0.04 1.64 1.24 2wk7A1 LEU 136 HD13 0.02 -0.04 -0.11 -0.04 0.93 0.76 2wk7A1 LEU 136 HD23 -0.10 0.02 -0.13 -0.04 0.89 0.64 2wk7A1 TRP 137 H 0.19 0.24 -0.14 -0.55 7.97 7.71 2wk7A1 TRP 137 HA -0.15 0.09 0.43 -0.75 4.62 4.24 2wk7A1 TRP 137 HB2 -0.12 0.04 0.15 -0.04 3.23 3.26 2wk7A1 TRP 137 HB3 -0.10 0.03 -0.05 -0.04 3.23 3.07 2wk7A1 TRP 137 HD1 -0.04 0.04 -0.33 -0.04 7.22 6.84 2wk7A1 TRP 137 HE1 0.04 0.09 -0.19 -0.04 10.20 10.11 2wk7A1 TRP 137 HE3 -0.09 -0.00 -0.06 -0.04 7.59 7.40 2wk7A1 TRP 137 HZ2 -0.15 -0.02 -0.03 -0.04 7.44 7.19 2wk7A1 TRP 137 HZ3 -0.12 0.04 -0.07 -0.04 7.13 6.93 2wk7A1 TRP 137 HH2 -0.41 -0.04 -0.05 -0.04 7.19 6.64 2wk7A1 GLU 138 H -0.13 0.65 -0.03 -0.55 8.60 8.55 2wk7A1 GLU 138 HA -0.36 0.07 0.28 -0.75 4.29 3.52 2wk7A1 GLU 138 HB2 -0.51 -0.05 -0.02 -0.04 2.09 1.47 2wk7A1 GLU 138 HB3 -0.78 0.02 -0.08 -0.04 1.99 1.11 2wk7A1 GLU 138 HG2 0.05 0.02 -0.01 -0.04 2.34 2.36 2wk7A1 GLU 138 HG3 0.46 -0.06 -0.08 -0.04 2.34 2.62 2wk7A1 GLY 139 H -0.41 0.27 -0.56 -0.55 8.43 7.18 2wk7A1 GLY 139 HA2 -0.22 -0.00 0.40 -0.51 4.01 3.68 2wk7A1 GLY 139 HA3 -0.24 0.07 0.22 -0.51 4.01 3.54 2wk7A1 ALA 140 H -0.22 0.47 -0.17 -0.55 8.40 7.93 2wk7A1 ALA 140 HA -0.14 0.04 0.32 -0.75 4.34 3.80 2wk7A1 ALA 140 HB3 -0.20 0.04 0.04 -0.04 1.41 1.25 2wk7A1 ARG 141 H -0.14 0.65 -0.13 -0.55 8.46 8.29 2wk7A1 ARG 141 HA -0.02 0.07 0.24 -0.75 4.34 3.88 2wk7A1 ARG 141 HB2 0.02 -0.03 0.02 -0.04 1.90 1.88 2wk7A1 ARG 141 HB3 -0.11 -0.02 0.05 -0.04 1.80 1.68 2wk7A1 ARG 141 HG2 0.17 0.03 -0.24 -0.04 1.67 1.58 2wk7A1 ARG 141 HG3 0.07 0.02 0.03 -0.04 1.67 1.74 2wk7A1 ARG 141 HD2 0.09 -0.00 -0.04 -0.04 3.22 3.22 2wk7A1 ARG 141 HD3 0.07 -0.03 -0.06 -0.04 3.22 3.16 2wk7A1 TYR 142 H -0.12 0.47 -0.45 -0.55 8.29 7.64 2wk7A1 TYR 142 HA 0.00 0.01 0.49 -0.75 4.56 4.31 2wk7A1 TYR 142 HB2 -0.03 0.11 0.11 -0.04 3.06 3.22 2wk7A1 TYR 142 HB3 -0.01 -0.09 0.05 -0.04 2.98 2.89 2wk7A1 TYR 142 HD2 0.05 -0.04 -0.12 -0.04 7.15 7.00 2wk7A1 TYR 142 HE2 0.23 -0.08 -0.09 -0.04 6.85 6.87 2wk7A1 ALA 143 H 0.00 0.50 -0.19 -0.55 8.40 8.17 2wk7A1 ALA 143 HA -0.03 0.08 0.55 -0.75 4.34 4.19 2wk7A1 ALA 143 HB3 -0.06 -0.03 -0.08 -0.04 1.41 1.21 2wk7A1 ASN 144 H 0.01 0.20 -0.61 -0.55 8.53 7.58 2wk7A1 ASN 144 HA -0.01 0.04 0.26 -0.75 4.76 4.30 2wk7A1 ASN 144 HB2 -0.02 0.19 -0.05 -0.04 2.88 2.96 2wk7A1 ASN 144 HB3 -0.01 -0.06 0.24 -0.04 2.79 2.91 2wk7A1 ASN 144 HD21 0.02 -0.08 0.02 -0.04 7.03 6.95 2wk7A1 ASN 144 HD22 0.01 0.01 0.06 -0.04 7.74 7.78 2wk7A1 ALA 145 H -0.07 0.19 -0.25 -0.55 8.40 7.73 2wk7A1 ALA 145 HA -0.08 0.24 0.25 -0.75 4.34 4.00 2wk7A1 ALA 145 HB3 -0.12 -0.00 -0.11 -0.04 1.41 1.14 2wk7A1 GLN 146 H -0.13 0.68 -0.05 -0.55 8.47 8.42 2wk7A1 GLN 146 HA -0.23 0.06 0.70 -0.75 4.36 4.14 2wk7A1 GLN 146 HB2 -0.09 0.13 -0.06 -0.04 2.15 2.09 2wk7A1 GLN 146 HB3 -0.12 -0.09 0.03 -0.04 2.02 1.79 2wk7A1 GLN 146 HG2 -0.02 -0.01 -0.01 -0.04 2.40 2.32 2wk7A1 GLN 146 HG3 -0.41 -0.05 -0.12 -0.04 2.39 1.76 2wk7A1 GLN 146 HE21 -0.19 -0.08 0.02 -0.04 6.97 6.68 2wk7A1 GLN 146 HE22 -0.56 0.10 -0.09 -0.04 7.69 7.09 2wk7A1 ALA 147 H -0.28 0.26 0.05 -0.55 8.40 7.88 2wk7A1 ALA 147 HA -0.40 0.13 0.63 -0.75 4.34 3.95 2wk7A1 ALA 147 HB3 -0.24 -0.03 -0.00 -0.04 1.41 1.09 2wk7A1 HIS 148 H -0.34 0.74 0.29 -0.55 8.41 8.55 2wk7A1 HIS 148 HA -0.16 0.17 0.78 -0.75 4.63 4.66 2wk7A1 HIS 148 HB2 -0.35 -0.09 0.04 -0.04 3.26 2.83 2wk7A1 HIS 148 HB3 -0.06 -0.01 -0.01 -0.04 3.20 3.08 2wk7A1 HIS 148 HD2 -0.79 -0.12 -0.14 -0.04 6.97 5.87 2wk7A1 HIS 148 HE1 -0.82 -0.03 -0.07 -0.04 7.75 6.78 2wk7A1 PRO 149 HA -0.45 0.24 0.55 -0.51 4.44 4.28 2wk7A1 PRO 149 HB2 -1.34 -0.05 -0.08 -0.04 2.28 0.77 2wk7A1 PRO 149 HB3 -0.45 0.01 0.02 -0.04 2.02 1.56 2wk7A1 PRO 149 HG2 0.03 0.02 0.02 -0.04 2.03 2.06 2wk7A1 PRO 149 HG3 0.14 0.04 -0.03 -0.04 2.03 2.14 2wk7A1 PRO 149 HD2 0.02 0.09 0.16 -0.04 3.68 3.91 2wk7A1 PRO 149 HD3 -0.06 0.27 0.04 -0.04 3.65 3.86 2wk7A1 PHE 150 H -0.63 0.41 0.31 -0.55 8.34 7.88 2wk7A1 PHE 150 HA 0.02 0.21 0.68 -0.75 4.62 4.77 2wk7A1 PHE 150 HB2 -0.11 -0.10 -0.02 -0.04 3.15 2.88 2wk7A1 PHE 150 HB3 -0.25 0.16 -0.16 -0.04 3.06 2.76 2wk7A1 PHE 150 HD2 -0.02 0.17 -0.22 -0.04 7.28 7.17 2wk7A1 PHE 150 HE2 -0.02 0.01 -0.33 -0.04 7.38 7.00 2wk7A1 PHE 150 HZ 0.02 -0.02 -0.10 -0.04 7.32 7.17 2wk7A1 MET 151 H 1.02 0.15 0.10 -0.55 8.47 9.19 2wk7A1 MET 151 HA 0.37 0.05 0.40 -0.75 4.52 4.58 2wk7A1 MET 151 HB2 0.22 -0.05 0.11 -0.04 2.15 2.39 2wk7A1 MET 151 HB3 0.09 0.08 0.02 -0.04 2.03 2.17 2wk7A1 MET 151 HG2 0.00 0.02 0.04 -0.04 2.63 2.65 2wk7A1 MET 151 HG3 0.06 0.02 0.05 -0.04 2.56 2.66 2wk7A1 MET 151 HE3 -0.10 -0.01 0.03 -0.04 2.10 1.97 2wk7A1 HIS 152 H -0.07 0.15 0.19 -0.55 8.41 8.13 2wk7A1 HIS 152 HA -0.24 -0.13 0.40 -0.75 4.63 3.90 2wk7A1 HIS 152 HB2 -0.87 -0.00 0.16 -0.04 3.26 2.51 2wk7A1 HIS 152 HB3 -0.17 0.08 0.15 -0.04 3.20 3.22 2wk7A1 HIS 152 HD2 0.03 0.09 -0.11 -0.04 6.97 6.94 2wk7A1 HIS 152 HE1 -1.21 -0.08 -0.09 -0.04 7.75 6.32 2wk7A1 ASN 153 H -0.14 0.04 0.20 -0.55 8.53 8.08 2wk7A1 ASN 153 HA 0.04 -0.02 0.32 -0.75 4.76 4.34 2wk7A1 ASN 153 HB2 -0.21 0.16 -0.32 -0.04 2.88 2.46 2wk7A1 ASN 153 HB3 -0.05 0.03 0.22 -0.04 2.79 2.95 2wk7A1 ASN 153 HD21 -0.11 -0.07 -0.38 -0.04 7.03 6.42 2wk7A1 ASN 153 HD22 -0.15 0.07 -0.15 -0.04 7.74 7.46 2wk7A1 ASN 154 H 0.27 0.46 -0.20 -0.55 8.53 8.52 2wk7A1 ASN 154 HA 0.07 0.16 0.77 -0.75 4.76 5.00 2wk7A1 ASN 154 HB2 0.15 0.13 -0.20 -0.04 2.88 2.91 2wk7A1 ASN 154 HB3 0.27 -0.06 0.14 -0.04 2.79 3.10 2wk7A1 ASN 154 HD21 0.05 0.06 0.00 -0.04 7.03 7.10 2wk7A1 ASN 154 HD22 0.07 0.05 -0.03 -0.04 7.74 7.79 2wk7A1 CYS 155 H 0.01 0.29 0.15 -0.55 8.50 8.40 2wk7A1 CYS 155 HA -0.15 0.10 0.37 -0.75 4.58 4.15 2wk7A1 CYS 155 HB2 -0.02 0.03 0.07 -0.04 2.97 3.02 2wk7A1 CYS 155 HB3 -0.05 0.06 -0.00 -0.04 2.97 2.94 2wk7A1 ASP 156 H 0.02 0.07 -0.12 -0.55 8.40 7.82 2wk7A1 ASP 156 HA -0.00 0.15 0.48 -0.75 4.63 4.50 2wk7A1 ASP 156 HB2 0.04 -0.07 0.09 -0.04 2.71 2.73 2wk7A1 ASP 156 HB3 0.03 0.10 0.01 -0.04 2.70 2.79 2wk7A1 HIS 157 H 0.14 0.05 -0.15 -0.55 8.41 7.90 2wk7A1 HIS 157 HA 0.01 0.10 0.37 -0.75 4.63 4.36 2wk7A1 HIS 157 HB2 0.08 -0.01 0.12 -0.04 3.26 3.42 2wk7A1 HIS 157 HB3 0.14 0.03 0.11 -0.04 3.20 3.44 2wk7A1 HIS 157 HD2 0.06 0.02 0.08 -0.04 6.97 7.09 2wk7A1 HIS 157 HE1 0.26 0.12 -0.00 -0.04 7.75 8.08 2wk7A1 LEU 158 H -0.13 0.29 -0.43 -0.55 8.37 7.55 2wk7A1 LEU 158 HA -0.44 0.05 0.29 -0.75 4.35 3.49 2wk7A1 LEU 158 HB2 -1.14 -0.05 0.00 -0.04 1.64 0.41 2wk7A1 LEU 158 HB3 -0.42 0.05 0.10 -0.04 1.64 1.33 2wk7A1 LEU 158 HG -0.49 0.07 -0.40 -0.04 1.64 0.78 2wk7A1 LEU 158 HD13 -0.68 -0.00 -0.07 -0.04 0.93 0.13 2wk7A1 LEU 158 HD23 -0.48 -0.02 -0.11 -0.04 0.89 0.24 2wk7A1 ARG 159 H -0.19 0.52 -0.09 -0.55 8.46 8.14 2wk7A1 ARG 159 HA -0.47 0.03 0.37 -0.75 4.34 3.52 2wk7A1 ARG 159 HB2 -0.06 0.09 0.21 -0.04 1.90 2.10 2wk7A1 ARG 159 HB3 -0.01 0.00 -0.02 -0.04 1.80 1.73 2wk7A1 ARG 159 HG2 0.06 -0.01 0.02 -0.04 1.67 1.70 2wk7A1 ARG 159 HG3 -0.04 0.10 0.04 -0.04 1.67 1.74 2wk7A1 ARG 159 HD2 0.04 -0.04 -0.02 -0.04 3.22 3.16 2wk7A1 ARG 159 HD3 0.18 0.05 -0.01 -0.04 3.22 3.39 2wk7A1 MET 160 H -0.10 0.41 -0.15 -0.55 8.47 8.07 2wk7A1 MET 160 HA -0.09 0.03 0.39 -0.75 4.52 4.10 2wk7A1 MET 160 HB2 0.03 0.12 0.08 -0.04 2.15 2.34 2wk7A1 MET 160 HB3 0.00 -0.01 0.01 -0.04 2.03 1.99 2wk7A1 MET 160 HG2 -0.00 0.12 0.06 -0.04 2.63 2.76 2wk7A1 MET 160 HG3 0.05 -0.07 -0.02 -0.04 2.56 2.48 2wk7A1 MET 160 HE3 0.01 0.00 -0.01 -0.04 2.10 2.06 2wk7A1 LEU 161 H -0.22 0.35 -0.26 -0.55 8.37 7.70 2wk7A1 LEU 161 HA -0.01 0.03 0.41 -0.75 4.35 4.03 2wk7A1 LEU 161 HB2 -0.27 0.09 0.10 -0.04 1.64 1.52 2wk7A1 LEU 161 HB3 0.22 0.01 -0.05 -0.04 1.64 1.78 2wk7A1 LEU 161 HG -0.30 0.14 0.05 -0.04 1.64 1.49 2wk7A1 LEU 161 HD13 -0.13 -0.02 -0.18 -0.04 0.93 0.57 2wk7A1 LEU 161 HD23 0.09 -0.01 -0.02 -0.04 0.89 0.90 2wk7A1 ILE 162 H -0.61 0.45 -0.09 -0.55 8.25 7.44 2wk7A1 ILE 162 HA -0.50 0.16 0.31 -0.75 4.18 3.39 2wk7A1 ILE 162 HB -1.21 0.01 0.04 -0.04 1.89 0.69 2wk7A1 ILE 162 HG12 -1.63 -0.02 -0.09 -0.04 1.49 -0.30 2wk7A1 ILE 162 HG13 -0.95 0.27 0.06 -0.04 1.21 0.55 2wk7A1 ILE 162 HG23 -0.42 0.03 -0.21 -0.04 0.93 0.29 2wk7A1 ILE 162 HD13 -0.59 -0.04 -0.17 -0.04 0.88 0.04 2wk7A1 GLN 163 H -0.53 0.66 -0.02 -0.55 8.47 8.03 2wk7A1 GLN 163 HA -0.05 -0.02 0.43 -0.75 4.36 3.98 2wk7A1 GLN 163 HB2 -0.17 0.11 0.25 -0.04 2.15 2.31 2wk7A1 GLN 163 HB3 -0.07 -0.01 -0.03 -0.04 2.02 1.87 2wk7A1 GLN 163 HG2 0.10 -0.01 -0.01 -0.04 2.40 2.44 2wk7A1 GLN 163 HG3 0.03 -0.10 -0.03 -0.04 2.39 2.24 2wk7A1 GLN 163 HE21 0.04 -0.02 0.01 -0.04 6.97 6.97 2wk7A1 GLN 163 HE22 0.03 -0.05 -0.02 -0.04 7.69 7.61 2wk7A1 ARG 164 H -0.16 0.46 -0.37 -0.55 8.46 7.84 2wk7A1 ARG 164 HA -0.15 -0.01 0.49 -0.75 4.34 3.92 2wk7A1 ARG 164 HB2 -0.16 -0.11 0.08 -0.04 1.90 1.67 2wk7A1 ARG 164 HB3 -0.23 0.09 0.22 -0.04 1.80 1.84 2wk7A1 ARG 164 HG2 -0.48 -0.09 -0.03 -0.04 1.67 1.04 2wk7A1 ARG 164 HG3 -1.02 0.07 -0.32 -0.04 1.67 0.36 2wk7A1 ARG 164 HD2 -0.17 0.01 0.06 -0.04 3.22 3.08 2wk7A1 ARG 164 HD3 -0.15 -0.08 0.00 -0.04 3.22 2.95 2wk7A1 HIS 165 H -0.06 0.67 0.14 -0.55 8.41 8.62 2wk7A1 HIS 165 HA -0.04 0.13 0.81 -0.75 4.63 4.77 2wk7A1 HIS 165 HB2 -0.16 0.04 0.01 -0.04 3.26 3.10 2wk7A1 HIS 165 HB3 -0.17 -0.04 0.07 -0.04 3.20 3.02 2wk7A1 HIS 165 HD2 -0.26 -0.00 0.03 -0.04 6.97 6.70 2wk7A1 HIS 165 HE1 0.07 -0.05 -0.03 -0.04 7.75 7.69 2wk7A1 GLY 166 H 0.01 0.63 0.06 -0.55 8.43 8.58 2wk7A1 GLY 166 HA2 0.04 -0.01 0.31 -0.51 4.01 3.84 2wk7A1 GLY 166 HA3 0.06 0.13 0.83 -0.51 4.01 4.52 2wk7A1 PRO 167 HA 0.07 0.01 0.39 -0.51 4.44 4.41 2wk7A1 PRO 167 HB2 0.05 -0.07 0.03 -0.04 2.28 2.24 2wk7A1 PRO 167 HB3 0.06 0.28 0.12 -0.04 2.02 2.43 2wk7A1 PRO 167 HG2 0.05 -0.04 0.12 -0.04 2.03 2.11 2wk7A1 PRO 167 HG3 0.07 0.18 0.14 -0.04 2.03 2.39 2wk7A1 PRO 167 HD2 0.05 0.07 0.24 -0.04 3.68 4.00 2wk7A1 PRO 167 HD3 0.06 0.09 0.22 -0.04 3.65 3.98 2wk7A1 GLY 168 H 0.09 0.20 0.24 -0.55 8.43 8.42 2wk7A1 GLY 168 HA2 0.04 0.03 0.50 -0.51 4.01 4.07 2wk7A1 GLY 168 HA3 0.13 0.11 0.28 -0.51 4.01 4.02 2wk7A1 ILE 169 H -0.01 0.82 0.34 -0.55 8.25 8.85 2wk7A1 ILE 169 HA 0.04 0.19 0.98 -0.75 4.18 4.64 2wk7A1 ILE 169 HB -0.05 -0.00 0.11 -0.04 1.89 1.91 2wk7A1 ILE 169 HG12 0.02 -0.04 -0.10 -0.04 1.49 1.34 2wk7A1 ILE 169 HG13 -0.01 -0.02 -0.11 -0.04 1.21 1.03 2wk7A1 ILE 169 HG23 0.01 -0.03 -0.27 -0.04 0.93 0.60 2wk7A1 ILE 169 HD13 -0.05 0.02 -0.14 -0.04 0.88 0.67 2wk7A1 ILE 170 H 0.06 0.71 0.39 -0.55 8.25 8.86 2wk7A1 ILE 170 HA 0.14 0.29 0.93 -0.75 4.18 4.79 2wk7A1 ILE 170 HB 0.05 -0.07 0.16 -0.04 1.89 1.99 2wk7A1 ILE 170 HG12 -0.05 0.02 -0.09 -0.04 1.49 1.33 2wk7A1 ILE 170 HG13 0.03 0.10 -0.05 -0.04 1.21 1.25 2wk7A1 ILE 170 HG23 0.02 -0.03 -0.12 -0.04 0.93 0.76 2wk7A1 ILE 170 HD13 -0.07 -0.01 -0.12 -0.04 0.88 0.63 2wk7A1 VAL 171 H 0.13 0.70 0.34 -0.55 8.24 8.86 2wk7A1 VAL 171 HA 0.03 0.28 1.01 -0.75 4.13 4.70 2wk7A1 VAL 171 HB -0.12 0.05 -0.05 -0.04 2.12 1.96 2wk7A1 VAL 171 HG13 -0.11 -0.06 -0.22 -0.04 0.97 0.54 2wk7A1 VAL 171 HG23 -0.08 0.02 -0.33 -0.04 0.95 0.52 2wk7A1 VAL 172 H 0.04 0.61 0.36 -0.55 8.24 8.71 2wk7A1 VAL 172 HA 0.13 0.02 0.75 -0.75 4.13 4.28 2wk7A1 VAL 172 HB 0.20 0.07 0.06 -0.04 2.12 2.42 2wk7A1 VAL 172 HG13 0.30 -0.01 -0.26 -0.04 0.97 0.96 2wk7A1 VAL 172 HG23 0.08 -0.01 -0.22 -0.04 0.95 0.76 2wk7A1 ASP 173 H -0.39 0.14 0.15 -0.55 8.40 7.74 2wk7A1 ASP 173 HA -0.17 0.14 0.95 -0.75 4.63 4.80 2wk7A1 ASP 173 HB2 -1.74 -0.01 -0.12 -0.04 2.71 0.80 2wk7A1 ASP 173 HB3 -0.35 0.17 -0.18 -0.04 2.70 2.30 2wk7A1 SER 174 H -0.10 0.46 0.13 -0.55 8.46 8.40 2wk7A1 SER 174 HA -0.04 0.09 0.60 -0.75 4.49 4.38 2wk7A1 SER 174 HB2 -0.07 0.06 -0.02 -0.04 3.95 3.88 2wk7A1 SER 174 HB3 -0.05 0.00 0.02 -0.04 3.93 3.86 2wk7A1 ILE 175 H -0.06 0.04 0.00 -0.55 8.25 7.68 2wk7A1 ILE 175 HA 0.06 0.51 0.92 -0.75 4.18 4.90 2wk7A1 ILE 175 HB 0.03 -0.16 -0.07 -0.04 1.89 1.65 2wk7A1 ILE 175 HG12 -0.08 0.15 -0.21 -0.04 1.49 1.31 2wk7A1 ILE 175 HG13 -0.16 -0.25 -0.32 -0.04 1.21 0.44 2wk7A1 ILE 175 HG23 -0.01 0.06 -0.24 -0.04 0.93 0.71 2wk7A1 ILE 175 HD13 -0.37 0.08 -0.09 -0.04 0.88 0.46 2wk7A1 TYR 176 H 0.35 0.60 0.06 -0.55 8.29 8.76 2wk7A1 TYR 176 HA 0.14 0.01 0.45 -0.75 4.56 4.40 2wk7A1 TYR 176 HB2 0.19 -0.06 0.10 -0.04 3.06 3.24 2wk7A1 TYR 176 HB3 0.15 0.01 0.03 -0.04 2.98 3.13 2wk7A1 TYR 176 HD2 0.24 0.26 -0.29 -0.04 7.15 7.31 2wk7A1 TYR 176 HE2 0.11 0.02 -0.11 -0.04 6.85 6.83 2wk7A1 SER 177 H 0.15 0.13 0.18 -0.55 8.46 8.38 2wk7A1 SER 177 HA -0.45 0.15 0.19 -0.75 4.49 3.63 2wk7A1 SER 177 HB2 0.12 0.09 0.08 -0.04 3.95 4.20 2wk7A1 SER 177 HB3 0.30 -0.09 0.13 -0.04 3.93 4.24 2wk7A1 THR 178 H -0.07 -0.09 -0.27 -0.55 8.28 7.30 2wk7A1 THR 178 HA -0.57 0.31 0.84 -0.75 4.39 4.21 2wk7A1 THR 178 HB -0.36 0.09 -0.09 -0.04 4.32 3.92 2wk7A1 THR 178 HG23 -0.44 0.01 -0.11 -0.04 1.22 0.63 2wk7A1 LEU 179 H -0.10 -0.09 -0.06 -0.55 8.37 7.57 2wk7A1 LEU 179 HA -0.11 0.23 0.54 -0.75 4.35 4.25 2wk7A1 LEU 179 HB2 -0.04 -0.17 0.00 -0.04 1.64 1.40 2wk7A1 LEU 179 HB3 -0.07 0.06 -0.00 -0.04 1.64 1.59 2wk7A1 LEU 179 HG -0.42 -0.09 -0.02 -0.04 1.64 1.06 2wk7A1 LEU 179 HD13 -0.42 0.01 -0.03 -0.04 0.93 0.44 2wk7A1 LEU 179 HD23 -0.29 0.04 -0.23 -0.04 0.89 0.37 2wk7A1 GLY 180 H 0.00 0.21 -0.16 -0.55 8.43 7.94 2wk7A1 GLY 180 HA2 -0.01 0.08 0.23 -0.51 4.01 3.80 2wk7A1 GLY 180 HA3 -0.00 0.41 0.53 -0.51 4.01 4.44 2wk7A1 THR 181 H 0.16 -0.11 -0.22 -0.55 8.28 7.56 2wk7A1 THR 181 HA 0.12 0.21 0.53 -0.75 4.39 4.50 2wk7A1 THR 181 HB 0.21 0.12 -0.02 -0.04 4.32 4.59 2wk7A1 THR 181 HG23 0.14 0.09 -0.23 -0.04 1.22 1.18 2wk7A1 ILE 182 H 0.12 0.26 0.14 -0.55 8.25 8.23 2wk7A1 ILE 182 HA 0.12 0.25 1.05 -0.75 4.18 4.85 2wk7A1 ILE 182 HB 0.06 0.02 0.16 -0.04 1.89 2.09 2wk7A1 ILE 182 HG12 -0.00 -0.06 -0.10 -0.04 1.49 1.29 2wk7A1 ILE 182 HG13 0.05 -0.03 -0.20 -0.04 1.21 0.99 2wk7A1 ILE 182 HG23 0.03 0.06 -0.05 -0.04 0.93 0.93 2wk7A1 ILE 182 HD13 0.05 0.02 0.00 -0.04 0.88 0.91 2wk7A1 ALA 183 H 0.14 0.63 0.31 -0.55 8.40 8.93 2wk7A1 ALA 183 HA 0.15 0.05 0.44 -0.75 4.34 4.21 2wk7A1 ALA 183 HB3 0.19 0.00 0.09 -0.04 1.41 1.65 2wk7A1 PRO 184 HA 0.03 0.19 0.70 -0.51 4.44 4.85 2wk7A1 PRO 184 HB2 0.02 -0.12 0.24 -0.04 2.28 2.38 2wk7A1 PRO 184 HB3 0.02 0.13 0.15 -0.04 2.02 2.28 2wk7A1 PRO 184 HG2 0.03 -0.01 0.04 -0.04 2.03 2.05 2wk7A1 PRO 184 HG3 0.03 0.20 0.13 -0.04 2.03 2.35 2wk7A1 PRO 184 HD2 0.08 0.05 0.04 -0.04 3.68 3.80 2wk7A1 PRO 184 HD3 0.06 0.08 0.22 -0.04 3.65 3.97 2wk7A1 LEU 185 H 0.03 0.41 -0.14 -0.55 8.37 8.12 2wk7A1 LEU 185 HA 0.03 0.04 0.07 -0.75 4.35 3.74 2wk7A1 LEU 185 HB2 0.01 0.06 -0.00 -0.04 1.64 1.66 2wk7A1 LEU 185 HB3 0.02 0.02 -0.10 -0.04 1.64 1.54 2wk7A1 LEU 185 HG 0.04 0.06 -0.18 -0.04 1.64 1.51 2wk7A1 LEU 185 HD13 -0.00 -0.01 -0.08 -0.04 0.93 0.80 2wk7A1 LEU 185 HD23 0.03 -0.01 -0.15 -0.04 0.89 0.72 2wk7A1 ALA 186 H 0.01 0.12 -0.18 -0.55 8.40 7.81 2wk7A1 ALA 186 HA -0.00 0.11 0.29 -0.75 4.34 3.99 2wk7A1 ALA 186 HB3 -0.00 0.03 0.05 -0.04 1.41 1.45 2wk7A1 GLU 187 H 0.01 0.08 -0.21 -0.55 8.60 7.93 2wk7A1 GLU 187 HA -0.00 0.09 0.36 -0.75 4.29 3.98 2wk7A1 GLU 187 HB2 0.00 0.01 0.09 -0.04 2.09 2.15 2wk7A1 GLU 187 HB3 0.00 0.07 0.12 -0.04 1.99 2.13 2wk7A1 GLU 187 HG2 -0.02 -0.01 -0.21 -0.04 2.34 2.06 2wk7A1 GLU 187 HG3 -0.01 0.02 0.02 -0.04 2.34 2.33 2wk7A1 LEU 188 H 0.00 0.46 -0.13 -0.55 8.37 8.17 2wk7A1 LEU 188 HA -0.03 0.01 0.33 -0.75 4.35 3.90 2wk7A1 LEU 188 HB2 0.02 0.07 -0.05 -0.04 1.64 1.64 2wk7A1 LEU 188 HB3 0.01 -0.00 -0.12 -0.04 1.64 1.49 2wk7A1 LEU 188 HG 0.01 0.15 -0.03 -0.04 1.64 1.72 2wk7A1 LEU 188 HD13 0.08 -0.04 -0.24 -0.04 0.93 0.69 2wk7A1 LEU 188 HD23 -0.06 -0.01 -0.11 -0.04 0.89 0.67 2wk7A1 VAL 189 H 0.01 0.54 -0.31 -0.55 8.24 7.92 2wk7A1 VAL 189 HA 0.02 0.01 0.45 -0.75 4.13 3.87 2wk7A1 VAL 189 HB -0.01 0.22 0.20 -0.04 2.12 2.49 2wk7A1 VAL 189 HG13 -0.02 0.01 -0.18 -0.04 0.97 0.74 2wk7A1 VAL 189 HG23 -0.00 -0.00 -0.05 -0.04 0.95 0.85 2wk7A1 ASN 190 H -0.00 0.44 -0.02 -0.55 8.53 8.40 2wk7A1 ASN 190 HA -0.01 0.04 0.44 -0.75 4.76 4.47 2wk7A1 ASN 190 HB2 -0.01 0.11 0.19 -0.04 2.88 3.13 2wk7A1 ASN 190 HB3 -0.02 -0.03 0.01 -0.04 2.79 2.71 2wk7A1 ASN 190 HD21 -0.01 -0.03 -0.05 -0.04 7.03 6.90 2wk7A1 ASN 190 HD22 -0.01 -0.04 -0.01 -0.04 7.74 7.63 2wk7A1 ILE 191 H 0.01 0.60 -0.07 -0.55 8.25 8.25 2wk7A1 ILE 191 HA 0.12 0.04 0.42 -0.75 4.18 4.00 2wk7A1 ILE 191 HB -0.02 0.04 0.08 -0.04 1.89 1.95 2wk7A1 ILE 191 HG12 0.07 0.02 -0.02 -0.04 1.49 1.52 2wk7A1 ILE 191 HG13 0.01 0.05 -0.03 -0.04 1.21 1.20 2wk7A1 ILE 191 HG23 -0.02 0.00 -0.26 -0.04 0.93 0.61 2wk7A1 ILE 191 HD13 -0.09 -0.04 -0.09 -0.04 0.88 0.62 2wk7A1 SER 192 H 0.03 0.61 -0.22 -0.55 8.46 8.33 2wk7A1 SER 192 HA 0.06 -0.04 0.37 -0.75 4.49 4.12 2wk7A1 SER 192 HB2 0.05 -0.05 0.07 -0.04 3.95 3.98 2wk7A1 SER 192 HB3 0.06 0.29 0.19 -0.04 3.93 4.43 2wk7A1 LYS 193 H 0.02 0.33 -0.33 -0.55 8.42 7.89 2wk7A1 LYS 193 HA 0.02 0.07 0.63 -0.75 4.32 4.29 2wk7A1 LYS 193 HB2 -0.03 0.04 0.13 -0.04 1.87 1.97 2wk7A1 LYS 193 HB3 -0.02 -0.05 0.11 -0.04 1.79 1.80 2wk7A1 LYS 193 HG2 0.01 0.00 0.03 -0.04 1.46 1.46 2wk7A1 LYS 193 HG3 -0.01 -0.02 -0.01 -0.04 1.46 1.38 2wk7A1 LYS 193 HD2 -0.03 -0.01 0.03 -0.04 1.69 1.64 2wk7A1 LYS 193 HD3 -0.04 0.03 0.01 -0.04 1.68 1.64 2wk7A1 LYS 193 HE2 -0.04 -0.02 -0.02 -0.04 2.99 2.87 2wk7A1 LYS 193 HE3 -0.03 -0.05 -0.07 -0.04 2.99 2.80 2wk7A1 GLU 194 H -0.03 0.60 0.05 -0.55 8.60 8.68 2wk7A1 GLU 194 HA -0.22 0.02 0.39 -0.75 4.29 3.73 2wk7A1 GLU 194 HB2 -0.15 -0.03 0.11 -0.04 2.09 1.98 2wk7A1 GLU 194 HB3 -0.15 0.01 0.14 -0.04 1.99 1.94 2wk7A1 GLU 194 HG2 -0.98 0.05 0.16 -0.04 2.34 1.53 2wk7A1 GLU 194 HG3 -0.32 -0.04 0.09 -0.04 2.34 2.04 2wk7A1 PHE 195 H 0.04 0.06 -0.84 -0.55 8.34 7.05 2wk7A1 PHE 195 HA -0.04 0.16 0.75 -0.75 4.62 4.74 2wk7A1 PHE 195 HB2 -0.08 0.03 -0.12 -0.04 3.15 2.94 2wk7A1 PHE 195 HB3 -0.07 -0.02 -0.01 -0.04 3.06 2.92 2wk7A1 PHE 195 HD2 -0.08 0.13 -0.10 -0.04 7.28 7.19 2wk7A1 PHE 195 HE2 -0.08 -0.07 -0.03 -0.04 7.38 7.16 2wk7A1 PHE 195 HZ -0.08 -0.08 -0.02 -0.04 7.32 7.10 2wk7A1 GLY 196 H 0.04 0.20 0.06 -0.55 8.43 8.18 2wk7A1 GLY 196 HA2 0.04 0.02 0.41 -0.51 4.01 3.98 2wk7A1 GLY 196 HA3 0.04 0.02 0.53 -0.51 4.01 4.10 2wk7A1 CYS 197 H 0.07 0.46 0.16 -0.55 8.50 8.64 2wk7A1 CYS 197 HA 0.02 0.15 1.03 -0.75 4.58 5.02 2wk7A1 CYS 197 HB2 0.03 -0.11 0.05 -0.04 2.97 2.90 2wk7A1 CYS 197 HB3 0.03 0.24 0.27 -0.04 2.97 3.47 2wk7A1 ALA 198 H -0.06 0.40 0.30 -0.55 8.40 8.49 2wk7A1 ALA 198 HA -0.91 0.18 0.99 -0.75 4.34 3.85 2wk7A1 ALA 198 HB3 -0.25 0.00 0.04 -0.04 1.41 1.17 2wk7A1 LEU 199 H 0.30 0.11 0.26 -0.55 8.37 8.50 2wk7A1 LEU 199 HA 0.11 0.24 0.97 -0.75 4.35 4.92 2wk7A1 LEU 199 HB2 0.21 0.13 0.11 -0.04 1.64 2.05 2wk7A1 LEU 199 HB3 0.18 -0.14 0.06 -0.04 1.64 1.70 2wk7A1 LEU 199 HG 0.08 0.10 -0.13 -0.04 1.64 1.65 2wk7A1 LEU 199 HD13 0.06 -0.01 -0.17 -0.04 0.93 0.76 2wk7A1 LEU 199 HD23 0.09 -0.00 -0.14 -0.04 0.89 0.79 2wk7A1 LEU 200 H 0.12 0.68 0.29 -0.55 8.37 8.92 2wk7A1 LEU 200 HA 0.25 0.25 0.91 -0.75 4.35 5.00 2wk7A1 LEU 200 HB2 0.19 0.06 -0.19 -0.04 1.64 1.66 2wk7A1 LEU 200 HB3 0.06 0.05 0.08 -0.04 1.64 1.79 2wk7A1 LEU 200 HG 0.05 0.00 -0.17 -0.04 1.64 1.47 2wk7A1 LEU 200 HD13 -0.12 0.01 -0.16 -0.04 0.93 0.61 2wk7A1 LEU 200 HD23 0.00 -0.03 -0.44 -0.04 0.89 0.38 2wk7A1 VAL 201 H 0.12 0.62 0.25 -0.55 8.24 8.68 2wk7A1 VAL 201 HA 0.03 0.26 1.05 -0.75 4.13 4.71 2wk7A1 VAL 201 HB 0.04 -0.01 0.10 -0.04 2.12 2.20 2wk7A1 VAL 201 HG13 -0.00 -0.04 -0.23 -0.04 0.97 0.66 2wk7A1 VAL 201 HG23 0.08 0.04 -0.22 -0.04 0.95 0.81 2wk7A1 ASP 202 H -0.02 0.75 0.41 -0.55 8.40 8.99 2wk7A1 ASP 202 HA -0.00 0.23 1.03 -0.75 4.63 5.14 2wk7A1 ASP 202 HB2 -0.02 0.11 0.07 -0.04 2.71 2.82 2wk7A1 ASP 202 HB3 -0.04 -0.06 0.33 -0.04 2.70 2.89 2wk7A1 GLU 203 H -0.02 0.79 0.33 -0.55 8.60 9.15 2wk7A1 GLU 203 HA -0.04 0.03 0.85 -0.75 4.29 4.37 2wk7A1 GLU 203 HB2 -0.12 0.21 0.12 -0.04 2.09 2.27 2wk7A1 GLU 203 HB3 -0.06 -0.11 0.24 -0.04 1.99 2.01 2wk7A1 GLU 203 HG2 -0.06 -0.06 -0.05 -0.04 2.34 2.13 2wk7A1 GLU 203 HG3 -0.08 0.16 -0.05 -0.04 2.34 2.32 2wk7A1 SER 204 H -0.04 0.14 -0.27 -0.55 8.46 7.75 2wk7A1 SER 204 HA -0.04 0.14 0.54 -0.75 4.49 4.38 2wk7A1 SER 204 HB2 -0.25 0.06 0.14 -0.04 3.95 3.86 2wk7A1 SER 204 HB3 -0.37 0.09 0.12 -0.04 3.93 3.73 2wk7A1 HIS 205 H 0.04 0.03 -0.28 -0.55 8.41 7.65 2wk7A1 HIS 205 HA 0.28 0.24 0.78 -0.75 4.63 5.18 2wk7A1 HIS 205 HB2 0.02 0.03 0.04 -0.04 3.26 3.31 2wk7A1 HIS 205 HB3 0.06 0.07 0.11 -0.04 3.20 3.40 2wk7A1 HIS 205 HD2 0.04 0.02 0.04 -0.04 6.97 7.03 2wk7A1 HIS 205 HE1 0.18 0.08 -0.02 -0.04 7.75 7.94 2wk7A1 SER 206 H 0.06 0.30 -0.09 -0.55 8.46 8.18 2wk7A1 SER 206 HA -0.03 0.25 0.80 -0.75 4.49 4.76 2wk7A1 SER 206 HB2 -0.25 -0.01 0.04 -0.04 3.95 3.68 2wk7A1 SER 206 HB3 -0.20 0.01 -0.13 -0.04 3.93 3.56 2wk7A1 LEU 207 H 0.08 0.38 0.20 -0.55 8.37 8.49 2wk7A1 LEU 207 HA 0.08 0.10 0.49 -0.75 4.35 4.27 2wk7A1 LEU 207 HB2 0.02 0.01 0.14 -0.04 1.64 1.78 2wk7A1 LEU 207 HB3 0.19 -0.02 0.10 -0.04 1.64 1.86 2wk7A1 LEU 207 HG -0.16 -0.09 -0.07 -0.04 1.64 1.29 2wk7A1 LEU 207 HD13 0.32 0.01 -0.13 -0.04 0.93 1.09 2wk7A1 LEU 207 HD23 -0.01 0.05 -0.07 -0.04 0.89 0.82 2wk7A1 GLY 208 H 0.24 0.74 0.26 -0.55 8.43 9.13 2wk7A1 GLY 208 HA2 0.27 0.20 0.44 -0.51 4.01 4.41 2wk7A1 GLY 208 HA3 0.23 -0.00 0.39 -0.51 4.01 4.12 2wk7A1 THR 209 H 0.23 0.17 -0.83 -0.55 8.28 7.30 2wk7A1 THR 209 HA 0.08 0.19 0.74 -0.75 4.39 4.65 2wk7A1 THR 209 HB 0.02 -0.00 0.01 -0.04 4.32 4.31 2wk7A1 THR 209 HG23 0.13 -0.00 -0.07 -0.04 1.22 1.24 2wk7A1 HIS 210 H 0.21 0.21 -0.09 -0.55 8.41 8.19 2wk7A1 HIS 210 HA 0.02 0.24 0.89 -0.75 4.63 5.03 2wk7A1 HIS 210 HB2 0.02 0.12 0.01 -0.04 3.26 3.37 2wk7A1 HIS 210 HB3 0.00 -0.04 -0.17 -0.04 3.20 2.95 2wk7A1 HIS 210 HD2 0.00 0.01 -0.01 -0.04 6.97 6.92 2wk7A1 HIS 210 HE1 -0.06 -0.02 0.00 -0.04 7.75 7.63 2wk7A1 GLY 211 H 0.06 0.14 0.06 -0.55 8.43 8.14 2wk7A1 GLY 211 HA2 0.02 0.07 0.32 -0.51 4.01 3.91 2wk7A1 GLY 211 HA3 0.01 0.23 0.38 -0.51 4.01 4.11 2wk7A1 PRO 212 HA 0.01 0.03 0.51 -0.51 4.44 4.48 2wk7A1 PRO 212 HB2 -0.00 0.10 0.04 -0.04 2.28 2.38 2wk7A1 PRO 212 HB3 -0.00 0.05 0.10 -0.04 2.02 2.13 2wk7A1 PRO 212 HG2 -0.06 0.03 0.06 -0.04 2.03 2.01 2wk7A1 PRO 212 HG3 -0.03 0.16 -0.00 -0.04 2.03 2.11 2wk7A1 PRO 212 HD2 -0.03 0.02 -0.04 -0.04 3.68 3.59 2wk7A1 PRO 212 HD3 -0.01 0.19 0.07 -0.04 3.65 3.86 2wk7A1 ASN 213 H 0.04 0.13 0.22 -0.55 8.53 8.38 2wk7A1 ASN 213 HA 0.08 0.09 0.35 -0.75 4.76 4.54 2wk7A1 ASN 213 HB2 0.15 0.20 -0.01 -0.04 2.88 3.19 2wk7A1 ASN 213 HB3 0.22 0.00 0.30 -0.04 2.79 3.27 2wk7A1 ASN 213 HD21 0.06 -0.04 -0.02 -0.04 7.03 6.99 2wk7A1 ASN 213 HD22 0.10 0.03 -0.03 -0.04 7.74 7.80 2wk7A1 GLY 214 H 0.08 0.41 -0.56 -0.55 8.43 7.80 2wk7A1 GLY 214 HA2 0.12 0.05 -0.06 -0.51 4.01 3.62 2wk7A1 GLY 214 HA3 0.22 0.15 0.36 -0.51 4.01 4.23 2wk7A1 ALA 215 H -0.04 0.32 -0.59 -0.55 8.40 7.55 2wk7A1 ALA 215 HA -1.28 0.07 0.34 -0.75 4.34 2.72 2wk7A1 ALA 215 HB3 -0.40 0.02 0.13 -0.04 1.41 1.13 2wk7A1 GLY 216 H -0.02 0.56 -0.40 -0.55 8.43 8.03 2wk7A1 GLY 216 HA2 0.02 0.18 0.09 -0.51 4.01 3.78 2wk7A1 GLY 216 HA3 -0.11 0.08 0.63 -0.51 4.01 4.10 2wk7A1 LEU 217 H -0.05 0.09 0.00 -0.55 8.37 7.87 2wk7A1 LEU 217 HA 0.01 0.16 0.45 -0.75 4.35 4.21 2wk7A1 LEU 217 HB2 -0.07 -0.10 0.09 -0.04 1.64 1.52 2wk7A1 LEU 217 HB3 -0.03 0.06 -0.09 -0.04 1.64 1.53 2wk7A1 LEU 217 HG -0.19 -0.00 -0.04 -0.04 1.64 1.37 2wk7A1 LEU 217 HD13 -0.17 0.00 -0.09 -0.04 0.93 0.64 2wk7A1 LEU 217 HD23 0.04 0.03 0.00 -0.04 0.89 0.92 2wk7A1 LEU 218 H -0.04 0.10 -0.05 -0.55 8.37 7.84 2wk7A1 LEU 218 HA -0.02 0.07 0.40 -0.75 4.35 4.05 2wk7A1 LEU 218 HB2 -0.00 0.09 0.01 -0.04 1.64 1.70 2wk7A1 LEU 218 HB3 -0.01 0.02 -0.12 -0.04 1.64 1.49 2wk7A1 LEU 218 HG 0.00 -0.14 -0.01 -0.04 1.64 1.45 2wk7A1 LEU 218 HD13 0.14 0.04 -0.08 -0.04 0.93 0.99 2wk7A1 LEU 218 HD23 0.02 0.02 -0.13 -0.04 0.89 0.75 2wk7A1 ALA 219 H -0.07 0.13 -0.51 -0.55 8.40 7.39 2wk7A1 ALA 219 HA -0.08 0.03 0.35 -0.75 4.34 3.89 2wk7A1 ALA 219 HB3 -0.13 0.09 -0.08 -0.04 1.41 1.25 2wk7A1 GLU 220 H -0.03 0.23 -0.25 -0.55 8.60 8.00 2wk7A1 GLU 220 HA -0.01 0.07 0.49 -0.75 4.29 4.08 2wk7A1 GLU 220 HB2 0.03 -0.10 0.17 -0.04 2.09 2.14 2wk7A1 GLU 220 HB3 0.02 0.06 0.15 -0.04 1.99 2.18 2wk7A1 GLU 220 HG2 0.02 0.05 -0.14 -0.04 2.34 2.22 2wk7A1 GLU 220 HG3 0.01 0.02 0.12 -0.04 2.34 2.45 2wk7A1 LEU 221 H -0.02 0.25 -0.43 -0.55 8.37 7.62 2wk7A1 LEU 221 HA -0.01 0.18 0.60 -0.75 4.35 4.36 2wk7A1 LEU 221 HB2 -0.02 -0.06 0.03 -0.04 1.64 1.55 2wk7A1 LEU 221 HB3 -0.01 -0.03 0.08 -0.04 1.64 1.64 2wk7A1 LEU 221 HG 0.00 0.16 -0.01 -0.04 1.64 1.75 2wk7A1 LEU 221 HD13 0.00 -0.05 -0.06 -0.04 0.93 0.79 2wk7A1 LEU 221 HD23 0.01 0.03 -0.11 -0.04 0.89 0.78 2wk7A1 GLY 222 H -0.04 0.25 -0.20 -0.55 8.43 7.89 2wk7A1 GLY 222 HA2 -0.05 0.05 0.30 -0.51 4.01 3.80 2wk7A1 GLY 222 HA3 -0.04 0.12 0.46 -0.51 4.01 4.04 2wk7A1 LEU 223 H -0.05 0.43 0.02 -0.55 8.37 8.22 2wk7A1 LEU 223 HA -0.06 0.22 0.53 -0.75 4.35 4.28 2wk7A1 LEU 223 HB2 -0.03 -0.08 0.01 -0.04 1.64 1.50 2wk7A1 LEU 223 HB3 -0.04 -0.01 -0.05 -0.04 1.64 1.50 2wk7A1 LEU 223 HG -0.03 0.07 -0.28 -0.04 1.64 1.36 2wk7A1 LEU 223 HD13 -0.01 -0.02 -0.23 -0.04 0.93 0.63 2wk7A1 LEU 223 HD23 -0.03 0.03 -0.10 -0.04 0.89 0.75 2wk7A1 THR 224 H -0.11 0.16 -0.19 -0.55 8.28 7.59 2wk7A1 THR 224 HA -0.24 -0.06 0.13 -0.75 4.39 3.46 2wk7A1 THR 224 HB -0.19 0.04 -0.06 -0.04 4.32 4.07 2wk7A1 THR 224 HG23 -0.47 0.04 -0.20 -0.04 1.22 0.55 2wk7A1 ARG 225 H -0.17 0.10 -0.45 -0.55 8.46 7.39 2wk7A1 ARG 225 HA -0.26 0.14 0.50 -0.75 4.34 3.97 2wk7A1 ARG 225 HB2 -0.12 0.02 -0.02 -0.04 1.90 1.74 2wk7A1 ARG 225 HB3 -0.13 0.02 0.08 -0.04 1.80 1.72 2wk7A1 ARG 225 HG2 -0.14 -0.10 -0.06 -0.04 1.67 1.33 2wk7A1 ARG 225 HG3 -0.10 0.01 -0.02 -0.04 1.67 1.53 2wk7A1 ARG 225 HD2 -0.18 0.06 -0.08 -0.04 3.22 2.98 2wk7A1 ARG 225 HD3 -0.10 0.01 -0.03 -0.04 3.22 3.05 2wk7A1 GLU 226 H -0.15 0.83 -0.03 -0.55 8.60 8.71 2wk7A1 GLU 226 HA -0.15 0.14 0.56 -0.75 4.29 4.08 2wk7A1 GLU 226 HB2 -0.08 0.00 0.09 -0.04 2.09 2.07 2wk7A1 GLU 226 HB3 -0.07 -0.04 0.10 -0.04 1.99 1.93 2wk7A1 GLU 226 HG2 -0.09 -0.06 -0.03 -0.04 2.34 2.13 2wk7A1 GLU 226 HG3 -0.06 -0.03 0.03 -0.04 2.34 2.24 2wk7A1 VAL 227 H -0.20 0.28 -0.36 -0.55 8.24 7.41 2wk7A1 VAL 227 HA -0.03 0.11 0.77 -0.75 4.13 4.23 2wk7A1 VAL 227 HB 0.04 0.06 -0.08 -0.04 2.12 2.10 2wk7A1 VAL 227 HG13 0.22 -0.09 -0.17 -0.04 0.97 0.88 2wk7A1 VAL 227 HG23 0.02 -0.01 -0.21 -0.04 0.95 0.71 2wk7A1 HIS 228 H 0.20 0.11 0.29 -0.55 8.41 8.47 2wk7A1 HIS 228 HA -0.24 0.16 0.48 -0.75 4.63 4.27 2wk7A1 HIS 228 HB2 -0.47 0.09 0.15 -0.04 3.26 2.99 2wk7A1 HIS 228 HB3 -0.95 -0.04 0.10 -0.04 3.20 2.26 2wk7A1 HIS 228 HD2 -0.15 -0.01 0.02 -0.04 6.97 6.79 2wk7A1 HIS 228 HE1 -0.02 0.20 0.18 -0.04 7.75 8.07 2wk7A1 PHE 229 H 0.25 0.20 0.04 -0.55 8.34 8.27 2wk7A1 PHE 229 HA 0.16 0.34 1.09 -0.75 4.62 5.45 2wk7A1 PHE 229 HB2 0.09 0.00 0.14 -0.04 3.15 3.33 2wk7A1 PHE 229 HB3 0.05 -0.05 -0.04 -0.04 3.06 2.97 2wk7A1 PHE 229 HD2 0.07 0.06 -0.05 -0.04 7.28 7.32 2wk7A1 PHE 229 HE2 0.02 -0.06 -0.07 -0.04 7.38 7.23 2wk7A1 PHE 229 HZ 0.04 0.01 -0.06 -0.04 7.32 7.28 2wk7A1 MET 230 H -0.04 0.58 0.35 -0.55 8.47 8.81 2wk7A1 MET 230 HA 0.04 0.20 0.70 -0.75 4.52 4.72 2wk7A1 MET 230 HB2 -0.16 -0.06 0.19 -0.04 2.15 2.08 2wk7A1 MET 230 HB3 -0.16 0.03 -0.02 -0.04 2.03 1.84 2wk7A1 MET 230 HG2 -1.77 0.05 -0.05 -0.04 2.63 0.83 2wk7A1 MET 230 HG3 -0.18 -0.07 -0.13 -0.04 2.56 2.13 2wk7A1 MET 230 HE3 -0.28 -0.02 -0.04 -0.04 2.10 1.72 2wk7A1 THR 231 H 0.06 0.51 0.46 -0.55 8.28 8.75 2wk7A1 THR 231 HA 0.24 0.35 1.08 -0.75 4.39 5.30 2wk7A1 THR 231 HB 0.00 0.03 0.09 -0.04 4.32 4.40 2wk7A1 THR 231 HG23 -0.02 0.02 -0.22 -0.04 1.22 0.96 2wk7A1 ALA 232 H 0.18 0.56 0.31 -0.55 8.40 8.91 2wk7A1 ALA 232 HA 0.04 -0.12 0.43 -0.75 4.34 3.94 2wk7A1 ALA 232 HB3 0.19 0.08 -0.06 -0.04 1.41 1.59 2wk7A1 SER 233 H -0.04 0.05 0.22 -0.55 8.46 8.14 2wk7A1 SER 233 HA -0.01 0.08 0.93 -0.75 4.49 4.73 2wk7A1 SER 233 HB2 -0.04 -0.03 0.23 -0.04 3.95 4.06 2wk7A1 SER 233 HB3 -0.08 0.06 0.21 -0.04 3.93 4.08 2wk7A1 LEU 234 H -0.00 0.84 0.38 -0.55 8.37 9.04 2wk7A1 LEU 234 HA 0.02 0.12 0.77 -0.75 4.35 4.51 2wk7A1 LEU 234 HB2 0.04 0.16 -0.11 -0.04 1.64 1.69 2wk7A1 LEU 234 HB3 0.07 0.02 0.02 -0.04 1.64 1.71 2wk7A1 LEU 234 HG -0.11 -0.10 -0.34 -0.04 1.64 1.04 2wk7A1 LEU 234 HD13 -0.11 0.01 -0.26 -0.04 0.93 0.53 2wk7A1 LEU 234 HD23 -0.58 0.02 -0.14 -0.04 0.89 0.15 2wk7A1 ALA 235 H 0.03 -0.09 -0.12 -0.55 8.40 7.67 2wk7A1 ALA 235 HA 0.06 0.09 0.58 -0.75 4.34 4.32 2wk7A1 ALA 235 HB3 0.01 -0.01 0.08 -0.04 1.41 1.45 2wk7A1 LYS 236 H 0.07 0.04 -0.60 -0.55 8.42 7.37 2wk7A1 LYS 236 HA -0.07 0.20 0.80 -0.75 4.32 4.49 2wk7A1 LYS 236 HB2 0.09 -0.12 0.34 -0.04 1.87 2.13 2wk7A1 LYS 236 HB3 -0.08 0.15 0.22 -0.04 1.79 2.05 2wk7A1 LYS 236 HG2 -0.04 -0.21 -0.08 -0.04 1.46 1.08 2wk7A1 LYS 236 HG3 -0.21 0.08 0.01 -0.04 1.46 1.30 2wk7A1 LYS 236 HD2 0.03 0.09 -0.02 -0.04 1.69 1.76 2wk7A1 LYS 236 HD3 -0.01 0.12 -0.25 -0.04 1.68 1.50 2wk7A1 LYS 236 HE2 -0.03 -0.15 -0.07 -0.04 2.99 2.69 2wk7A1 LYS 236 HE3 -0.19 -0.09 -0.02 -0.04 2.99 2.65 2wk7A1 THR 237 H 0.17 0.25 0.19 -0.55 8.28 8.35 2wk7A1 THR 237 HA 0.09 -0.12 0.43 -0.75 4.39 4.04 2wk7A1 THR 237 HB 0.30 0.10 0.11 -0.04 4.32 4.79 2wk7A1 THR 237 HG23 0.09 -0.02 -0.16 -0.04 1.22 1.09 2wk7A1 PHE 238 H 0.44 -0.01 -0.27 -0.55 8.34 7.94 2wk7A1 PHE 238 HA 0.04 0.15 0.55 -0.75 4.62 4.60 2wk7A1 PHE 238 HB2 0.09 -0.14 0.05 -0.04 3.15 3.10 2wk7A1 PHE 238 HB3 0.07 0.04 -0.01 -0.04 3.06 3.13 2wk7A1 PHE 238 HD2 0.06 -0.05 -0.08 -0.04 7.28 7.17 2wk7A1 PHE 238 HE2 0.08 0.01 -0.13 -0.04 7.38 7.30 2wk7A1 PHE 238 HZ -0.09 0.07 -0.09 -0.04 7.32 7.17 2wk7A1 ALA 239 H 0.14 0.25 -0.73 -0.55 8.40 7.52 2wk7A1 ALA 239 HA 0.08 -0.00 0.09 -0.75 4.34 3.76 2wk7A1 ALA 239 HB3 0.07 -0.00 -0.15 -0.04 1.41 1.28 2wk7A1 TYR 240 H 0.19 0.56 0.05 -0.55 8.29 8.54 2wk7A1 TYR 240 HA 0.04 0.13 0.61 -0.75 4.56 4.58 2wk7A1 TYR 240 HB2 0.08 0.21 -0.27 -0.04 3.06 3.04 2wk7A1 TYR 240 HB3 0.06 -0.10 -0.19 -0.04 2.98 2.71 2wk7A1 TYR 240 HD2 0.02 0.05 -0.09 -0.04 7.15 7.09 2wk7A1 TYR 240 HE2 -0.01 -0.02 -0.03 -0.04 6.85 6.76 2wk7A1 ARG 241 H -0.76 0.21 0.05 -0.55 8.46 7.41 2wk7A1 ARG 241 HA -0.12 -0.05 0.43 -0.75 4.34 3.84 2wk7A1 ARG 241 HB2 -0.21 0.01 0.13 -0.04 1.90 1.79 2wk7A1 ARG 241 HB3 -0.36 0.04 0.25 -0.04 1.80 1.68 2wk7A1 ARG 241 HG2 -0.11 0.12 0.04 -0.04 1.67 1.68 2wk7A1 ARG 241 HG3 -0.08 -0.10 0.05 -0.04 1.67 1.49 2wk7A1 ARG 241 HD2 -0.07 -0.01 0.03 -0.04 3.22 3.13 2wk7A1 ARG 241 HD3 -0.08 -0.00 0.04 -0.04 3.22 3.13 2wk7A1 ALA 242 H -0.03 0.30 0.35 -0.55 8.40 8.47 2wk7A1 ALA 242 HA -0.04 0.21 0.04 -0.75 4.34 3.79 2wk7A1 ALA 242 HB3 0.05 0.07 -0.13 -0.04 1.41 1.36 2wk7A1 GLY 243 H -0.05 0.83 0.07 -0.55 8.43 8.72 2wk7A1 GLY 243 HA2 -0.06 0.07 0.76 -0.51 4.01 4.28 2wk7A1 GLY 243 HA3 -0.05 0.04 -0.07 -0.51 4.01 3.42 2wk7A1 ALA 244 H -0.15 0.42 0.33 -0.55 8.40 8.46 2wk7A1 ALA 244 HA -0.36 0.33 0.87 -0.75 4.34 4.42 2wk7A1 ALA 244 HB3 -0.89 0.00 -0.11 -0.04 1.41 0.38 2wk7A1 ILE 245 H -0.50 0.61 0.36 -0.55 8.25 8.17 2wk7A1 ILE 245 HA -0.11 0.14 1.06 -0.75 4.18 4.52 2wk7A1 ILE 245 HB -0.18 0.01 0.12 -0.04 1.89 1.79 2wk7A1 ILE 245 HG12 -0.11 0.05 -0.05 -0.04 1.49 1.34 2wk7A1 ILE 245 HG13 -0.15 -0.18 -0.39 -0.04 1.21 0.44 2wk7A1 ILE 245 HG23 -0.06 0.00 -0.19 -0.04 0.93 0.64 2wk7A1 ILE 245 HD13 -0.12 0.02 -0.08 -0.04 0.88 0.66 2wk7A1 TRP 246 H 0.20 0.86 0.44 -0.55 7.97 8.92 2wk7A1 TRP 246 HA -0.07 0.40 1.27 -0.75 4.62 5.46 2wk7A1 TRP 246 HB2 -0.80 -0.10 0.16 -0.04 3.23 2.45 2wk7A1 TRP 246 HB3 -0.65 0.03 -0.03 -0.04 3.23 2.54 2wk7A1 TRP 246 HD1 0.04 0.07 -0.23 -0.04 7.22 7.07 2wk7A1 TRP 246 HE1 0.05 0.06 -0.60 -0.04 10.20 9.68 2wk7A1 TRP 246 HE3 -0.22 0.23 -0.34 -0.04 7.59 7.21 2wk7A1 TRP 246 HZ2 -0.02 0.05 -0.15 -0.04 7.44 7.28 2wk7A1 TRP 246 HZ3 -0.12 -0.18 -0.32 -0.04 7.13 6.46 2wk7A1 TRP 246 HH2 -0.16 -0.02 -0.18 -0.04 7.19 6.78 2wk7A1 CYS 247 H 0.24 0.73 0.36 -0.55 8.50 9.28 2wk7A1 CYS 247 HA 0.35 0.35 1.10 -0.75 4.58 5.63 2wk7A1 CYS 247 HB2 0.18 0.04 0.12 -0.04 2.97 3.27 2wk7A1 CYS 247 HB3 0.22 -0.04 0.04 -0.04 2.97 3.14 2wk7A1 ASN 248 H 0.19 0.55 0.16 -0.55 8.53 8.88 2wk7A1 ASN 248 HA 0.08 -0.03 0.96 -0.75 4.76 5.01 2wk7A1 ASN 248 HB2 -0.11 0.14 0.26 -0.04 2.88 3.13 2wk7A1 ASN 248 HB3 -0.13 0.03 0.29 -0.04 2.79 2.94 2wk7A1 ASN 248 HD21 -1.03 0.14 0.06 -0.04 7.03 6.15 2wk7A1 ASN 248 HD22 -0.42 0.33 0.14 -0.04 7.74 7.75 2wk7A1 ASN 249 H 0.10 0.28 -0.43 -0.55 8.53 7.93 2wk7A1 ASN 249 HA 0.02 0.18 0.44 -0.75 4.76 4.65 2wk7A1 ASN 249 HB2 0.05 -0.14 0.20 -0.04 2.88 2.94 2wk7A1 ASN 249 HB3 -0.01 0.28 0.03 -0.04 2.79 3.05 2wk7A1 ASN 249 HD21 -0.73 0.14 0.04 -0.04 7.03 6.45 2wk7A1 ASN 249 HD22 -0.22 0.14 -0.19 -0.04 7.74 7.43 2wk7A1 GLU 250 H 0.06 0.24 0.12 -0.55 8.60 8.47 2wk7A1 GLU 250 HA 0.06 0.20 0.55 -0.75 4.29 4.34 2wk7A1 GLU 250 HB2 0.04 0.04 0.13 -0.04 2.09 2.26 2wk7A1 GLU 250 HB3 0.04 0.04 0.05 -0.04 1.99 2.08 2wk7A1 GLU 250 HG2 0.06 -0.03 -0.13 -0.04 2.34 2.20 2wk7A1 GLU 250 HG3 0.05 0.02 -0.09 -0.04 2.34 2.28 2wk7A1 VAL 251 H 0.15 0.09 -0.27 -0.55 8.24 7.66 2wk7A1 VAL 251 HA 0.10 0.14 0.39 -0.75 4.13 4.00 2wk7A1 VAL 251 HB 0.40 -0.02 0.01 -0.04 2.12 2.47 2wk7A1 VAL 251 HG13 0.02 0.01 -0.20 -0.04 0.97 0.76 2wk7A1 VAL 251 HG23 0.26 0.03 -0.02 -0.04 0.95 1.18 2wk7A1 ASN 252 H 0.10 0.15 -0.26 -0.55 8.53 7.98 2wk7A1 ASN 252 HA -0.01 0.00 0.37 -0.75 4.76 4.37 2wk7A1 ASN 252 HB2 0.04 0.03 -0.07 -0.04 2.88 2.83 2wk7A1 ASN 252 HB3 -0.03 0.10 -0.14 -0.04 2.79 2.68 2wk7A1 ASN 252 HD21 -0.07 0.23 -0.24 -0.04 7.03 6.91 2wk7A1 ASN 252 HD22 0.01 -0.02 -0.42 -0.04 7.74 7.27 2wk7A1 ARG 253 H 0.05 0.33 -0.44 -0.55 8.46 7.85 2wk7A1 ARG 253 HA 0.05 0.07 0.56 -0.75 4.34 4.27 2wk7A1 ARG 253 HB2 0.06 0.29 0.16 -0.04 1.90 2.36 2wk7A1 ARG 253 HB3 0.07 -0.01 -0.04 -0.04 1.80 1.78 2wk7A1 ARG 253 HG2 0.04 -0.03 0.03 -0.04 1.67 1.68 2wk7A1 ARG 253 HG3 0.05 0.01 0.05 -0.04 1.67 1.74 2wk7A1 ARG 253 HD2 0.03 -0.04 -0.14 -0.04 3.22 3.03 2wk7A1 ARG 253 HD3 0.04 -0.04 0.02 -0.04 3.22 3.20 2wk7A1 CYS 254 H 0.05 0.45 -0.23 -0.55 8.50 8.23 2wk7A1 CYS 254 HA 0.22 0.19 0.65 -0.75 4.58 4.88 2wk7A1 CYS 254 HB2 0.05 0.03 0.03 -0.04 2.97 3.03 2wk7A1 CYS 254 HB3 0.07 0.00 -0.01 -0.04 2.97 3.00 2wk7A1 VAL 255 H -0.01 0.37 0.08 -0.55 8.24 8.13 2wk7A1 VAL 255 HA -0.05 0.00 0.37 -0.75 4.13 3.70 2wk7A1 VAL 255 HB -0.09 0.10 0.01 -0.04 2.12 2.09 2wk7A1 VAL 255 HG13 -0.10 -0.01 -0.23 -0.04 0.97 0.58 2wk7A1 VAL 255 HG23 -0.07 0.04 -0.10 -0.04 0.95 0.78 2wk7A1 PRO 256 HA -0.30 -0.04 0.16 -0.51 4.44 3.75 2wk7A1 PRO 256 HB2 -1.27 0.09 -0.15 -0.04 2.28 0.91 2wk7A1 PRO 256 HB3 -0.48 0.00 -0.02 -0.04 2.02 1.48 2wk7A1 PRO 256 HG2 -0.30 0.15 -0.05 -0.04 2.03 1.78 2wk7A1 PRO 256 HG3 -0.24 -0.06 -0.01 -0.04 2.03 1.68 2wk7A1 PRO 256 HD2 -0.13 0.21 -0.79 -0.04 3.68 2.94 2wk7A1 PRO 256 HD3 -0.12 0.04 -0.17 -0.04 3.65 3.36 2wk7A1 PHE 257 H -0.09 0.59 -0.66 -0.55 8.34 7.63 2wk7A1 PHE 257 HA -0.13 0.16 0.93 -0.75 4.62 4.82 2wk7A1 PHE 257 HB2 -0.05 0.08 0.01 -0.04 3.15 3.15 2wk7A1 PHE 257 HB3 -0.07 -0.05 0.11 -0.04 3.06 3.01 2wk7A1 PHE 257 HD2 -0.10 0.03 0.01 -0.04 7.28 7.18 2wk7A1 PHE 257 HE2 -0.09 0.10 0.02 -0.04 7.38 7.37 2wk7A1 PHE 257 HZ -0.07 -0.06 -0.03 -0.04 7.32 7.12 2wk7A1 ILE 258 H -0.00 0.25 0.08 -0.55 8.25 8.02 2wk7A1 ILE 258 HA 0.08 0.21 0.90 -0.75 4.18 4.62 2wk7A1 ILE 258 HB 0.01 -0.05 -0.04 -0.04 1.89 1.78 2wk7A1 ILE 258 HG12 0.05 0.02 -0.09 -0.04 1.49 1.43 2wk7A1 ILE 258 HG13 0.09 -0.05 -0.45 -0.04 1.21 0.76 2wk7A1 ILE 258 HG23 -0.01 0.00 -0.18 -0.04 0.93 0.70 2wk7A1 ILE 258 HD13 0.03 -0.01 -0.10 -0.04 0.88 0.76 2wk7A1 SER 259 H -0.02 0.38 0.18 -0.55 8.46 8.45 2wk7A1 SER 259 HA 0.01 0.09 0.48 -0.75 4.49 4.32 2wk7A1 SER 259 HB2 -0.04 0.11 0.13 -0.04 3.95 4.12 2wk7A1 SER 259 HB3 -0.05 0.12 0.10 -0.04 3.93 4.07 2wk7A1 TYR 260 H 0.17 0.21 0.18 -0.55 8.29 8.31 2wk7A1 TYR 260 HA 0.15 0.12 0.40 -0.75 4.56 4.47 2wk7A1 TYR 260 HB2 0.10 -0.00 0.14 -0.04 3.06 3.26 2wk7A1 TYR 260 HB3 0.19 -0.03 -0.04 -0.04 2.98 3.06 2wk7A1 TYR 260 HD2 0.09 -0.01 -0.07 -0.04 7.15 7.11 2wk7A1 TYR 260 HE2 0.08 0.03 -0.00 -0.04 6.85 6.91 2wk7A1 PRO 261 HA 0.13 0.10 0.37 -0.51 4.44 4.53 2wk7A1 PRO 261 HB2 0.08 -0.00 -0.05 -0.04 2.28 2.26 2wk7A1 PRO 261 HB3 0.12 -0.03 -0.00 -0.04 2.02 2.07 2wk7A1 PRO 261 HG2 0.17 -0.02 -0.02 -0.04 2.03 2.11 2wk7A1 PRO 261 HG3 0.20 0.08 -0.02 -0.04 2.03 2.25 2wk7A1 PRO 261 HD2 0.14 0.04 -0.00 -0.04 3.68 3.81 2wk7A1 PRO 261 HD3 0.24 0.18 0.06 -0.04 3.65 4.10 2wk7A1 ALA 262 H 0.02 0.11 -0.58 -0.55 8.40 7.41 2wk7A1 ALA 262 HA -0.06 0.03 0.29 -0.75 4.34 3.85 2wk7A1 ALA 262 HB3 -0.11 0.02 -0.04 -0.04 1.41 1.24 2wk7A1 ILE 263 H -0.11 0.31 -0.30 -0.55 8.25 7.60 2wk7A1 ILE 263 HA -0.33 0.05 0.76 -0.75 4.18 3.91 2wk7A1 ILE 263 HB -0.68 -0.00 0.10 -0.04 1.89 1.26 2wk7A1 ILE 263 HG12 -0.25 0.00 -0.12 -0.04 1.49 1.08 2wk7A1 ILE 263 HG13 -0.17 0.07 -0.33 -0.04 1.21 0.74 2wk7A1 ILE 263 HG23 -1.08 -0.02 -0.17 -0.04 0.93 -0.38 2wk7A1 ILE 263 HD13 -0.05 0.02 -0.55 -0.04 0.88 0.26 2wk7A1 PHE 264 H -0.10 0.68 0.09 -0.55 8.34 8.47 2wk7A1 PHE 264 HA -0.03 0.12 0.55 -0.75 4.62 4.50 2wk7A1 PHE 264 HB2 -0.07 0.02 0.03 -0.04 3.15 3.10 2wk7A1 PHE 264 HB3 -0.06 -0.04 0.16 -0.04 3.06 3.07 2wk7A1 PHE 264 HD2 -0.18 -0.01 0.01 -0.04 7.28 7.05 2wk7A1 PHE 264 HE2 -0.54 0.01 -0.03 -0.04 7.38 6.77 2wk7A1 PHE 264 HZ -0.20 0.02 -0.03 -0.04 7.32 7.07 2wk7A1 SER 265 H 0.02 0.32 -0.39 -0.55 8.46 7.87 2wk7A1 SER 265 HA 0.07 0.08 0.64 -0.75 4.49 4.53 2wk7A1 SER 265 HB2 0.07 -0.03 -0.08 -0.04 3.95 3.87 2wk7A1 SER 265 HB3 0.04 0.14 0.07 -0.04 3.93 4.14 2wk7A1 SER 266 H 0.05 0.07 0.05 -0.55 8.46 8.09 2wk7A1 SER 266 HA 0.05 0.11 0.16 -0.75 4.49 4.06 2wk7A1 SER 266 HB2 0.08 -0.06 0.09 -0.04 3.95 4.02 2wk7A1 SER 266 HB3 0.09 0.13 -0.03 -0.04 3.93 4.07 2wk7A1 THR 267 H 0.00 0.33 0.25 -0.55 8.28 8.31 2wk7A1 THR 267 HA -0.04 0.02 0.51 -0.75 4.39 4.13 2wk7A1 THR 267 HB -0.05 -0.08 0.14 -0.04 4.32 4.29 2wk7A1 THR 267 HG23 -0.05 0.07 0.03 -0.04 1.22 1.23 2wk7A1 LEU 268 H -0.06 0.05 0.11 -0.55 8.37 7.92 2wk7A1 LEU 268 HA -0.07 0.04 0.60 -0.75 4.35 4.16 2wk7A1 LEU 268 HB2 -0.07 -0.02 0.06 -0.04 1.64 1.58 2wk7A1 LEU 268 HB3 -0.07 0.02 -0.01 -0.04 1.64 1.54 2wk7A1 LEU 268 HG -0.04 -0.03 -0.04 -0.04 1.64 1.49 2wk7A1 LEU 268 HD13 0.07 -0.02 -0.08 -0.04 0.93 0.86 2wk7A1 LEU 268 HD23 -0.04 0.03 0.07 -0.04 0.89 0.91 2wk7A1 LEU 269 H -0.19 0.07 0.20 -0.55 8.37 7.91 2wk7A1 LEU 269 HA -0.20 0.25 0.62 -0.75 4.35 4.27 2wk7A1 LEU 269 HB2 -0.56 -0.11 0.15 -0.04 1.64 1.08 2wk7A1 LEU 269 HB3 -0.10 0.02 0.16 -0.04 1.64 1.67 2wk7A1 LEU 269 HG 0.06 0.02 0.08 -0.04 1.64 1.76 2wk7A1 LEU 269 HD13 -0.67 0.04 -0.01 -0.04 0.93 0.26 2wk7A1 LEU 269 HD23 -0.02 0.00 0.10 -0.04 0.89 0.93 2wk7A1 PRO 270 HA -0.05 0.06 0.42 -0.51 4.44 4.36 2wk7A1 PRO 270 HB2 0.02 0.06 0.01 -0.04 2.28 2.34 2wk7A1 PRO 270 HB3 -0.01 0.06 0.13 -0.04 2.02 2.16 2wk7A1 PRO 270 HG2 -0.02 0.07 0.12 -0.04 2.03 2.17 2wk7A1 PRO 270 HG3 -0.04 0.13 0.14 -0.04 2.03 2.22 2wk7A1 PRO 270 HD2 -0.04 0.09 0.27 -0.04 3.68 3.96 2wk7A1 PRO 270 HD3 -0.12 0.23 0.31 -0.04 3.65 4.03 2wk7A1 TYR 271 H 0.00 0.14 -0.34 -0.55 8.29 7.54 2wk7A1 TYR 271 HA -0.01 0.12 0.47 -0.75 4.56 4.38 2wk7A1 TYR 271 HB2 0.00 0.04 -0.11 -0.04 3.06 2.95 2wk7A1 TYR 271 HB3 -0.00 0.11 -0.03 -0.04 2.98 3.02 2wk7A1 TYR 271 HD2 0.01 0.01 -0.13 -0.04 7.15 7.00 2wk7A1 TYR 271 HE2 0.08 0.01 -0.02 -0.04 6.85 6.87 2wk7A1 GLU 272 H -0.46 0.34 -0.26 -0.55 8.60 7.67 2wk7A1 GLU 272 HA -0.18 0.10 0.56 -0.75 4.29 4.02 2wk7A1 GLU 272 HB2 -0.06 0.06 0.03 -0.04 2.09 2.08 2wk7A1 GLU 272 HB3 0.26 0.00 0.06 -0.04 1.99 2.27 2wk7A1 GLU 272 HG2 -0.78 0.02 0.02 -0.04 2.34 1.56 2wk7A1 GLU 272 HG3 -0.55 0.03 0.14 -0.04 2.34 1.92 2wk7A1 ALA 273 H -0.10 0.32 -0.21 -0.55 8.40 7.86 2wk7A1 ALA 273 HA -0.06 0.01 0.37 -0.75 4.34 3.90 2wk7A1 ALA 273 HB3 -0.04 0.06 0.10 -0.04 1.41 1.49 2wk7A1 ALA 274 H -0.02 0.45 -0.17 -0.55 8.40 8.11 2wk7A1 ALA 274 HA -0.01 -0.02 0.35 -0.75 4.34 3.91 2wk7A1 ALA 274 HB3 0.03 0.06 0.08 -0.04 1.41 1.53 2wk7A1 GLY 275 H -0.07 0.29 -0.58 -0.55 8.43 7.52 2wk7A1 GLY 275 HA2 -0.05 0.01 0.33 -0.51 4.01 3.79 2wk7A1 GLY 275 HA3 -0.16 0.08 0.29 -0.51 4.01 3.71 2wk7A1 LEU 276 H -0.17 0.55 -0.06 -0.55 8.37 8.14 2wk7A1 LEU 276 HA -0.04 0.03 0.33 -0.75 4.35 3.91 2wk7A1 LEU 276 HB2 -0.06 0.14 0.14 -0.04 1.64 1.82 2wk7A1 LEU 276 HB3 0.05 -0.05 -0.08 -0.04 1.64 1.51 2wk7A1 LEU 276 HG 0.10 -0.05 -0.07 -0.04 1.64 1.59 2wk7A1 LEU 276 HD13 -0.21 0.02 -0.08 -0.04 0.93 0.62 2wk7A1 LEU 276 HD23 0.02 -0.01 -0.15 -0.04 0.89 0.72 2wk7A1 GLU 277 H -0.03 0.40 -0.45 -0.55 8.60 7.97 2wk7A1 GLU 277 HA 0.00 -0.02 0.32 -0.75 4.29 3.84 2wk7A1 GLU 277 HB2 -0.02 0.28 0.13 -0.04 2.09 2.44 2wk7A1 GLU 277 HB3 -0.01 -0.02 -0.03 -0.04 1.99 1.88 2wk7A1 GLU 277 HG2 0.00 -0.08 -0.04 -0.04 2.34 2.19 2wk7A1 GLU 277 HG3 -0.01 0.20 -0.01 -0.04 2.34 2.48 2wk7A1 THR 278 H -0.04 0.43 -0.11 -0.55 8.28 8.01 2wk7A1 THR 278 HA -0.05 0.02 0.45 -0.75 4.39 4.05 2wk7A1 THR 278 HB -0.05 0.16 0.17 -0.04 4.32 4.56 2wk7A1 THR 278 HG23 -0.05 0.01 -0.22 -0.04 1.22 0.92 2wk7A1 THR 279 H -0.08 0.42 -0.21 -0.55 8.28 7.86 2wk7A1 THR 279 HA -0.20 -0.04 0.36 -0.75 4.39 3.76 2wk7A1 THR 279 HB -0.04 0.13 0.12 -0.04 4.32 4.49 2wk7A1 THR 279 HG23 -0.31 0.02 -0.04 -0.04 1.22 0.84 2wk7A1 LEU 280 H -0.06 0.63 -0.12 -0.55 8.37 8.28 2wk7A1 LEU 280 HA -0.35 -0.01 0.42 -0.75 4.35 3.65 2wk7A1 LEU 280 HB2 0.12 -0.05 0.03 -0.04 1.64 1.70 2wk7A1 LEU 280 HB3 -0.04 0.17 0.15 -0.04 1.64 1.87 2wk7A1 LEU 280 HG -0.16 0.03 -0.21 -0.04 1.64 1.26 2wk7A1 LEU 280 HD13 -0.75 -0.02 -0.01 -0.04 0.93 0.11 2wk7A1 LEU 280 HD23 0.02 -0.00 -0.18 -0.04 0.89 0.69 2wk7A1 GLU 281 H -0.10 0.46 -0.20 -0.55 8.60 8.20 2wk7A1 GLU 281 HA -0.09 0.03 0.36 -0.75 4.29 3.83 2wk7A1 GLU 281 HB2 -0.07 0.13 0.18 -0.04 2.09 2.30 2wk7A1 GLU 281 HB3 -0.05 -0.05 -0.01 -0.04 1.99 1.84 2wk7A1 GLU 281 HG2 -0.03 -0.03 0.01 -0.04 2.34 2.25 2wk7A1 GLU 281 HG3 -0.04 0.08 0.05 -0.04 2.34 2.39 2wk7A1 ILE 282 H -0.15 0.60 -0.03 -0.55 8.25 8.12 2wk7A1 ILE 282 HA -0.10 -0.02 0.37 -0.75 4.18 3.68 2wk7A1 ILE 282 HB -0.26 0.10 0.16 -0.04 1.89 1.85 2wk7A1 ILE 282 HG12 -0.21 0.50 0.08 -0.04 1.49 1.82 2wk7A1 ILE 282 HG13 -0.47 -0.11 -0.04 -0.04 1.21 0.55 2wk7A1 ILE 282 HG23 -0.25 -0.02 -0.11 -0.04 0.93 0.51 2wk7A1 ILE 282 HD13 -0.17 -0.04 -0.02 -0.04 0.88 0.61 2wk7A1 ILE 283 H -0.25 0.69 -0.12 -0.55 8.25 8.02 2wk7A1 ILE 283 HA -0.11 -0.06 0.37 -0.75 4.18 3.62 2wk7A1 ILE 283 HB -0.43 0.13 0.15 -0.04 1.89 1.69 2wk7A1 ILE 283 HG12 -0.20 -0.06 -0.03 -0.04 1.49 1.16 2wk7A1 ILE 283 HG13 -0.28 -0.05 0.01 -0.04 1.21 0.84 2wk7A1 ILE 283 HG23 -0.07 0.02 -0.14 -0.04 0.93 0.70 2wk7A1 ILE 283 HD13 -0.94 0.02 -0.19 -0.04 0.88 -0.27 2wk7A1 GLU 284 H -0.17 0.76 -0.03 -0.55 8.60 8.61 2wk7A1 GLU 284 HA 0.06 0.20 0.47 -0.75 4.29 4.26 2wk7A1 GLU 284 HB2 -0.07 0.07 0.21 -0.04 2.09 2.26 2wk7A1 GLU 284 HB3 0.01 -0.10 0.02 -0.04 1.99 1.88 2wk7A1 GLU 284 HG2 0.14 -0.01 0.07 -0.04 2.34 2.50 2wk7A1 GLU 284 HG3 -0.29 0.03 0.05 -0.04 2.34 2.09 2wk7A1 SER 285 H -0.05 0.49 -0.48 -0.55 8.46 7.88 2wk7A1 SER 285 HA 0.01 0.06 0.57 -0.75 4.49 4.37 2wk7A1 SER 285 HB2 0.00 -0.12 0.15 -0.04 3.95 3.94 2wk7A1 SER 285 HB3 -0.02 0.08 0.10 -0.04 3.93 4.05 2wk7A1 ALA 286 H -0.01 0.61 -0.21 -0.55 8.40 8.23 2wk7A1 ALA 286 HA 0.01 0.04 0.42 -0.75 4.34 4.06 2wk7A1 ALA 286 HB3 -0.00 0.01 0.13 -0.04 1.41 1.50 2wk7A1 ASP 287 H 0.02 0.46 -0.28 -0.55 8.40 8.04 2wk7A1 ASP 287 HA 0.02 0.05 0.37 -0.75 4.63 4.32 2wk7A1 ASP 287 HB2 0.02 0.00 0.13 -0.04 2.71 2.82 2wk7A1 ASP 287 HB3 0.02 -0.03 0.06 -0.04 2.70 2.71 2wk7A1 ASN 288 H 0.02 0.19 -0.10 -0.55 8.53 8.09 2wk7A1 ASN 288 HA 0.02 0.05 0.43 -0.75 4.76 4.51 2wk7A1 ASN 288 HB2 0.01 0.04 -0.01 -0.04 2.88 2.88 2wk7A1 ASN 288 HB3 0.01 0.04 0.11 -0.04 2.79 2.91 2wk7A1 ASN 288 HD21 0.02 0.06 0.02 -0.04 7.03 7.09 2wk7A1 ASN 288 HD22 0.01 0.04 -0.01 -0.04 7.74 7.74 2wk7A1 ARG 289 H 0.03 0.14 -0.10 -0.55 8.46 7.98 2wk7A1 ARG 289 HA 0.08 0.05 0.45 -0.75 4.34 4.17 2wk7A1 ARG 289 HB2 0.04 0.12 0.14 -0.04 1.90 2.16 2wk7A1 ARG 289 HB3 0.07 -0.05 0.12 -0.04 1.80 1.89 2wk7A1 ARG 289 HG2 0.05 0.03 0.05 -0.04 1.67 1.75 2wk7A1 ARG 289 HG3 0.03 -0.09 0.06 -0.04 1.67 1.63 2wk7A1 ARG 289 HD2 0.03 -0.02 0.04 -0.04 3.22 3.23 2wk7A1 ARG 289 HD3 0.05 0.16 0.06 -0.04 3.22 3.45 2wk7A1 ARG 290 H 0.04 0.45 -0.30 -0.55 8.46 8.08 2wk7A1 ARG 290 HA 0.01 0.02 0.51 -0.75 4.34 4.13 2wk7A1 ARG 290 HB2 0.01 0.15 0.23 -0.04 1.90 2.25 2wk7A1 ARG 290 HB3 -0.02 -0.04 -0.05 -0.04 1.80 1.64 2wk7A1 ARG 290 HG2 -0.00 0.04 0.01 -0.04 1.67 1.67 2wk7A1 ARG 290 HG3 0.03 0.04 -0.00 -0.04 1.67 1.70 2wk7A1 ARG 290 HD2 0.02 -0.07 -0.10 -0.04 3.22 3.02 2wk7A1 ARG 290 HD3 0.01 -0.05 -0.21 -0.04 3.22 2.92 2wk7A1 GLN 291 H 0.03 0.63 0.12 -0.55 8.47 8.70 2wk7A1 GLN 291 HA -0.00 -0.02 0.37 -0.75 4.36 3.96 2wk7A1 GLN 291 HB2 0.02 0.04 0.17 -0.04 2.15 2.34 2wk7A1 GLN 291 HB3 0.05 0.08 0.16 -0.04 2.02 2.27 2wk7A1 GLN 291 HG2 0.03 -0.01 -0.08 -0.04 2.40 2.30 2wk7A1 GLN 291 HG3 0.01 -0.04 0.09 -0.04 2.39 2.41 2wk7A1 GLN 291 HE21 0.01 0.00 0.01 -0.04 6.97 6.95 2wk7A1 GLN 291 HE22 0.01 -0.01 0.02 -0.04 7.69 7.66 2wk7A1 HIS 292 H 0.13 0.48 -0.28 -0.55 8.41 8.20 2wk7A1 HIS 292 HA 0.01 -0.03 0.36 -0.75 4.63 4.21 2wk7A1 HIS 292 HB2 0.01 0.02 0.12 -0.04 3.26 3.37 2wk7A1 HIS 292 HB3 0.02 0.08 0.17 -0.04 3.20 3.42 2wk7A1 HIS 292 HD2 0.03 0.12 0.10 -0.04 6.97 7.17 2wk7A1 HIS 292 HE1 0.02 -0.17 0.06 -0.04 7.75 7.61 2wk7A1 LEU 293 H 0.06 0.54 -0.03 -0.55 8.37 8.40 2wk7A1 LEU 293 HA -0.11 -0.03 0.32 -0.75 4.35 3.78 2wk7A1 LEU 293 HB2 0.05 0.08 0.16 -0.04 1.64 1.88 2wk7A1 LEU 293 HB3 -0.01 0.12 0.20 -0.04 1.64 1.90 2wk7A1 LEU 293 HG -0.04 -0.06 -0.20 -0.04 1.64 1.30 2wk7A1 LEU 293 HD13 0.03 -0.02 -0.27 -0.04 0.93 0.63 2wk7A1 LEU 293 HD23 0.03 0.02 -0.04 -0.04 0.89 0.85 2wk7A1 ASP 294 H -0.05 0.76 -0.12 -0.55 8.40 8.45 2wk7A1 ASP 294 HA -0.06 -0.05 0.32 -0.75 4.63 4.08 2wk7A1 ASP 294 HB2 -0.09 0.01 0.08 -0.04 2.71 2.67 2wk7A1 ASP 294 HB3 -0.04 0.13 0.18 -0.04 2.70 2.92 2wk7A1 ARG 295 H -0.05 0.63 -0.04 -0.55 8.46 8.45 2wk7A1 ARG 295 HA -0.03 -0.03 0.40 -0.75 4.34 3.93 2wk7A1 ARG 295 HB2 -0.05 0.13 0.19 -0.04 1.90 2.13 2wk7A1 ARG 295 HB3 -0.02 -0.08 0.04 -0.04 1.80 1.70 2wk7A1 ARG 295 HG2 -0.01 -0.08 0.06 -0.04 1.67 1.61 2wk7A1 ARG 295 HG3 0.00 0.22 0.08 -0.04 1.67 1.93 2wk7A1 ARG 295 HD2 0.01 -0.03 0.02 -0.04 3.22 3.18 2wk7A1 ARG 295 HD3 0.01 -0.02 0.01 -0.04 3.22 3.18 2wk7A1 MET 296 H -0.18 0.69 -0.04 -0.55 8.47 8.40 2wk7A1 MET 296 HA -0.08 -0.06 0.40 -0.75 4.52 4.03 2wk7A1 MET 296 HB2 -0.15 0.09 0.03 -0.04 2.15 2.08 2wk7A1 MET 296 HB3 -0.10 -0.11 -0.05 -0.04 2.03 1.73 2wk7A1 MET 296 HG2 -0.64 0.52 0.03 -0.04 2.63 2.50 2wk7A1 MET 296 HG3 -0.58 0.10 -0.10 -0.04 2.56 1.95 2wk7A1 MET 296 HE3 -0.02 -0.03 -0.25 -0.04 2.10 1.77 2wk7A1 ALA 297 H -0.06 0.72 -0.15 -0.55 8.40 8.36 2wk7A1 ALA 297 HA -0.01 -0.02 0.43 -0.75 4.34 3.98 2wk7A1 ALA 297 HB3 -0.02 0.09 -0.04 -0.04 1.41 1.40 2wk7A1 ARG 298 H -0.03 0.50 -0.19 -0.55 8.46 8.19 2wk7A1 ARG 298 HA -0.00 0.03 0.41 -0.75 4.34 4.02 2wk7A1 ARG 298 HB2 -0.01 0.04 0.09 -0.04 1.90 1.98 2wk7A1 ARG 298 HB3 -0.01 0.14 0.16 -0.04 1.80 2.05 2wk7A1 ARG 298 HG2 -0.00 -0.02 -0.13 -0.04 1.67 1.48 2wk7A1 ARG 298 HG3 0.00 -0.04 0.06 -0.04 1.67 1.65 2wk7A1 ARG 298 HD2 -0.00 -0.01 -0.01 -0.04 3.22 3.16 2wk7A1 ARG 298 HD3 0.00 -0.02 -0.01 -0.04 3.22 3.15 2wk7A1 LYS 299 H -0.02 0.52 -0.08 -0.55 8.42 8.29 2wk7A1 LYS 299 HA -0.00 0.02 0.44 -0.75 4.32 4.02 2wk7A1 LYS 299 HB2 -0.02 0.11 0.17 -0.04 1.87 2.10 2wk7A1 LYS 299 HB3 -0.00 -0.05 -0.05 -0.04 1.79 1.65 2wk7A1 LYS 299 HG2 0.00 -0.02 0.04 -0.04 1.46 1.45 2wk7A1 LYS 299 HG3 -0.00 0.05 0.02 -0.04 1.46 1.49 2wk7A1 LYS 299 HD2 0.00 -0.02 -0.01 -0.04 1.69 1.61 2wk7A1 LYS 299 HD3 0.01 -0.02 0.00 -0.04 1.68 1.62 2wk7A1 LYS 299 HE2 0.01 0.02 -0.00 -0.04 2.99 2.97 2wk7A1 LYS 299 HE3 0.01 0.00 -0.01 -0.04 2.99 2.95 2wk7A1 LEU 300 H -0.01 0.49 -0.27 -0.55 8.37 8.04 2wk7A1 LEU 300 HA 0.00 -0.01 0.32 -0.75 4.35 3.91 2wk7A1 LEU 300 HB2 0.00 0.16 0.14 -0.04 1.64 1.90 2wk7A1 LEU 300 HB3 0.00 0.07 -0.04 -0.04 1.64 1.63 2wk7A1 LEU 300 HG 0.02 -0.05 -0.02 -0.04 1.64 1.54 2wk7A1 LEU 300 HD13 0.02 -0.00 -0.10 -0.04 0.93 0.81 2wk7A1 LEU 300 HD23 0.01 -0.02 -0.02 -0.04 0.89 0.82 2wk7A1 ARG 301 H -0.00 0.55 -0.17 -0.55 8.46 8.28 2wk7A1 ARG 301 HA -0.00 0.00 0.38 -0.75 4.34 3.96 2wk7A1 ARG 301 HB2 0.00 0.09 0.18 -0.04 1.90 2.14 2wk7A1 ARG 301 HB3 0.00 -0.00 -0.04 -0.04 1.80 1.72 2wk7A1 ARG 301 HG2 0.01 -0.06 -0.05 -0.04 1.67 1.52 2wk7A1 ARG 301 HG3 0.00 0.07 -0.03 -0.04 1.67 1.68 2wk7A1 ARG 301 HD2 0.01 -0.00 -0.08 -0.04 3.22 3.10 2wk7A1 ARG 301 HD3 0.02 -0.06 -0.43 -0.04 3.22 2.70 2wk7A1 ILE 302 H -0.00 0.58 -0.05 -0.55 8.25 8.23 2wk7A1 ILE 302 HA 0.00 0.02 0.49 -0.75 4.18 3.93 2wk7A1 ILE 302 HB 0.00 0.08 0.13 -0.04 1.89 2.06 2wk7A1 ILE 302 HG12 0.00 -0.05 0.04 -0.04 1.49 1.44 2wk7A1 ILE 302 HG13 0.00 0.11 0.14 -0.04 1.21 1.42 2wk7A1 ILE 302 HG23 0.00 -0.02 -0.12 -0.04 0.93 0.76 2wk7A1 ILE 302 HD13 0.00 -0.03 -0.05 -0.04 0.88 0.76 2wk7A1 GLY 303 H -0.00 0.58 -0.20 -0.55 8.43 8.26 2wk7A1 GLY 303 HA2 0.00 -0.02 0.30 -0.51 4.01 3.77 2wk7A1 GLY 303 HA3 0.00 0.04 0.29 -0.51 4.01 3.83 2wk7A1 LEU 304 H -0.01 0.48 -0.31 -0.55 8.37 7.99 2wk7A1 LEU 304 HA -0.03 0.05 0.46 -0.75 4.35 4.08 2wk7A1 LEU 304 HB2 -0.03 0.07 0.10 -0.04 1.64 1.74 2wk7A1 LEU 304 HB3 -0.06 -0.05 -0.04 -0.04 1.64 1.45 2wk7A1 LEU 304 HG -0.01 0.12 0.05 -0.04 1.64 1.76 2wk7A1 LEU 304 HD13 -0.01 -0.03 -0.12 -0.04 0.93 0.73 2wk7A1 LEU 304 HD23 -0.03 -0.01 -0.10 -0.04 0.89 0.72 2wk7A1 SER 305 H -0.01 0.69 0.07 -0.55 8.46 8.65 2wk7A1 SER 305 HA -0.02 0.17 0.48 -0.75 4.49 4.36 2wk7A1 SER 305 HB2 -0.00 0.03 0.19 -0.04 3.95 4.13 2wk7A1 SER 305 HB3 -0.00 -0.08 0.04 -0.04 3.93 3.85 2wk7A1 GLN 306 H -0.01 0.62 -0.30 -0.55 8.47 8.24 2wk7A1 GLN 306 HA -0.00 -0.01 0.40 -0.75 4.36 3.99 2wk7A1 GLN 306 HB2 -0.00 0.21 0.05 -0.04 2.15 2.37 2wk7A1 GLN 306 HB3 -0.00 -0.07 0.05 -0.04 2.02 1.95 2wk7A1 GLN 306 HG2 0.00 -0.07 0.04 -0.04 2.40 2.32 2wk7A1 GLN 306 HG3 -0.00 0.04 0.04 -0.04 2.39 2.43 2wk7A1 GLN 306 HE21 0.00 -0.06 -0.06 -0.04 6.97 6.81 2wk7A1 GLN 306 HE22 0.00 -0.03 -0.04 -0.04 7.69 7.58 2wk7A1 LEU 307 H -0.03 0.47 -0.58 -0.55 8.37 7.69 2wk7A1 LEU 307 HA -0.02 0.07 0.72 -0.75 4.35 4.38 2wk7A1 LEU 307 HB2 -0.05 0.23 0.23 -0.04 1.64 2.00 2wk7A1 LEU 307 HB3 -0.06 -0.07 0.10 -0.04 1.64 1.56 2wk7A1 LEU 307 HG -0.01 -0.04 0.10 -0.04 1.64 1.65 2wk7A1 LEU 307 HD13 -0.00 0.11 -0.04 -0.04 0.93 0.96 2wk7A1 LEU 307 HD23 -0.02 -0.00 -0.10 -0.04 0.89 0.72 2wk7A1 GLY 308 H -0.02 0.62 -0.28 -0.55 8.43 8.20 2wk7A1 GLY 308 HA2 -0.01 -0.00 0.30 -0.51 4.01 3.79 2wk7A1 GLY 308 HA3 -0.01 0.07 0.60 -0.51 4.01 4.16 2wk7A1 LEU 309 H -0.07 0.17 -0.31 -0.55 8.37 7.61 2wk7A1 LEU 309 HA -0.07 0.03 0.44 -0.75 4.35 3.99 2wk7A1 LEU 309 HB2 -0.12 -0.01 -0.16 -0.04 1.64 1.31 2wk7A1 LEU 309 HB3 -0.19 0.03 -0.09 -0.04 1.64 1.36 2wk7A1 LEU 309 HG -0.23 0.06 -0.10 -0.04 1.64 1.33 2wk7A1 LEU 309 HD13 -0.25 -0.01 -0.06 -0.04 0.93 0.58 2wk7A1 LEU 309 HD23 -0.91 -0.00 -0.03 -0.04 0.89 -0.09 2wk7A1 THR 310 H 0.01 0.28 0.18 -0.55 8.28 8.20 2wk7A1 THR 310 HA 0.01 0.04 0.58 -0.75 4.39 4.27 2wk7A1 THR 310 HB 0.04 0.11 0.25 -0.04 4.32 4.67 2wk7A1 THR 310 HG23 0.02 -0.05 -0.05 -0.04 1.22 1.10 2wk7A1 ILE 311 H 0.00 0.22 0.08 -0.55 8.25 8.00 2wk7A1 ILE 311 HA -0.01 0.21 0.93 -0.75 4.18 4.56 2wk7A1 ILE 311 HB -0.01 0.04 0.19 -0.04 1.89 2.07 2wk7A1 ILE 311 HG12 -0.04 0.13 -0.66 -0.04 1.49 0.88 2wk7A1 ILE 311 HG13 -0.03 -0.06 -0.14 -0.04 1.21 0.94 2wk7A1 ILE 311 HG23 -0.00 -0.00 0.00 -0.04 0.93 0.89 2wk7A1 ILE 311 HD13 -0.03 0.04 -0.08 -0.04 0.88 0.77 2wk7A1 ARG 312 H 0.00 0.19 0.03 -0.55 8.46 8.14 2wk7A1 ARG 312 HA 0.03 0.09 0.34 -0.75 4.34 4.05 2wk7A1 ARG 312 HB2 0.01 -0.02 0.08 -0.04 1.90 1.92 2wk7A1 ARG 312 HB3 0.05 -0.06 0.04 -0.04 1.80 1.79 2wk7A1 ARG 312 HG2 0.03 0.04 -0.02 -0.04 1.67 1.68 2wk7A1 ARG 312 HG3 0.01 0.05 0.01 -0.04 1.67 1.69 2wk7A1 ARG 312 HD2 0.03 -0.08 -0.01 -0.04 3.22 3.12 2wk7A1 ARG 312 HD3 0.05 0.02 -0.00 -0.04 3.22 3.25 2wk7A1 SER 313 H 0.01 -0.05 -0.20 -0.55 8.46 7.67 2wk7A1 SER 313 HA 0.04 -0.12 -0.15 -0.75 4.49 3.51 2wk7A1 SER 313 HB2 0.00 0.19 0.38 -0.04 3.95 4.48 2wk7A1 SER 313 HB3 0.01 -0.09 0.12 -0.04 3.93 3.93 2wk7A1 GLU 314 H 0.05 0.44 0.19 -0.55 8.60 8.73 2wk7A1 GLU 314 HA 0.03 0.20 0.55 -0.75 4.29 4.32 2wk7A1 GLU 314 HB2 0.06 -0.14 0.14 -0.04 2.09 2.10 2wk7A1 GLU 314 HB3 0.05 -0.07 0.27 -0.04 1.99 2.20 2wk7A1 GLU 314 HG2 0.03 0.05 0.19 -0.04 2.34 2.57 2wk7A1 GLU 314 HG3 0.04 0.17 -0.00 -0.04 2.34 2.51 2wk7A1 SER 315 H 0.02 0.20 0.08 -0.55 8.46 8.22 2wk7A1 SER 315 HA 0.06 0.22 0.82 -0.75 4.49 4.84 2wk7A1 SER 315 HB2 0.05 -0.11 0.19 -0.04 3.95 4.03 2wk7A1 SER 315 HB3 0.04 0.05 -0.17 -0.04 3.93 3.81 2wk7A1 GLN 316 H -0.03 0.13 0.13 -0.55 8.47 8.15 2wk7A1 GLN 316 HA -0.02 0.18 0.63 -0.75 4.36 4.40 2wk7A1 GLN 316 HB2 -0.06 0.03 0.11 -0.04 2.15 2.19 2wk7A1 GLN 316 HB3 -0.09 0.01 0.04 -0.04 2.02 1.94 2wk7A1 GLN 316 HG2 -0.37 0.01 -0.29 -0.04 2.40 1.71 2wk7A1 GLN 316 HG3 -0.64 0.07 -0.00 -0.04 2.39 1.77 2wk7A1 GLN 316 HE21 -0.22 0.34 0.12 -0.04 6.97 7.16 2wk7A1 GLN 316 HE22 -1.77 -0.06 0.01 -0.04 7.69 5.83 2wk7A1 ILE 317 H -0.04 -0.02 -0.25 -0.55 8.25 7.39 2wk7A1 ILE 317 HA 0.02 0.28 0.92 -0.75 4.18 4.65 2wk7A1 ILE 317 HB -0.05 -0.15 0.03 -0.04 1.89 1.68 2wk7A1 ILE 317 HG12 0.05 0.10 -0.11 -0.04 1.49 1.49 2wk7A1 ILE 317 HG13 -0.11 -0.12 -0.11 -0.04 1.21 0.83 2wk7A1 ILE 317 HG23 -0.06 0.02 -0.48 -0.04 0.93 0.37 2wk7A1 ILE 317 HD13 -0.30 0.02 -0.12 -0.04 0.88 0.45 2wk7A1 ILE 318 H 0.03 0.71 0.19 -0.55 8.25 8.62 2wk7A1 ILE 318 HA -0.00 0.14 1.01 -0.75 4.18 4.58 2wk7A1 ILE 318 HB 0.02 0.04 0.11 -0.04 1.89 2.02 2wk7A1 ILE 318 HG12 0.01 0.00 -0.15 -0.04 1.49 1.31 2wk7A1 ILE 318 HG13 0.00 0.01 -0.08 -0.04 1.21 1.10 2wk7A1 ILE 318 HG23 0.00 -0.01 -0.26 -0.04 0.93 0.62 2wk7A1 ILE 318 HD13 0.01 -0.02 -0.43 -0.04 0.88 0.40 2wk7A1 GLY 319 H -0.01 0.14 0.12 -0.55 8.43 8.13 2wk7A1 GLY 319 HA2 -0.02 0.17 0.76 -0.51 4.01 4.41 2wk7A1 GLY 319 HA3 -0.04 -0.05 0.35 -0.51 4.01 3.75 2wk7A1 LEU 320 H 0.03 0.56 0.23 -0.55 8.37 8.65 2wk7A1 LEU 320 HA 0.04 0.17 0.84 -0.75 4.35 4.65 2wk7A1 LEU 320 HB2 0.08 0.13 0.33 -0.04 1.64 2.14 2wk7A1 LEU 320 HB3 0.20 0.01 -0.00 -0.04 1.64 1.80 2wk7A1 LEU 320 HG 0.04 0.00 -0.01 -0.04 1.64 1.63 2wk7A1 LEU 320 HD13 0.10 -0.00 -0.05 -0.04 0.93 0.94 2wk7A1 LEU 320 HD23 -0.06 0.02 -0.04 -0.04 0.89 0.77 2wk7A1 GLU 321 H 0.11 0.31 0.18 -0.55 8.60 8.64 2wk7A1 GLU 321 HA 0.04 0.18 0.83 -0.75 4.29 4.58 2wk7A1 GLU 321 HB2 0.10 -0.07 0.24 -0.04 2.09 2.32 2wk7A1 GLU 321 HB3 0.04 -0.02 0.08 -0.04 1.99 2.05 2wk7A1 GLU 321 HG2 -0.00 -0.03 -0.24 -0.04 2.34 2.03 2wk7A1 GLU 321 HG3 0.03 0.25 0.12 -0.04 2.34 2.70 2wk7A1 THR 322 H -0.00 0.55 0.20 -0.55 8.28 8.48 2wk7A1 THR 322 HA -0.20 0.26 0.76 -0.75 4.39 4.46 2wk7A1 THR 322 HB -0.29 -0.01 0.04 -0.04 4.32 4.02 2wk7A1 THR 322 HG23 -0.08 0.02 -0.26 -0.04 1.22 0.86 2wk7A1 GLY 323 H 0.02 0.04 -0.07 -0.55 8.43 7.87 2wk7A1 GLY 323 HA2 0.10 0.10 0.39 -0.51 4.01 4.09 2wk7A1 GLY 323 HA3 0.16 -0.05 0.28 -0.51 4.01 3.89 2wk7A1 ASP 324 H 0.12 0.03 0.22 -0.55 8.40 8.22 2wk7A1 ASP 324 HA -0.01 0.25 0.58 -0.75 4.63 4.70 2wk7A1 ASP 324 HB2 -0.01 -0.09 0.22 -0.04 2.71 2.79 2wk7A1 ASP 324 HB3 0.04 0.05 0.19 -0.04 2.70 2.94 2wk7A1 GLU 325 H -0.05 0.16 0.23 -0.55 8.60 8.39 2wk7A1 GLU 325 HA -0.08 0.13 0.33 -0.75 4.29 3.91 2wk7A1 GLU 325 HB2 -0.09 0.00 0.12 -0.04 2.09 2.08 2wk7A1 GLU 325 HB3 -0.10 0.04 0.10 -0.04 1.99 1.98 2wk7A1 GLU 325 HG2 -0.06 0.12 0.17 -0.04 2.34 2.53 2wk7A1 GLU 325 HG3 -0.08 -0.03 0.18 -0.04 2.34 2.37 2wk7A1 ARG 326 H -0.06 0.05 -0.05 -0.55 8.46 7.85 2wk7A1 ARG 326 HA -0.07 0.13 0.44 -0.75 4.34 4.09 2wk7A1 ARG 326 HB2 -0.03 -0.00 0.06 -0.04 1.90 1.88 2wk7A1 ARG 326 HB3 -0.04 0.09 0.07 -0.04 1.80 1.89 2wk7A1 ARG 326 HG2 -0.04 0.09 0.06 -0.04 1.67 1.74 2wk7A1 ARG 326 HG3 -0.04 -0.17 0.14 -0.04 1.67 1.56 2wk7A1 ARG 326 HD2 -0.02 -0.01 0.05 -0.04 3.22 3.20 2wk7A1 ARG 326 HD3 -0.00 -0.01 0.05 -0.04 3.22 3.22 2wk7A1 ASN 327 H -0.09 0.02 -0.13 -0.55 8.53 7.79 2wk7A1 ASN 327 HA -0.17 0.07 0.43 -0.75 4.76 4.33 2wk7A1 ASN 327 HB2 -0.17 -0.08 0.13 -0.04 2.88 2.72 2wk7A1 ASN 327 HB3 -0.41 0.15 0.10 -0.04 2.79 2.59 2wk7A1 ASN 327 HD21 -1.08 0.36 0.02 -0.04 7.03 6.29 2wk7A1 ASN 327 HD22 -0.90 0.39 -0.19 -0.04 7.74 7.00 2wk7A1 THR 328 H -0.18 0.59 -0.22 -0.55 8.28 7.93 2wk7A1 THR 328 HA -0.25 0.04 0.45 -0.75 4.39 3.88 2wk7A1 THR 328 HB -0.11 0.05 0.05 -0.04 4.32 4.26 2wk7A1 THR 328 HG23 -0.08 -0.04 -0.23 -0.04 1.22 0.83 2wk7A1 GLU 329 H -0.13 0.54 -0.21 -0.55 8.60 8.26 2wk7A1 GLU 329 HA -0.10 0.01 0.40 -0.75 4.29 3.84 2wk7A1 GLU 329 HB2 -0.08 -0.00 0.17 -0.04 2.09 2.13 2wk7A1 GLU 329 HB3 -0.09 0.21 0.25 -0.04 1.99 2.32 2wk7A1 GLU 329 HG2 -0.06 0.00 -0.17 -0.04 2.34 2.07 2wk7A1 GLU 329 HG3 -0.06 -0.01 0.09 -0.04 2.34 2.32 2wk7A1 LYS 330 H -0.18 0.35 -0.28 -0.55 8.42 7.76 2wk7A1 LYS 330 HA -0.10 0.01 0.50 -0.75 4.32 3.98 2wk7A1 LYS 330 HB2 -0.18 0.13 0.17 -0.04 1.87 1.95 2wk7A1 LYS 330 HB3 -0.00 -0.00 0.02 -0.04 1.79 1.76 2wk7A1 LYS 330 HG2 -0.04 -0.06 0.02 -0.04 1.46 1.35 2wk7A1 LYS 330 HG3 -0.07 0.13 0.06 -0.04 1.46 1.53 2wk7A1 LYS 330 HD2 0.05 0.06 0.07 -0.04 1.69 1.83 2wk7A1 LYS 330 HD3 -0.00 -0.07 0.03 -0.04 1.68 1.59 2wk7A1 LYS 330 HE2 -0.02 -0.01 0.14 -0.04 2.99 3.06 2wk7A1 LYS 330 HE3 0.04 0.29 0.18 -0.04 2.99 3.46 2wk7A1 VAL 331 H -0.46 0.52 -0.02 -0.55 8.24 7.73 2wk7A1 VAL 331 HA -1.20 0.05 0.40 -0.75 4.13 2.63 2wk7A1 VAL 331 HB -0.36 0.03 0.10 -0.04 2.12 1.85 2wk7A1 VAL 331 HG13 -0.26 -0.02 -0.08 -0.04 0.97 0.58 2wk7A1 VAL 331 HG23 -0.86 0.12 0.05 -0.04 0.95 0.22 2wk7A1 ARG 332 H -0.21 0.57 -0.20 -0.55 8.46 8.06 2wk7A1 ARG 332 HA -0.13 -0.00 0.37 -0.75 4.34 3.82 2wk7A1 ARG 332 HB2 -0.09 -0.02 0.04 -0.04 1.90 1.79 2wk7A1 ARG 332 HB3 -0.11 0.15 0.13 -0.04 1.80 1.92 2wk7A1 ARG 332 HG2 -0.11 -0.02 -0.43 -0.04 1.67 1.07 2wk7A1 ARG 332 HG3 -0.08 -0.07 -0.06 -0.04 1.67 1.41 2wk7A1 ARG 332 HD2 -0.02 -0.10 -0.22 -0.04 3.22 2.84 2wk7A1 ARG 332 HD3 -0.04 0.09 -0.10 -0.04 3.22 3.13 2wk7A1 ASP 333 H -0.12 0.50 -0.10 -0.55 8.40 8.13 2wk7A1 ASP 333 HA -0.10 -0.03 0.39 -0.75 4.63 4.14 2wk7A1 ASP 333 HB2 -0.05 0.11 0.18 -0.04 2.71 2.91 2wk7A1 ASP 333 HB3 -0.03 -0.05 0.05 -0.04 2.70 2.62 2wk7A1 TYR 334 H -0.04 0.53 -0.29 -0.55 8.29 7.93 2wk7A1 TYR 334 HA -0.02 -0.02 0.44 -0.75 4.56 4.20 2wk7A1 TYR 334 HB2 0.00 0.00 0.10 -0.04 3.06 3.12 2wk7A1 TYR 334 HB3 -0.26 0.14 0.15 -0.04 2.98 2.96 2wk7A1 TYR 334 HD2 0.08 0.01 -0.15 -0.04 7.15 7.06 2wk7A1 TYR 334 HE2 0.02 0.10 -0.03 -0.04 6.85 6.90 2wk7A1 LEU 335 H -0.02 0.56 -0.03 -0.55 8.37 8.33 2wk7A1 LEU 335 HA 0.00 -0.04 0.47 -0.75 4.35 4.03 2wk7A1 LEU 335 HB2 -0.08 0.07 0.21 -0.04 1.64 1.81 2wk7A1 LEU 335 HB3 -0.11 0.25 0.05 -0.04 1.64 1.79 2wk7A1 LEU 335 HG 0.04 -0.07 -0.02 -0.04 1.64 1.55 2wk7A1 LEU 335 HD13 0.21 0.00 -0.06 -0.04 0.93 1.04 2wk7A1 LEU 335 HD23 0.03 -0.02 -0.08 -0.04 0.89 0.79 2wk7A1 GLU 336 H -0.25 0.48 -0.12 -0.55 8.60 8.16 2wk7A1 GLU 336 HA -0.76 0.03 0.63 -0.75 4.29 3.43 2wk7A1 GLU 336 HB2 -0.26 0.02 0.08 -0.04 2.09 1.89 2wk7A1 GLU 336 HB3 -0.55 -0.13 -0.01 -0.04 1.99 1.26 2wk7A1 GLU 336 HG2 -1.25 0.00 -0.02 -0.04 2.34 1.03 2wk7A1 GLU 336 HG3 -0.39 0.39 0.09 -0.04 2.34 2.40 2wk7A1 SER 337 H -0.17 0.59 -0.02 -0.55 8.46 8.31 2wk7A1 SER 337 HA -0.06 -0.09 0.42 -0.75 4.49 4.00 2wk7A1 SER 337 HB2 -0.24 0.14 0.21 -0.04 3.95 4.02 2wk7A1 SER 337 HB3 -0.11 -0.12 0.03 -0.04 3.93 3.69 2wk7A1 ASN 338 H -0.22 0.40 -0.20 -0.55 8.53 7.96 2wk7A1 ASN 338 HA -0.04 0.05 0.73 -0.75 4.76 4.75 2wk7A1 ASN 338 HB2 -0.10 0.10 0.05 -0.04 2.88 2.90 2wk7A1 ASN 338 HB3 -0.03 -0.13 0.08 -0.04 2.79 2.68 2wk7A1 ASN 338 HD21 -0.04 -0.02 -0.02 -0.04 7.03 6.91 2wk7A1 ASN 338 HD22 -0.02 -0.06 0.03 -0.04 7.74 7.65 2wk7A1 GLY 339 H 0.03 0.04 0.04 -0.55 8.43 7.99 2wk7A1 GLY 339 HA2 0.19 0.14 0.13 -0.51 4.01 3.96 2wk7A1 GLY 339 HA3 0.10 -0.10 0.39 -0.51 4.01 3.89 2wk7A1 VAL 340 H -0.06 1.19 0.25 -0.55 8.24 9.07 2wk7A1 VAL 340 HA 0.16 0.22 1.21 -0.75 4.13 4.96 2wk7A1 VAL 340 HB -0.01 0.09 0.11 -0.04 2.12 2.26 2wk7A1 VAL 340 HG13 0.06 -0.04 -0.18 -0.04 0.97 0.77 2wk7A1 VAL 340 HG23 0.05 -0.03 -0.27 -0.04 0.95 0.65 2wk7A1 PHE 341 H 0.38 0.60 0.25 -0.55 8.34 9.01 2wk7A1 PHE 341 HA 0.03 0.11 0.82 -0.75 4.62 4.83 2wk7A1 PHE 341 HB2 0.02 -0.14 0.13 -0.04 3.15 3.13 2wk7A1 PHE 341 HB3 0.02 0.10 0.04 -0.04 3.06 3.18 2wk7A1 PHE 341 HD2 0.01 0.00 -0.19 -0.04 7.28 7.06 2wk7A1 PHE 341 HE2 -0.00 0.06 -0.13 -0.04 7.38 7.28 2wk7A1 PHE 341 HZ -0.00 0.05 -0.21 -0.04 7.32 7.11 2wk7A1 GLY 342 H 0.12 0.25 0.05 -0.55 8.43 8.31 2wk7A1 GLY 342 HA2 0.06 0.04 0.24 -0.51 4.01 3.85 2wk7A1 GLY 342 HA3 0.05 0.10 0.36 -0.51 4.01 4.02 2wk7A1 SER 343 H 0.11 0.15 0.06 -0.55 8.46 8.23 2wk7A1 SER 343 HA 0.07 0.13 0.83 -0.75 4.49 4.77 2wk7A1 SER 343 HB2 0.16 0.22 0.06 -0.04 3.95 4.35 2wk7A1 SER 343 HB3 0.29 -0.14 0.24 -0.04 3.93 4.28 2wk7A1 VAL 344 H 0.01 0.22 0.12 -0.55 8.24 8.04 2wk7A1 VAL 344 HA 0.07 0.12 0.58 -0.75 4.13 4.15 2wk7A1 VAL 344 HB 0.00 -0.07 0.15 -0.04 2.12 2.16 2wk7A1 VAL 344 HG13 0.02 -0.01 -0.40 -0.04 0.97 0.53 2wk7A1 VAL 344 HG23 -0.00 0.07 -0.01 -0.04 0.95 0.96 2wk7A1 PHE 345 H 0.24 0.97 0.51 -0.55 8.34 9.51 2wk7A1 PHE 345 HA 0.05 0.11 0.98 -0.75 4.62 5.00 2wk7A1 PHE 345 HB2 0.00 0.08 0.22 -0.04 3.15 3.41 2wk7A1 PHE 345 HB3 0.00 -0.07 -0.02 -0.04 3.06 2.93 2wk7A1 PHE 345 HD2 0.04 0.06 -0.05 -0.04 7.28 7.30 2wk7A1 PHE 345 HE2 0.09 -0.04 -0.05 -0.04 7.38 7.35 2wk7A1 PHE 345 HZ 0.11 -0.04 -0.05 -0.04 7.32 7.29 2wk7A1 CYS 346 H 0.09 0.25 0.12 -0.55 8.50 8.42 2wk7A1 CYS 346 HA 0.07 0.15 0.64 -0.75 4.58 4.69 2wk7A1 CYS 346 HB2 0.04 -0.08 0.10 -0.04 2.97 2.99 2wk7A1 CYS 346 HB3 0.04 0.09 -0.22 -0.04 2.97 2.84 2wk7A1 ARG 347 H 0.06 0.13 -0.01 -0.55 8.46 8.09 2wk7A1 ARG 347 HA 0.07 0.23 0.35 -0.75 4.34 4.24 2wk7A1 ARG 347 HB2 0.08 0.04 0.11 -0.04 1.90 2.08 2wk7A1 ARG 347 HB3 0.05 -0.07 0.09 -0.04 1.80 1.83 2wk7A1 ARG 347 HG2 0.22 -0.02 -0.09 -0.04 1.67 1.74 2wk7A1 ARG 347 HG3 0.24 0.04 -0.13 -0.04 1.67 1.77 2wk7A1 ARG 347 HD2 -0.01 -0.05 0.07 -0.04 3.22 3.18 2wk7A1 ARG 347 HD3 0.03 0.05 0.02 -0.04 3.22 3.28 2wk7A1 PRO 348 HA 0.06 0.07 0.33 -0.51 4.44 4.39 2wk7A1 PRO 348 HB2 0.05 0.01 -0.04 -0.04 2.28 2.25 2wk7A1 PRO 348 HB3 0.05 0.04 0.08 -0.04 2.02 2.15 2wk7A1 PRO 348 HG2 0.06 0.01 0.06 -0.04 2.03 2.12 2wk7A1 PRO 348 HG3 0.09 0.05 0.02 -0.04 2.03 2.14 2wk7A1 PRO 348 HD2 0.08 0.01 0.22 -0.04 3.68 3.95 2wk7A1 PRO 348 HD3 0.13 0.24 0.64 -0.04 3.65 4.62 2wk7A1 ALA 349 H 0.09 0.39 0.03 -0.55 8.40 8.37 2wk7A1 ALA 349 HA 0.07 -0.03 0.43 -0.75 4.34 4.06 2wk7A1 ALA 349 HB3 0.22 0.02 0.06 -0.04 1.41 1.67 2wk7A1 THR 350 H 0.07 0.14 -0.67 -0.55 8.28 7.27 2wk7A1 THR 350 HA -0.02 0.20 0.72 -0.75 4.39 4.54 2wk7A1 THR 350 HB -0.03 0.15 -0.08 -0.04 4.32 4.33 2wk7A1 THR 350 HG23 0.05 -0.01 -0.34 -0.04 1.22 0.88 2wk7A1 SER 351 H -0.01 0.16 0.03 -0.55 8.46 8.09 2wk7A1 SER 351 HA -0.00 0.16 0.60 -0.75 4.49 4.49 2wk7A1 SER 351 HB2 -0.01 0.07 0.10 -0.04 3.95 4.07 2wk7A1 SER 351 HB3 -0.01 0.09 0.10 -0.04 3.93 4.07 2wk7A1 LYS 352 H -0.00 0.21 0.15 -0.55 8.42 8.22 2wk7A1 LYS 352 HA -0.01 0.03 0.27 -0.75 4.32 3.86 2wk7A1 LYS 352 HB2 -0.02 0.05 0.16 -0.04 1.87 2.02 2wk7A1 LYS 352 HB3 -0.02 0.00 0.10 -0.04 1.79 1.83 2wk7A1 LYS 352 HG2 -0.05 -0.06 -0.03 -0.04 1.46 1.28 2wk7A1 LYS 352 HG3 -0.07 -0.00 0.14 -0.04 1.46 1.49 2wk7A1 LYS 352 HD2 -0.12 0.05 0.06 -0.04 1.69 1.63 2wk7A1 LYS 352 HD3 -0.08 0.03 0.06 -0.04 1.68 1.65 2wk7A1 LYS 352 HE2 -0.05 -0.04 0.01 -0.04 2.99 2.86 2wk7A1 LYS 352 HE3 -0.07 0.06 0.03 -0.04 2.99 2.97 2wk7A1 ASN 353 H -0.01 -0.01 -0.47 -0.55 8.53 7.49 2wk7A1 ASN 353 HA -0.00 0.09 0.56 -0.75 4.76 4.65 2wk7A1 ASN 353 HB2 -0.00 -0.02 -0.01 -0.04 2.88 2.80 2wk7A1 ASN 353 HB3 0.01 0.04 -0.01 -0.04 2.79 2.79 2wk7A1 ASN 353 HD21 -0.01 0.04 -0.01 -0.04 7.03 7.01 2wk7A1 ASN 353 HD22 -0.01 0.03 -0.01 -0.04 7.74 7.70 2wk7A1 LYS 354 H -0.01 0.25 -0.37 -0.55 8.42 7.73 2wk7A1 LYS 354 HA 0.01 0.20 0.93 -0.75 4.32 4.70 2wk7A1 LYS 354 HB2 -0.02 -0.12 0.12 -0.04 1.87 1.81 2wk7A1 LYS 354 HB3 -0.03 0.02 0.13 -0.04 1.79 1.87 2wk7A1 LYS 354 HG2 0.01 0.10 -0.14 -0.04 1.46 1.38 2wk7A1 LYS 354 HG3 -0.00 -0.12 -0.26 -0.04 1.46 1.04 2wk7A1 LYS 354 HD2 0.01 -0.05 -0.02 -0.04 1.69 1.59 2wk7A1 LYS 354 HD3 0.01 0.01 -0.01 -0.04 1.68 1.65 2wk7A1 LYS 354 HE2 0.01 0.04 -0.05 -0.04 2.99 2.95 2wk7A1 LYS 354 HE3 -0.01 -0.01 -0.05 -0.04 2.99 2.88 2wk7A1 ASN 355 H -0.01 0.56 -0.26 -0.55 8.53 8.27 2wk7A1 ASN 355 HA 0.02 0.02 0.51 -0.75 4.76 4.55 2wk7A1 ASN 355 HB2 -0.03 0.12 -0.13 -0.04 2.88 2.80 2wk7A1 ASN 355 HB3 0.00 0.07 0.02 -0.04 2.79 2.85 2wk7A1 ASN 355 HD21 0.00 -0.17 -0.02 -0.04 7.03 6.80 2wk7A1 ASN 355 HD22 0.03 0.02 0.07 -0.04 7.74 7.81 2wk7A1 ILE 356 H 0.08 0.56 0.33 -0.55 8.25 8.67 2wk7A1 ILE 356 HA 0.02 0.24 1.06 -0.75 4.18 4.75 2wk7A1 ILE 356 HB -0.00 -0.10 0.05 -0.04 1.89 1.79 2wk7A1 ILE 356 HG12 -0.06 -0.00 -0.19 -0.04 1.49 1.19 2wk7A1 ILE 356 HG13 -0.05 0.09 -0.71 -0.04 1.21 0.49 2wk7A1 ILE 356 HG23 -0.03 0.04 -0.26 -0.04 0.93 0.64 2wk7A1 ILE 356 HD13 -0.20 -0.03 -0.18 -0.04 0.88 0.43 2wk7A1 ILE 357 H 0.05 0.66 0.28 -0.55 8.25 8.69 2wk7A1 ILE 357 HA 0.11 0.16 0.95 -0.75 4.18 4.64 2wk7A1 ILE 357 HB 0.05 0.02 0.15 -0.04 1.89 2.07 2wk7A1 ILE 357 HG12 0.00 -0.01 -0.09 -0.04 1.49 1.35 2wk7A1 ILE 357 HG13 -0.02 -0.03 -0.17 -0.04 1.21 0.95 2wk7A1 ILE 357 HG23 0.04 -0.01 -0.15 -0.04 0.93 0.76 2wk7A1 ILE 357 HD13 -0.08 0.04 -0.11 -0.04 0.88 0.69 2wk7A1 ARG 358 H 0.23 0.79 0.29 -0.55 8.46 9.22 2wk7A1 ARG 358 HA 0.06 0.23 0.81 -0.75 4.34 4.69 2wk7A1 ARG 358 HB2 0.06 -0.05 0.05 -0.04 1.90 1.92 2wk7A1 ARG 358 HB3 0.33 -0.02 0.13 -0.04 1.80 2.20 2wk7A1 ARG 358 HG2 0.08 -0.02 -0.33 -0.04 1.67 1.35 2wk7A1 ARG 358 HG3 -0.05 0.07 -0.17 -0.04 1.67 1.47 2wk7A1 ARG 358 HD2 -0.06 -0.04 -0.08 -0.04 3.22 2.99 2wk7A1 ARG 358 HD3 -0.38 -0.01 0.07 -0.04 3.22 2.86 2wk7A1 LEU 359 H 0.06 0.63 0.33 -0.55 8.37 8.84 2wk7A1 LEU 359 HA 0.10 0.20 0.96 -0.75 4.35 4.86 2wk7A1 LEU 359 HB2 0.05 0.01 0.20 -0.04 1.64 1.86 2wk7A1 LEU 359 HB3 0.06 -0.01 -0.03 -0.04 1.64 1.62 2wk7A1 LEU 359 HG 0.07 0.01 -0.10 -0.04 1.64 1.58 2wk7A1 LEU 359 HD13 0.07 0.05 -0.35 -0.04 0.93 0.66 2wk7A1 LEU 359 HD23 0.04 0.01 -0.09 -0.04 0.89 0.81 2wk7A1 SER 360 H 0.13 0.41 0.01 -0.55 8.46 8.47 2wk7A1 SER 360 HA 0.15 0.17 0.89 -0.75 4.49 4.94 2wk7A1 SER 360 HB2 0.19 0.00 -0.15 -0.04 3.95 3.95 2wk7A1 SER 360 HB3 0.36 -0.03 -0.08 -0.04 3.93 4.14 2wk7A1 LEU 361 H 0.10 0.62 0.29 -0.55 8.37 8.84 2wk7A1 LEU 361 HA 0.10 0.07 0.52 -0.75 4.35 4.29 2wk7A1 LEU 361 HB2 0.04 -0.04 0.11 -0.04 1.64 1.71 2wk7A1 LEU 361 HB3 0.04 -0.01 0.05 -0.04 1.64 1.68 2wk7A1 LEU 361 HG 0.04 0.15 0.00 -0.04 1.64 1.79 2wk7A1 LEU 361 HD13 0.00 -0.02 -0.11 -0.04 0.93 0.77 2wk7A1 LEU 361 HD23 0.05 -0.01 -0.18 -0.04 0.89 0.71 2wk7A1 ASN 362 H 0.10 0.18 0.24 -0.55 8.53 8.51 2wk7A1 ASN 362 HA 0.19 0.28 0.71 -0.75 4.76 5.18 2wk7A1 ASN 362 HB2 0.13 -0.01 0.12 -0.04 2.88 3.08 2wk7A1 ASN 362 HB3 0.16 0.05 -0.21 -0.04 2.79 2.74 2wk7A1 ASN 362 HD21 0.07 0.07 0.01 -0.04 7.03 7.15 2wk7A1 ASN 362 HD22 0.09 0.04 -0.10 -0.04 7.74 7.74 2wk7A1 SER 363 H 0.13 0.65 0.33 -0.55 8.46 9.03 2wk7A1 SER 363 HA 0.20 0.06 0.36 -0.75 4.49 4.36 2wk7A1 SER 363 HB2 0.14 -0.03 0.21 -0.04 3.95 4.23 2wk7A1 SER 363 HB3 0.12 0.07 0.26 -0.04 3.93 4.34 2wk7A1 ASP 364 H 0.10 0.02 -0.53 -0.55 8.40 7.45 2wk7A1 ASP 364 HA 0.07 0.17 0.66 -0.75 4.63 4.78 2wk7A1 ASP 364 HB2 0.06 -0.02 -0.01 -0.04 2.71 2.70 2wk7A1 ASP 364 HB3 0.05 0.01 0.11 -0.04 2.70 2.83 2wk7A1 VAL 365 H 0.12 0.50 -0.10 -0.55 8.24 8.22 2wk7A1 VAL 365 HA 0.08 0.05 0.63 -0.75 4.13 4.15 2wk7A1 VAL 365 HB 0.05 0.05 0.11 -0.04 2.12 2.29 2wk7A1 VAL 365 HG13 0.05 -0.00 -0.07 -0.04 0.97 0.91 2wk7A1 VAL 365 HG23 0.08 0.01 0.10 -0.04 0.95 1.09 2wk7A1 ASN 366 H 0.08 0.12 0.21 -0.55 8.53 8.39 2wk7A1 ASN 366 HA 0.19 0.29 0.94 -0.75 4.76 5.42 2wk7A1 ASN 366 HB2 0.07 -0.07 0.11 -0.04 2.88 2.95 2wk7A1 ASN 366 HB3 0.08 0.18 -0.03 -0.04 2.79 2.97 2wk7A1 ASN 366 HD21 0.04 0.05 0.04 -0.04 7.03 7.11 2wk7A1 ASN 366 HD22 0.04 0.09 0.03 -0.04 7.74 7.85 2wk7A1 ASP 367 H 0.10 0.24 0.15 -0.55 8.40 8.34 2wk7A1 ASP 367 HA 0.03 0.08 0.33 -0.75 4.63 4.32 2wk7A1 ASP 367 HB2 0.05 -0.02 0.17 -0.04 2.71 2.87 2wk7A1 ASP 367 HB3 0.03 0.06 -0.02 -0.04 2.70 2.74 2wk7A1 GLU 368 H 0.04 0.09 -0.20 -0.55 8.60 7.98 2wk7A1 GLU 368 HA 0.03 0.07 0.35 -0.75 4.29 3.98 2wk7A1 GLU 368 HB2 0.03 0.01 0.09 -0.04 2.09 2.18 2wk7A1 GLU 368 HB3 0.03 -0.02 0.05 -0.04 1.99 2.01 2wk7A1 GLU 368 HG2 0.03 0.03 -0.23 -0.04 2.34 2.13 2wk7A1 GLU 368 HG3 0.02 0.01 0.03 -0.04 2.34 2.36 2wk7A1 GLN 369 H 0.04 0.26 -0.23 -0.55 8.47 8.00 2wk7A1 GLN 369 HA 0.04 0.07 0.40 -0.75 4.36 4.11 2wk7A1 GLN 369 HB2 0.05 0.04 0.20 -0.04 2.15 2.39 2wk7A1 GLN 369 HB3 0.05 0.03 0.01 -0.04 2.02 2.07 2wk7A1 GLN 369 HG2 0.04 0.09 0.05 -0.04 2.40 2.54 2wk7A1 GLN 369 HG3 0.04 -0.09 0.05 -0.04 2.39 2.35 2wk7A1 GLN 369 HE21 0.04 0.04 0.06 -0.04 6.97 7.07 2wk7A1 GLN 369 HE22 0.04 0.09 0.03 -0.04 7.69 7.82 2wk7A1 ILE 370 H 0.03 0.35 -0.08 -0.55 8.25 8.00 2wk7A1 ILE 370 HA 0.03 0.04 0.41 -0.75 4.18 3.90 2wk7A1 ILE 370 HB 0.02 0.04 0.11 -0.04 1.89 2.02 2wk7A1 ILE 370 HG12 0.02 0.07 -0.08 -0.04 1.49 1.45 2wk7A1 ILE 370 HG13 0.00 -0.04 -0.05 -0.04 1.21 1.08 2wk7A1 ILE 370 HG23 0.01 -0.01 -0.14 -0.04 0.93 0.75 2wk7A1 ILE 370 HD13 -0.00 0.03 -0.08 -0.04 0.88 0.78 2wk7A1 ALA 371 H 0.03 0.47 -0.11 -0.55 8.40 8.24 2wk7A1 ALA 371 HA 0.02 -0.01 0.30 -0.75 4.34 3.90 2wk7A1 ALA 371 HB3 0.02 0.05 0.08 -0.04 1.41 1.53 2wk7A1 LYS 372 H 0.03 0.39 -0.26 -0.55 8.42 8.03 2wk7A1 LYS 372 HA 0.04 -0.02 0.43 -0.75 4.32 4.01 2wk7A1 LYS 372 HB2 0.03 -0.01 0.13 -0.04 1.87 1.98 2wk7A1 LYS 372 HB3 0.04 0.15 0.18 -0.04 1.79 2.13 2wk7A1 LYS 372 HG2 0.04 0.01 -0.01 -0.04 1.46 1.46 2wk7A1 LYS 372 HG3 0.04 -0.01 -0.15 -0.04 1.46 1.30 2wk7A1 LYS 372 HD2 0.03 -0.03 0.06 -0.04 1.69 1.71 2wk7A1 LYS 372 HD3 0.03 -0.01 0.02 -0.04 1.68 1.69 2wk7A1 LYS 372 HE2 0.03 0.01 0.01 -0.04 2.99 3.00 2wk7A1 LYS 372 HE3 0.03 -0.02 0.00 -0.04 2.99 2.96 2wk7A1 ILE 373 H 0.04 0.62 -0.02 -0.55 8.25 8.34 2wk7A1 ILE 373 HA 0.05 -0.01 0.37 -0.75 4.18 3.85 2wk7A1 ILE 373 HB 0.03 0.12 0.23 -0.04 1.89 2.24 2wk7A1 ILE 373 HG12 0.06 -0.02 -0.02 -0.04 1.49 1.46 2wk7A1 ILE 373 HG13 0.05 0.14 0.06 -0.04 1.21 1.42 2wk7A1 ILE 373 HG23 0.04 -0.02 -0.17 -0.04 0.93 0.73 2wk7A1 ILE 373 HD13 0.05 -0.05 -0.11 -0.04 0.88 0.73 2wk7A1 ILE 374 H 0.03 0.61 -0.07 -0.55 8.25 8.27 2wk7A1 ILE 374 HA 0.02 0.02 0.37 -0.75 4.18 3.84 2wk7A1 ILE 374 HB 0.02 0.06 0.08 -0.04 1.89 2.01 2wk7A1 ILE 374 HG12 0.01 0.00 -0.06 -0.04 1.49 1.40 2wk7A1 ILE 374 HG13 0.02 0.06 -0.06 -0.04 1.21 1.19 2wk7A1 ILE 374 HG23 0.01 -0.00 -0.13 -0.04 0.93 0.76 2wk7A1 ILE 374 HD13 0.01 -0.02 -0.14 -0.04 0.88 0.69 2wk7A1 GLU 375 H 0.04 0.86 -0.04 -0.55 8.60 8.91 2wk7A1 GLU 375 HA 0.05 -0.03 0.42 -0.75 4.29 3.97 2wk7A1 GLU 375 HB2 0.04 -0.06 0.10 -0.04 2.09 2.12 2wk7A1 GLU 375 HB3 0.04 0.12 0.24 -0.04 1.99 2.35 2wk7A1 GLU 375 HG2 0.06 0.05 -0.33 -0.04 2.34 2.08 2wk7A1 GLU 375 HG3 0.05 -0.06 -0.03 -0.04 2.34 2.26 2wk7A1 VAL 376 H 0.07 0.72 -0.11 -0.55 8.24 8.37 2wk7A1 VAL 376 HA 0.14 -0.01 0.43 -0.75 4.13 3.95 2wk7A1 VAL 376 HB 0.08 0.10 0.10 -0.04 2.12 2.37 2wk7A1 VAL 376 HG13 0.11 -0.01 -0.06 -0.04 0.97 0.98 2wk7A1 VAL 376 HG23 0.05 0.07 0.02 -0.04 0.95 1.05 2wk7A1 CYS 377 H 0.08 0.52 -0.14 -0.55 8.50 8.41 2wk7A1 CYS 377 HA 0.14 0.07 0.60 -0.75 4.58 4.64 2wk7A1 CYS 377 HB2 0.01 0.07 0.09 -0.04 2.97 3.10 2wk7A1 CYS 377 HB3 -0.06 -0.04 0.01 -0.04 2.97 2.85 2wk7A1 SER 378 H 0.06 0.73 -0.01 -0.55 8.46 8.69 2wk7A1 SER 378 HA 0.02 0.05 0.53 -0.75 4.49 4.33 2wk7A1 SER 378 HB2 0.03 0.05 0.12 -0.04 3.95 4.10 2wk7A1 SER 378 HB3 0.05 0.07 0.21 -0.04 3.93 4.22 2wk7A1 ASP 379 H 0.13 0.64 -0.05 -0.55 8.40 8.56 2wk7A1 ASP 379 HA 0.16 0.00 0.39 -0.75 4.63 4.43 2wk7A1 ASP 379 HB2 0.29 0.12 0.11 -0.04 2.71 3.18 2wk7A1 ASP 379 HB3 0.37 -0.07 0.03 -0.04 2.70 2.98 2wk7A1 ALA 380 H 0.20 0.23 -0.62 -0.55 8.40 7.66 2wk7A1 ALA 380 HA -0.39 -0.09 0.41 -0.75 4.34 3.52 2wk7A1 ALA 380 HB3 0.28 0.04 0.14 -0.04 1.41 1.82 2wk7A1 VAL 381 H 0.05 0.44 -0.28 -0.55 8.24 7.89 2wk7A1 VAL 381 HA 0.13 -0.06 0.17 -0.75 4.13 3.61 2wk7A1 VAL 381 HB 0.01 0.08 0.26 -0.04 2.12 2.43 2wk7A1 VAL 381 HG13 0.02 -0.02 -0.03 -0.04 0.97 0.90 2wk7A1 VAL 381 HG23 -0.08 0.07 0.10 -0.04 0.95 1.00 2wk7A1 ASN 382 H -0.08 0.12 0.00 -0.55 8.53 8.03 2wk7A1 ASN 382 HA 0.00 -0.02 0.31 -0.75 4.76 4.30 2wk7A1 ASN 382 HB2 0.02 -0.05 0.24 -0.04 2.88 3.04 2wk7A1 ASN 382 HB3 0.04 0.02 -0.13 -0.04 2.79 2.68 2wk7A1 ASN 382 HD21 0.02 -0.08 0.01 -0.04 7.03 6.95 2wk7A1 ASN 382 HD22 0.01 -0.02 0.08 -0.04 7.74 7.78 2wk7A1 TYR 383 H 0.01 0.47 -0.06 -0.55 8.29 8.16 2wk7A1 TYR 383 HA -0.07 0.11 0.91 -0.75 4.56 4.76 2wk7A1 TYR 383 HB2 -0.01 -0.09 0.10 -0.04 3.06 3.03 2wk7A1 TYR 383 HB3 0.00 0.27 0.21 -0.04 2.98 3.42 2wk7A1 TYR 383 HD2 0.09 0.02 -0.04 -0.04 7.15 7.18 2wk7A1 TYR 383 HE2 0.20 -0.03 -0.06 -0.04 6.85 6.92 2wk7A1 GLY 384 H -0.58 0.23 0.04 -0.55 8.43 7.57 2wk7A1 GLY 384 HA2 -1.03 -0.08 0.28 -0.51 4.01 2.67 2wk7A1 GLY 384 HA3 -1.61 0.10 0.30 -0.51 4.01 2.30 2wk7A1 ASP 385 H -0.47 0.07 0.10 -0.55 8.40 7.55 2wk7A1 ASP 385 HA -0.27 0.15 0.60 -0.75 4.63 4.36 2wk7A1 ASP 385 HB2 -0.12 0.04 0.12 -0.04 2.71 2.71 2wk7A1 ASP 385 HB3 -0.07 -0.04 0.22 -0.04 2.70 2.76 2wk7A1 PHE 386 H -0.60 0.75 0.02 -0.55 8.34 7.96 2wk7A1 PHE 386 HA -0.12 -0.05 0.50 -0.75 4.62 4.20 2wk7A1 PHE 386 HB2 -0.41 0.01 0.07 -0.04 3.15 2.78 2wk7A1 PHE 386 HB3 -0.22 0.06 -0.01 -0.04 3.06 2.84 2wk7A1 PHE 386 HD2 -0.38 0.07 -0.43 -0.04 7.28 6.50 2wk7A1 PHE 386 HE2 -0.23 0.00 -0.10 -0.04 7.38 7.01 2wk7A1 PHE 386 HZ -1.10 -0.03 0.01 -0.04 7.32 6.16 2wk7A1 TYR 387 H -0.28 0.03 0.15 -0.55 8.29 7.64 2wk7A1 TYR 387 HA -0.00 0.33 0.92 -0.75 4.56 5.05 2wk7A1 TYR 387 HB2 0.00 0.04 0.18 -0.04 3.06 3.24 2wk7A1 TYR 387 HB3 -0.03 -0.02 -0.02 -0.04 2.98 2.87 2wk7A1 TYR 387 HD2 -0.02 0.13 -0.15 -0.04 7.15 7.06 2wk7A1 TYR 387 HE2 -0.04 -0.07 -0.09 -0.04 6.85 6.62 2wk7A1 PHE 388 H 0.37 0.20 0.22 -0.55 8.34 8.57 2wk7A1 PHE 388 HA 0.06 0.21 0.76 -0.75 4.62 4.89 2wk7A1 PHE 388 HB2 0.08 -0.01 0.04 -0.04 3.15 3.22 2wk7A1 PHE 388 HB3 0.05 -0.02 0.23 -0.04 3.06 3.29 2wk7A1 PHE 388 HD2 0.04 0.03 -0.09 -0.04 7.28 7.23 2wk7A1 PHE 388 HE2 0.09 0.05 -0.15 -0.04 7.38 7.33 2wk7A1 PHE 388 HZ 0.04 -0.03 -0.09 -0.04 7.32 7.20 2wk7A1 ARG 389 H 0.28 0.47 0.21 -0.55 8.46 8.86 2wk7A1 ARG 389 HA 0.14 0.24 0.73 -0.75 4.34 4.69 2wk7A1 ARG 389 HB2 0.11 -0.03 0.06 -0.04 1.90 1.99 2wk7A1 ARG 389 HB3 0.08 0.00 0.08 -0.04 1.80 1.91 2wk7A1 ARG 389 HG2 0.14 0.08 -0.10 -0.04 1.67 1.75 2wk7A1 ARG 389 HG3 0.22 -0.01 -0.40 -0.04 1.67 1.44 2wk7A1 ARG 389 HD2 0.11 0.03 -0.01 -0.04 3.22 3.30 2wk7A1 ARG 389 HD3 0.08 -0.13 -0.03 -0.04 3.22 3.10