============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 64 rings ring int. center anis. iso. PHE 18 1.000 47.485 16.932 29.581 -99.200 -91.000 PHE 45 1.000 47.687 23.706 47.805 -99.200 -91.000 HIS 46 0.900 49.768 28.233 47.694 -99.200 -91.000 TYR 58 0.840 48.109 13.345 55.286 -99.200 -91.000 TYR 60 0.840 43.182 21.113 48.484 -99.200 -91.000 PHE 71 1.000 52.371 16.070 46.830 -99.200 -91.000 TYR 72 0.840 56.620 15.692 44.545 -99.200 -91.000 TYR 86 0.840 59.209 14.973 58.013 -99.200 -91.000 TYR 97 0.840 47.852 5.886 55.518 -99.200 -91.000 HIS 99 0.900 39.121 6.005 61.576 -99.200 -91.000 PHE 101 1.000 42.340 3.199 50.982 -99.200 -91.000 PHE 108 1.000 49.756 -0.848 51.222 -99.200 -91.000 HIS 116 0.900 53.359 -17.515 46.569 -99.200 -91.000 TRP 124 1.040 56.060 0.517 41.889 -99.200 -91.000 TRP6 124 1.020 54.390 1.264 43.391 -99.200 -91.000 HIS 128 0.900 66.369 3.358 35.980 -99.200 -91.000 TYR 149 0.840 44.995 2.475 60.624 -99.200 -91.000 TYR 160 0.840 64.333 9.448 49.557 -99.200 -91.000 PHE 190 1.000 35.825 2.512 59.343 -99.200 -91.000 TYR 191 0.840 45.472 -2.921 60.980 -99.200 -91.000 TYR 194 0.840 41.282 -6.762 61.189 -99.200 -91.000 TYR 203 0.840 60.237 -8.824 61.126 -99.200 -91.000 PHE 210 1.000 61.588 -4.744 50.804 -99.200 -91.000 TYR 217 0.840 62.148 -1.851 40.594 -99.200 -91.000 PHE 225 1.000 65.872 -2.020 56.211 -99.200 -91.000 PHE 228 1.000 61.830 -2.098 59.243 -99.200 -91.000 HIS 231 0.900 66.419 -7.949 68.066 -99.200 -91.000 PHE 234 1.000 70.748 -0.007 67.127 -99.200 -91.000 PHE 236 1.000 65.561 -7.002 59.906 -99.200 -91.000 TYR 240 0.840 69.205 -7.521 55.080 -99.200 -91.000 TYR 244 0.840 70.606 -6.860 49.817 -99.200 -91.000 PHE 247 1.000 69.787 5.958 54.549 -99.200 -91.000 HIS 276 0.900 79.451 20.559 74.318 -99.200 -91.000 PHE 280 1.000 73.056 10.868 73.407 -99.200 -91.000 TRP 311 1.040 78.235 9.901 81.916 -99.200 -91.000 TRP6 311 1.020 78.165 8.435 83.766 -99.200 -91.000 PHE 312 1.000 67.491 8.458 83.978 -99.200 -91.000 TYR 315 0.840 63.904 -0.933 82.034 -99.200 -91.000 TYR 329 0.840 74.116 -2.479 68.082 -99.200 -91.000 PHE 333 1.000 78.428 5.506 73.303 -99.200 -91.000 HIS 335 0.900 81.220 5.884 80.216 -99.200 -91.000 PHE 345 1.000 67.541 13.548 81.741 -99.200 -91.000 PHE 367 1.000 65.577 16.786 77.723 -99.200 -91.000 PHE 384 1.000 70.721 19.760 70.051 -99.200 -91.000 TYR 401 0.840 64.984 29.351 72.605 -99.200 -91.000 PHE 410 1.000 64.116 23.454 72.099 -99.200 -91.000 PHE 416 1.000 58.101 22.926 69.973 -99.200 -91.000 PHE 427 1.000 66.653 34.065 72.679 -99.200 -91.000 TYR 436 0.840 67.299 21.210 58.345 -99.200 -91.000 PHE 438 1.000 64.577 11.986 54.764 -99.200 -91.000 HIS 452 0.900 78.211 -2.629 49.604 -99.200 -91.000 PHE 458 1.000 74.309 8.141 57.096 -99.200 -91.000 TYR 480 0.840 70.006 21.494 63.213 -99.200 -91.000 TYR 500 0.840 83.407 10.917 52.571 -99.200 -91.000 TYR 502 0.840 82.500 10.066 41.325 -99.200 -91.000 PHE 507 1.000 82.014 1.264 42.841 -99.200 -91.000 TYR 509 0.840 81.287 3.879 32.512 -99.200 -91.000 TYR 518 0.840 77.012 13.618 38.220 -99.200 -91.000 TRP 524 1.040 60.763 15.243 38.293 -99.200 -91.000 TRP6 524 1.020 59.150 16.197 39.733 -99.200 -91.000 TYR 528 0.840 52.106 21.221 34.532 -99.200 -91.000 TYR 536 0.840 62.118 15.135 12.449 -99.200 -91.000 TRP 538 1.040 62.585 13.050 7.016 -99.200 -91.000 TRP6 538 1.020 62.192 10.932 6.043 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1pj2B1 ILE 1021 HA 0.03 -0.11 0.20 -0.75 4.18 3.54 1pj2B1 ILE 1021 HB 0.05 -0.01 0.04 -0.04 1.89 1.93 1pj2B1 ILE 1021 HG12 0.03 0.09 -0.05 -0.04 1.49 1.53 1pj2B1 ILE 1021 HG13 0.02 -0.06 -0.13 -0.04 1.21 0.99 1pj2B1 ILE 1021 HG23 0.04 0.01 -0.04 -0.04 0.93 0.91 1pj2B1 ILE 1021 HD13 0.02 -0.03 0.04 -0.04 0.88 0.87 1pj2B1 LYS 1022 H 0.01 0.01 0.12 -0.55 8.42 8.01 1pj2B1 LYS 1022 HA 0.01 0.22 0.85 -0.75 4.32 4.64 1pj2B1 LYS 1022 HB2 0.00 -0.03 0.07 -0.04 1.87 1.87 1pj2B1 LYS 1022 HB3 0.00 -0.03 0.06 -0.04 1.79 1.78 1pj2B1 LYS 1022 HG2 0.01 0.05 -0.07 -0.04 1.46 1.42 1pj2B1 LYS 1022 HG3 0.01 -0.00 -0.05 -0.04 1.46 1.38 1pj2B1 LYS 1022 HD2 0.00 -0.00 0.00 -0.04 1.69 1.65 1pj2B1 LYS 1022 HD3 0.01 -0.03 0.00 -0.04 1.68 1.61 1pj2B1 LYS 1022 HE2 0.01 0.02 -0.01 -0.04 2.99 2.97 1pj2B1 LYS 1022 HE3 0.01 -0.02 -0.01 -0.04 2.99 2.93 1pj2B1 GLU 1023 H 0.00 -0.03 0.04 -0.55 8.60 8.08 1pj2B1 GLU 1023 HA -0.01 0.17 0.78 -0.75 4.29 4.48 1pj2B1 GLU 1023 HB2 -0.00 0.00 -0.04 -0.04 2.09 2.01 1pj2B1 GLU 1023 HB3 -0.01 0.05 0.06 -0.04 1.99 2.05 1pj2B1 GLU 1023 HG2 -0.01 0.01 -0.08 -0.04 2.34 2.22 1pj2B1 GLU 1023 HG3 -0.01 -0.04 -0.02 -0.04 2.34 2.23 1pj2B1 LYS 1024 H -0.02 0.22 0.23 -0.55 8.42 8.30 1pj2B1 LYS 1024 HA -0.04 0.15 0.71 -0.75 4.32 4.38 1pj2B1 LYS 1024 HB2 -0.05 0.25 0.20 -0.04 1.87 2.22 1pj2B1 LYS 1024 HB3 -0.03 0.04 -0.11 -0.04 1.79 1.66 1pj2B1 LYS 1024 HG2 -0.03 -0.10 0.03 -0.04 1.46 1.32 1pj2B1 LYS 1024 HG3 -0.04 -0.00 -0.16 -0.04 1.46 1.22 1pj2B1 LYS 1024 HD2 -0.03 0.02 -0.05 -0.04 1.69 1.60 1pj2B1 LYS 1024 HD3 -0.03 -0.09 -0.03 -0.04 1.68 1.49 1pj2B1 LYS 1024 HE2 -0.04 -0.03 -0.15 -0.04 2.99 2.73 1pj2B1 LYS 1024 HE3 -0.04 0.08 -0.12 -0.04 2.99 2.86 1pj2B1 GLY 1025 H -0.09 0.37 0.19 -0.55 8.43 8.34 1pj2B1 GLY 1025 HA2 -0.08 0.21 0.31 -0.51 4.01 3.94 1pj2B1 GLY 1025 HA3 -0.05 0.05 0.75 -0.51 4.01 4.25 1pj2B1 LYS 1026 H -0.05 0.11 0.18 -0.55 8.42 8.11 1pj2B1 LYS 1026 HA -0.05 0.04 0.33 -0.75 4.32 3.89 1pj2B1 LYS 1026 HB2 -0.03 -0.03 0.19 -0.04 1.87 1.95 1pj2B1 LYS 1026 HB3 -0.03 0.01 0.10 -0.04 1.79 1.83 1pj2B1 LYS 1026 HG2 -0.02 -0.05 0.02 -0.04 1.46 1.37 1pj2B1 LYS 1026 HG3 -0.02 0.07 -0.08 -0.04 1.46 1.39 1pj2B1 LYS 1026 HD2 -0.02 0.04 0.08 -0.04 1.69 1.75 1pj2B1 LYS 1026 HD3 -0.02 -0.03 0.07 -0.04 1.68 1.65 1pj2B1 LYS 1026 HE2 -0.01 0.05 0.03 -0.04 2.99 3.02 1pj2B1 LYS 1026 HE3 -0.01 0.01 0.04 -0.04 2.99 2.99 1pj2B1 PRO 1027 HA -0.01 0.05 0.39 -0.51 4.44 4.36 1pj2B1 PRO 1027 HB2 -0.02 0.01 -0.13 -0.04 2.28 2.11 1pj2B1 PRO 1027 HB3 -0.02 -0.01 0.02 -0.04 2.02 1.97 1pj2B1 PRO 1027 HG2 -0.02 0.02 0.02 -0.04 2.03 2.01 1pj2B1 PRO 1027 HG3 -0.02 -0.00 0.03 -0.04 2.03 1.99 1pj2B1 PRO 1027 HD2 -0.03 0.23 -0.34 -0.04 3.68 3.50 1pj2B1 PRO 1027 HD3 -0.03 -0.02 0.05 -0.04 3.65 3.62 1pj2B1 LEU 1028 H -0.03 0.62 -0.46 -0.55 8.37 7.95 1pj2B1 LEU 1028 HA 0.04 -0.02 0.19 -0.75 4.35 3.81 1pj2B1 LEU 1028 HB2 -0.10 0.17 -0.01 -0.04 1.64 1.67 1pj2B1 LEU 1028 HB3 0.07 -0.06 -0.01 -0.04 1.64 1.60 1pj2B1 LEU 1028 HG -0.03 -0.07 -0.27 -0.04 1.64 1.23 1pj2B1 LEU 1028 HD13 -0.09 -0.00 0.02 -0.04 0.93 0.82 1pj2B1 LEU 1028 HD23 0.06 0.02 -0.07 -0.04 0.89 0.86 1pj2B1 LEU 1030 HA 0.00 -0.08 0.27 -0.75 4.35 3.79 1pj2B1 LEU 1030 HB2 -0.01 -0.01 0.05 -0.04 1.64 1.63 1pj2B1 LEU 1030 HB3 -0.01 -0.06 0.05 -0.04 1.64 1.57 1pj2B1 LEU 1030 HG -0.01 0.15 -0.02 -0.04 1.64 1.72 1pj2B1 LEU 1030 HD13 -0.02 -0.04 -0.06 -0.04 0.93 0.78 1pj2B1 LEU 1030 HD23 -0.01 -0.01 0.05 -0.04 0.89 0.88 1pj2B1 ASN 1031 H 0.02 0.46 -0.68 -0.55 8.53 7.79 1pj2B1 ASN 1031 HA -0.02 0.17 0.86 -0.75 4.76 5.02 1pj2B1 ASN 1031 HB2 -0.01 0.04 0.05 -0.04 2.88 2.91 1pj2B1 ASN 1031 HB3 0.02 0.04 0.14 -0.04 2.79 2.95 1pj2B1 ASN 1031 HD21 -0.02 -0.02 -0.01 -0.04 7.03 6.95 1pj2B1 ASN 1031 HD22 -0.00 0.04 -0.01 -0.04 7.74 7.72 1pj2B1 PRO 1032 HA 0.02 0.33 0.21 -0.51 4.44 4.48 1pj2B1 PRO 1032 HB2 -0.02 -0.00 -0.16 -0.04 2.28 2.06 1pj2B1 PRO 1032 HB3 -0.03 0.05 -0.67 -0.04 2.02 1.32 1pj2B1 PRO 1032 HG2 -0.03 -0.09 0.07 -0.04 2.03 1.94 1pj2B1 PRO 1032 HG3 -0.06 0.09 0.07 -0.04 2.03 2.09 1pj2B1 PRO 1032 HD2 -0.04 0.02 0.30 -0.04 3.68 3.93 1pj2B1 PRO 1032 HD3 -0.03 0.38 0.20 -0.04 3.65 4.16 1pj2B1 ARG 1033 H 0.01 0.12 -0.28 -0.55 8.46 7.76 1pj2B1 ARG 1033 HA 0.08 -0.02 0.38 -0.75 4.34 4.02 1pj2B1 ARG 1033 HB2 0.00 -0.01 0.08 -0.04 1.90 1.94 1pj2B1 ARG 1033 HB3 0.03 0.05 -0.02 -0.04 1.80 1.82 1pj2B1 ARG 1033 HG2 0.02 0.01 -0.00 -0.04 1.67 1.66 1pj2B1 ARG 1033 HG3 0.07 0.02 0.05 -0.04 1.67 1.77 1pj2B1 ARG 1033 HD2 -0.02 -0.09 0.01 -0.04 3.22 3.08 1pj2B1 ARG 1033 HD3 0.01 -0.00 0.01 -0.04 3.22 3.19 1pj2B1 THR 1034 H 0.06 0.28 -0.22 -0.55 8.28 7.85 1pj2B1 THR 1034 HA 0.09 0.19 1.06 -0.75 4.39 4.98 1pj2B1 THR 1034 HB 0.14 -0.05 0.06 -0.04 4.32 4.43 1pj2B1 THR 1034 HG23 0.07 -0.04 -0.10 -0.04 1.22 1.11 1pj2B1 ASN 1035 H 0.07 0.44 0.16 -0.55 8.53 8.65 1pj2B1 ASN 1035 HA 0.20 -0.03 0.41 -0.75 4.76 4.59 1pj2B1 ASN 1035 HB2 0.08 0.17 0.11 -0.04 2.88 3.20 1pj2B1 ASN 1035 HB3 0.05 0.14 0.23 -0.04 2.79 3.16 1pj2B1 ASN 1035 HD21 0.05 -0.15 -0.10 -0.04 7.03 6.78 1pj2B1 ASN 1035 HD22 0.03 0.47 -0.06 -0.04 7.74 8.14 1pj2B1 LYS 1036 H -0.63 0.10 0.17 -0.55 8.42 7.51 1pj2B1 LYS 1036 HA -0.34 0.15 0.83 -0.75 4.32 4.20 1pj2B1 LYS 1036 HB2 -1.82 0.01 -0.18 -0.04 1.87 -0.16 1pj2B1 LYS 1036 HB3 -1.16 -0.10 -0.15 -0.04 1.79 0.34 1pj2B1 LYS 1036 HG2 -0.74 -0.01 -0.12 -0.04 1.46 0.55 1pj2B1 LYS 1036 HG3 -0.92 0.24 -0.06 -0.04 1.46 0.68 1pj2B1 LYS 1036 HD2 -0.89 -0.08 -0.19 -0.04 1.69 0.49 1pj2B1 LYS 1036 HD3 -0.99 -0.07 -0.14 -0.04 1.68 0.44 1pj2B1 LYS 1036 HE2 -0.18 0.02 0.03 -0.04 2.99 2.81 1pj2B1 LYS 1036 HE3 -0.17 0.03 0.02 -0.04 2.99 2.82 1pj2B1 GLY 1037 H -0.01 0.05 -0.06 -0.55 8.43 7.86 1pj2B1 GLY 1037 HA2 0.08 0.07 0.21 -0.51 4.01 3.86 1pj2B1 GLY 1037 HA3 0.01 0.08 0.21 -0.51 4.01 3.80 1pj2B1 ALA 1039 HA -0.08 0.11 0.29 -0.75 4.34 3.91 1pj2B1 ALA 1039 HB3 -0.42 -0.04 -0.05 -0.04 1.41 0.86 1pj2B1 PHE 1040 H -0.03 0.54 0.89 -0.55 8.34 9.18 1pj2B1 PHE 1040 HA -0.12 -0.04 0.53 -0.75 4.62 4.24 1pj2B1 PHE 1040 HB2 -0.06 0.08 0.15 -0.04 3.15 3.28 1pj2B1 PHE 1040 HB3 -0.05 -0.07 -0.06 -0.04 3.06 2.84 1pj2B1 PHE 1040 HD2 -0.07 0.09 0.03 -0.04 7.28 7.29 1pj2B1 PHE 1040 HE2 -0.04 0.01 0.01 -0.04 7.38 7.32 1pj2B1 PHE 1040 HZ -0.03 0.18 -0.07 -0.04 7.32 7.35 1pj2B1 THR 1041 H 0.07 0.07 0.22 -0.55 8.28 8.09 1pj2B1 THR 1041 HA 0.03 0.15 0.37 -0.75 4.39 4.19 1pj2B1 THR 1041 HB 0.02 -0.07 0.17 -0.04 4.32 4.40 1pj2B1 THR 1041 HG23 0.01 0.05 0.12 -0.04 1.22 1.36 1pj2B1 LEU 1042 H 0.02 0.15 0.17 -0.55 8.37 8.16 1pj2B1 LEU 1042 HA 0.01 0.18 0.38 -0.75 4.35 4.16 1pj2B1 LEU 1042 HB2 0.01 0.07 0.15 -0.04 1.64 1.82 1pj2B1 LEU 1042 HB3 0.01 -0.07 0.13 -0.04 1.64 1.67 1pj2B1 LEU 1042 HG -0.00 -0.02 -0.18 -0.04 1.64 1.40 1pj2B1 LEU 1042 HD13 -0.00 0.02 0.03 -0.04 0.93 0.94 1pj2B1 LEU 1042 HD23 0.00 -0.00 -0.01 -0.04 0.89 0.84 1pj2B1 GLN 1043 H 0.01 0.06 -0.11 -0.55 8.47 7.89 1pj2B1 GLN 1043 HA -0.00 0.09 0.43 -0.75 4.36 4.12 1pj2B1 GLN 1043 HB2 0.01 -0.04 0.09 -0.04 2.15 2.17 1pj2B1 GLN 1043 HB3 0.01 0.01 0.00 -0.04 2.02 2.00 1pj2B1 GLN 1043 HG2 0.00 0.08 -0.04 -0.04 2.40 2.40 1pj2B1 GLN 1043 HG3 -0.00 -0.01 0.08 -0.04 2.39 2.42 1pj2B1 GLN 1043 HE21 0.00 -0.00 0.00 -0.04 6.97 6.94 1pj2B1 GLN 1043 HE22 -0.00 0.01 0.01 -0.04 7.69 7.67 1pj2B1 GLU 1044 H 0.03 0.03 -0.43 -0.55 8.60 7.69 1pj2B1 GLU 1044 HA 0.01 0.13 0.46 -0.75 4.29 4.13 1pj2B1 GLU 1044 HB2 0.12 0.08 0.05 -0.04 2.09 2.30 1pj2B1 GLU 1044 HB3 0.12 0.11 -0.02 -0.04 1.99 2.15 1pj2B1 GLU 1044 HG2 0.06 0.02 -0.01 -0.04 2.34 2.37 1pj2B1 GLU 1044 HG3 0.05 -0.12 0.04 -0.04 2.34 2.27 1pj2B1 ARG 1045 H -0.01 0.42 -0.22 -0.55 8.46 8.09 1pj2B1 ARG 1045 HA -0.17 0.05 0.31 -0.75 4.34 3.78 1pj2B1 ARG 1045 HB2 -0.03 0.08 0.02 -0.04 1.90 1.92 1pj2B1 ARG 1045 HB3 -0.07 -0.16 -0.22 -0.04 1.80 1.30 1pj2B1 ARG 1045 HG2 -0.07 -0.03 -0.13 -0.04 1.67 1.40 1pj2B1 ARG 1045 HG3 0.02 0.38 -0.17 -0.04 1.67 1.87 1pj2B1 ARG 1045 HD2 0.00 -0.11 -0.13 -0.04 3.22 2.94 1pj2B1 ARG 1045 HD3 -0.01 -0.09 -0.18 -0.04 3.22 2.90 1pj2B1 GLN 1046 H -0.03 0.37 -0.25 -0.55 8.47 8.01 1pj2B1 GLN 1046 HA -0.04 -0.03 0.36 -0.75 4.36 3.90 1pj2B1 GLN 1046 HB2 -0.02 0.10 0.13 -0.04 2.15 2.32 1pj2B1 GLN 1046 HB3 -0.02 -0.05 0.11 -0.04 2.02 2.01 1pj2B1 GLN 1046 HG2 -0.02 -0.09 0.00 -0.04 2.40 2.26 1pj2B1 GLN 1046 HG3 -0.02 0.49 0.12 -0.04 2.39 2.94 1pj2B1 GLN 1046 HE21 -0.01 -0.05 -0.02 -0.04 6.97 6.86 1pj2B1 GLN 1046 HE22 -0.01 -0.00 -0.01 -0.04 7.69 7.62 1pj2B1 LEU 1048 HA -0.05 -0.04 0.31 -0.75 4.35 3.81 1pj2B1 LEU 1048 HB2 -0.16 -0.01 0.04 -0.04 1.64 1.47 1pj2B1 LEU 1048 HB3 -0.11 -0.11 0.17 -0.04 1.64 1.55 1pj2B1 LEU 1048 HG -0.04 0.14 0.20 -0.04 1.64 1.90 1pj2B1 LEU 1048 HD13 -0.02 -0.01 0.01 -0.04 0.93 0.86 1pj2B1 LEU 1048 HD23 -0.02 0.02 0.09 -0.04 0.89 0.94 1pj2B1 GLY 1049 H -0.07 0.41 -0.86 -0.55 8.43 7.36 1pj2B1 GLY 1049 HA2 -0.06 -0.00 0.35 -0.51 4.01 3.79 1pj2B1 GLY 1049 HA3 -0.06 0.03 0.65 -0.51 4.01 4.12 1pj2B1 LEU 1050 H -0.12 0.64 0.11 -0.55 8.37 8.45 1pj2B1 LEU 1050 HA -0.12 0.19 0.85 -0.75 4.35 4.53 1pj2B1 LEU 1050 HB2 -0.23 -0.05 -0.05 -0.04 1.64 1.27 1pj2B1 LEU 1050 HB3 -0.24 -0.02 -0.00 -0.04 1.64 1.34 1pj2B1 LEU 1050 HG -0.30 0.07 -0.24 -0.04 1.64 1.13 1pj2B1 LEU 1050 HD13 -1.06 -0.00 -0.12 -0.04 0.93 -0.29 1pj2B1 LEU 1050 HD23 -0.22 0.03 -0.37 -0.04 0.89 0.28 1pj2B1 GLN 1051 H -0.07 0.27 -0.04 -0.55 8.47 8.08 1pj2B1 GLN 1051 HA -0.04 0.01 0.31 -0.75 4.36 3.89 1pj2B1 GLN 1051 HB2 -0.04 0.04 0.05 -0.04 2.15 2.17 1pj2B1 GLN 1051 HB3 -0.03 0.00 -0.11 -0.04 2.02 1.84 1pj2B1 GLN 1051 HG2 -0.04 -0.00 -0.26 -0.04 2.40 2.06 1pj2B1 GLN 1051 HG3 -0.03 -0.02 -0.03 -0.04 2.39 2.27 1pj2B1 GLN 1051 HE21 -0.01 0.00 -0.02 -0.04 6.97 6.91 1pj2B1 GLN 1051 HE22 -0.02 -0.02 -0.03 -0.04 7.69 7.58 1pj2B1 GLY 1052 H -0.02 0.18 0.17 -0.55 8.43 8.21 1pj2B1 GLY 1052 HA2 -0.01 0.00 0.37 -0.51 4.01 3.85 1pj2B1 GLY 1052 HA3 -0.02 0.10 0.56 -0.51 4.01 4.14 1pj2B1 LEU 1053 H -0.04 0.70 -0.40 -0.55 8.37 8.08 1pj2B1 LEU 1053 HA -0.02 0.08 0.66 -0.75 4.35 4.31 1pj2B1 LEU 1053 HB2 -0.06 0.12 0.06 -0.04 1.64 1.72 1pj2B1 LEU 1053 HB3 -0.03 -0.05 0.11 -0.04 1.64 1.63 1pj2B1 LEU 1053 HG -0.04 0.07 -0.17 -0.04 1.64 1.45 1pj2B1 LEU 1053 HD13 -0.06 -0.01 0.08 -0.04 0.93 0.90 1pj2B1 LEU 1053 HD23 -0.03 -0.02 -0.03 -0.04 0.89 0.78 1pj2B1 LEU 1054 H -0.02 0.04 -0.12 -0.55 8.37 7.72 1pj2B1 LEU 1054 HA 0.01 0.18 0.77 -0.75 4.35 4.55 1pj2B1 LEU 1054 HB2 0.00 -0.08 -0.05 -0.04 1.64 1.48 1pj2B1 LEU 1054 HB3 0.04 0.11 0.00 -0.04 1.64 1.75 1pj2B1 LEU 1054 HG -0.01 -0.04 -0.36 -0.04 1.64 1.19 1pj2B1 LEU 1054 HD13 0.03 0.00 -0.08 -0.04 0.93 0.85 1pj2B1 LEU 1054 HD23 0.09 0.00 0.03 -0.04 0.89 0.97 1pj2B1 PRO 1055 HA 0.01 0.09 0.43 -0.51 4.44 4.45 1pj2B1 PRO 1055 HB2 0.02 -0.01 0.02 -0.04 2.28 2.27 1pj2B1 PRO 1055 HB3 0.01 -0.02 0.10 -0.04 2.02 2.07 1pj2B1 PRO 1055 HG2 0.02 0.02 0.05 -0.04 2.03 2.08 1pj2B1 PRO 1055 HG3 0.01 0.05 0.02 -0.04 2.03 2.07 1pj2B1 PRO 1055 HD2 0.03 0.13 0.16 -0.04 3.68 3.95 1pj2B1 PRO 1055 HD3 0.02 0.19 0.17 -0.04 3.65 3.99 1pj2B1 PRO 1056 HA 0.00 0.07 0.36 -0.51 4.44 4.36 1pj2B1 PRO 1056 HB2 0.01 -0.03 0.02 -0.04 2.28 2.24 1pj2B1 PRO 1056 HB3 0.00 -0.00 0.08 -0.04 2.02 2.06 1pj2B1 PRO 1056 HG2 0.00 0.01 0.08 -0.04 2.03 2.08 1pj2B1 PRO 1056 HG3 0.00 0.06 0.09 -0.04 2.03 2.14 1pj2B1 PRO 1056 HD2 0.01 0.06 0.19 -0.04 3.68 3.89 1pj2B1 PRO 1056 HD3 0.00 0.17 0.22 -0.04 3.65 4.00 1pj2B1 LYS 1057 H 0.01 -0.00 -0.42 -0.55 8.42 7.46 1pj2B1 LYS 1057 HA 0.01 -0.04 0.39 -0.75 4.32 3.93 1pj2B1 LYS 1057 HB2 0.01 -0.05 -0.00 -0.04 1.87 1.79 1pj2B1 LYS 1057 HB3 0.02 0.01 -0.04 -0.04 1.79 1.74 1pj2B1 LYS 1057 HG2 0.02 -0.03 -0.17 -0.04 1.46 1.24 1pj2B1 LYS 1057 HG3 0.02 0.03 -0.71 -0.04 1.46 0.76 1pj2B1 LYS 1057 HD2 0.02 0.03 -0.05 -0.04 1.69 1.65 1pj2B1 LYS 1057 HD3 0.01 -0.05 -0.05 -0.04 1.68 1.56 1pj2B1 LYS 1057 HE2 0.02 0.02 -0.14 -0.04 2.99 2.86 1pj2B1 LYS 1057 HE3 0.02 -0.04 -0.04 -0.04 2.99 2.89 1pj2B1 ILE 1058 H 0.02 0.09 0.15 -0.55 8.25 7.96 1pj2B1 ILE 1058 HA 0.02 0.29 0.71 -0.75 4.18 4.44 1pj2B1 ILE 1058 HB 0.01 -0.10 0.15 -0.04 1.89 1.92 1pj2B1 ILE 1058 HG12 0.01 0.04 0.06 -0.04 1.49 1.56 1pj2B1 ILE 1058 HG13 0.01 -0.13 0.05 -0.04 1.21 1.10 1pj2B1 ILE 1058 HG23 0.01 0.03 -0.12 -0.04 0.93 0.81 1pj2B1 ILE 1058 HD13 0.02 0.03 -0.13 -0.04 0.88 0.76 1pj2B1 GLU 1059 H 0.01 0.34 0.06 -0.55 8.60 8.47 1pj2B1 GLU 1059 HA 0.02 0.14 0.99 -0.75 4.29 4.69 1pj2B1 GLU 1059 HB2 0.03 0.16 0.04 -0.04 2.09 2.27 1pj2B1 GLU 1059 HB3 0.04 -0.07 0.11 -0.04 1.99 2.03 1pj2B1 GLU 1059 HG2 0.03 -0.04 -0.12 -0.04 2.34 2.17 1pj2B1 GLU 1059 HG3 0.03 0.02 -0.33 -0.04 2.34 2.02 1pj2B1 THR 1060 H 0.04 0.04 0.21 -0.55 8.28 8.02 1pj2B1 THR 1060 HA 0.06 0.32 0.88 -0.75 4.39 4.90 1pj2B1 THR 1060 HB 0.04 -0.07 0.19 -0.04 4.32 4.44 1pj2B1 THR 1060 HG23 0.03 0.05 -0.01 -0.04 1.22 1.24 1pj2B1 GLN 1061 H 0.11 0.23 0.20 -0.55 8.47 8.46 1pj2B1 GLN 1061 HA 0.15 0.19 0.46 -0.75 4.36 4.39 1pj2B1 GLN 1061 HB2 -0.06 0.06 0.16 -0.04 2.15 2.27 1pj2B1 GLN 1061 HB3 -0.09 -0.02 0.06 -0.04 2.02 1.93 1pj2B1 GLN 1061 HG2 -0.14 -0.05 0.01 -0.04 2.40 2.18 1pj2B1 GLN 1061 HG3 -0.30 0.06 0.03 -0.04 2.39 2.15 1pj2B1 GLN 1061 HE21 -0.65 0.74 0.04 -0.04 6.97 7.06 1pj2B1 GLN 1061 HE22 -1.28 -0.08 -0.13 -0.04 7.69 6.16 1pj2B1 ASP 1062 H 0.03 0.05 -0.17 -0.55 8.40 7.76 1pj2B1 ASP 1062 HA 0.02 0.15 0.38 -0.75 4.63 4.42 1pj2B1 ASP 1062 HB2 0.02 -0.07 0.07 -0.04 2.71 2.69 1pj2B1 ASP 1062 HB3 0.02 0.06 -0.03 -0.04 2.70 2.70 1pj2B1 ILE 1063 H 0.04 0.10 -0.28 -0.55 8.25 7.56 1pj2B1 ILE 1063 HA 0.05 0.07 0.45 -0.75 4.18 3.99 1pj2B1 ILE 1063 HB 0.04 0.11 0.14 -0.04 1.89 2.14 1pj2B1 ILE 1063 HG12 0.03 0.04 0.03 -0.04 1.49 1.55 1pj2B1 ILE 1063 HG13 0.03 -0.12 0.08 -0.04 1.21 1.17 1pj2B1 ILE 1063 HG23 0.04 0.02 -0.08 -0.04 0.93 0.86 1pj2B1 ILE 1063 HD13 0.03 -0.01 0.08 -0.04 0.88 0.93 1pj2B1 GLN 1064 H 0.06 0.36 -0.17 -0.55 8.47 8.18 1pj2B1 GLN 1064 HA 0.07 0.03 0.42 -0.75 4.36 4.12 1pj2B1 GLN 1064 HB2 0.07 0.10 0.16 -0.04 2.15 2.44 1pj2B1 GLN 1064 HB3 0.06 0.02 0.01 -0.04 2.02 2.06 1pj2B1 GLN 1064 HG2 0.06 -0.02 0.01 -0.04 2.40 2.41 1pj2B1 GLN 1064 HG3 0.07 0.02 0.04 -0.04 2.39 2.48 1pj2B1 GLN 1064 HE21 0.01 0.48 0.04 -0.04 6.97 7.46 1pj2B1 GLN 1064 HE22 0.03 -0.13 0.04 -0.04 7.69 7.60 1pj2B1 ALA 1065 H 0.06 0.49 -0.26 -0.55 8.40 8.14 1pj2B1 ALA 1065 HA 0.07 0.04 0.36 -0.75 4.34 4.06 1pj2B1 ALA 1065 HB3 0.10 0.06 0.08 -0.04 1.41 1.61 1pj2B1 LEU 1066 H 0.11 0.37 -0.19 -0.55 8.37 8.11 1pj2B1 LEU 1066 HA 0.19 0.00 0.36 -0.75 4.35 4.15 1pj2B1 LEU 1066 HB2 0.07 0.15 0.19 -0.04 1.64 2.01 1pj2B1 LEU 1066 HB3 0.07 -0.04 -0.05 -0.04 1.64 1.57 1pj2B1 LEU 1066 HG 0.06 0.12 0.07 -0.04 1.64 1.85 1pj2B1 LEU 1066 HD13 0.03 -0.03 -0.00 -0.04 0.93 0.89 1pj2B1 LEU 1066 HD23 0.04 -0.01 -0.00 -0.04 0.89 0.88 1pj2B1 ARG 1067 H 0.10 0.51 -0.11 -0.55 8.46 8.41 1pj2B1 ARG 1067 HA 0.07 -0.03 0.36 -0.75 4.34 3.98 1pj2B1 ARG 1067 HB2 0.07 -0.04 0.10 -0.04 1.90 1.99 1pj2B1 ARG 1067 HB3 0.11 0.20 0.17 -0.04 1.80 2.23 1pj2B1 ARG 1067 HG2 0.13 0.03 -0.26 -0.04 1.67 1.53 1pj2B1 ARG 1067 HG3 0.07 -0.06 -0.01 -0.04 1.67 1.63 1pj2B1 ARG 1067 HD2 0.08 0.03 -0.01 -0.04 3.22 3.28 1pj2B1 ARG 1067 HD3 0.08 0.00 -0.05 -0.04 3.22 3.22 1pj2B1 PHE 1068 H 0.21 0.50 -0.27 -0.55 8.34 8.23 1pj2B1 PHE 1068 HA 0.14 0.01 0.36 -0.75 4.62 4.38 1pj2B1 PHE 1068 HB2 -0.09 0.01 0.08 -0.04 3.15 3.11 1pj2B1 PHE 1068 HB3 -0.18 0.24 0.22 -0.04 3.06 3.29 1pj2B1 PHE 1068 HD2 -0.75 0.02 -0.04 -0.04 7.28 6.47 1pj2B1 PHE 1068 HE2 -0.45 0.01 -0.09 -0.04 7.38 6.81 1pj2B1 PHE 1068 HZ -0.13 0.00 -0.06 -0.04 7.32 7.09 1pj2B1 HIS 1069 H 0.09 0.55 0.03 -0.55 8.41 8.54 1pj2B1 HIS 1069 HA -0.34 -0.02 0.38 -0.75 4.63 3.91 1pj2B1 HIS 1069 HB2 0.04 0.07 0.11 -0.04 3.26 3.45 1pj2B1 HIS 1069 HB3 -0.01 -0.06 0.02 -0.04 3.20 3.12 1pj2B1 HIS 1069 HD2 0.14 0.07 -0.16 -0.04 6.97 6.98 1pj2B1 HIS 1069 HE1 0.17 0.04 -0.02 -0.04 7.75 7.89 1pj2B1 ARG 1070 H 0.04 0.61 -0.35 -0.55 8.46 8.21 1pj2B1 ARG 1070 HA 0.00 -0.02 0.41 -0.75 4.34 3.98 1pj2B1 ARG 1070 HB2 0.03 0.18 0.11 -0.04 1.90 2.19 1pj2B1 ARG 1070 HB3 -0.00 0.02 -0.03 -0.04 1.80 1.75 1pj2B1 ARG 1070 HG2 0.01 -0.05 -0.03 -0.04 1.67 1.56 1pj2B1 ARG 1070 HG3 0.00 -0.03 0.03 -0.04 1.67 1.63 1pj2B1 ARG 1070 HD2 0.02 -0.02 -0.04 -0.04 3.22 3.14 1pj2B1 ARG 1070 HD3 0.04 0.07 -0.10 -0.04 3.22 3.19 1pj2B1 ASN 1071 H -0.07 0.54 -0.07 -0.55 8.53 8.39 1pj2B1 ASN 1071 HA -0.11 0.02 0.52 -0.75 4.76 4.44 1pj2B1 ASN 1071 HB2 -0.11 0.14 0.15 -0.04 2.88 3.03 1pj2B1 ASN 1071 HB3 -0.37 -0.05 -0.01 -0.04 2.79 2.31 1pj2B1 ASN 1071 HD21 0.03 -0.10 -0.04 -0.04 7.03 6.87 1pj2B1 ASN 1071 HD22 0.13 0.03 -0.07 -0.04 7.74 7.78 1pj2B1 LEU 1072 H -0.28 0.56 -0.02 -0.55 8.37 8.08 1pj2B1 LEU 1072 HA -0.12 0.03 0.37 -0.75 4.35 3.87 1pj2B1 LEU 1072 HB2 -0.73 0.05 0.03 -0.04 1.64 0.96 1pj2B1 LEU 1072 HB3 -0.27 0.02 0.06 -0.04 1.64 1.40 1pj2B1 LEU 1072 HG -0.03 0.00 -0.15 -0.04 1.64 1.42 1pj2B1 LEU 1072 HD13 0.08 -0.01 -0.00 -0.04 0.93 0.96 1pj2B1 LEU 1072 HD23 -0.03 -0.01 -0.09 -0.04 0.89 0.72 1pj2B1 LYS 1073 H -0.08 0.45 -0.21 -0.55 8.42 8.03 1pj2B1 LYS 1073 HA -0.02 -0.00 0.35 -0.75 4.32 3.90 1pj2B1 LYS 1073 HB2 -0.02 0.16 0.08 -0.04 1.87 2.05 1pj2B1 LYS 1073 HB3 -0.01 -0.08 -0.01 -0.04 1.79 1.65 1pj2B1 LYS 1073 HG2 0.00 -0.05 0.02 -0.04 1.46 1.39 1pj2B1 LYS 1073 HG3 0.01 0.11 0.05 -0.04 1.46 1.60 1pj2B1 LYS 1073 HD2 -0.00 -0.04 -0.01 -0.04 1.69 1.60 1pj2B1 LYS 1073 HD3 -0.00 -0.02 0.02 -0.04 1.68 1.64 1pj2B1 LYS 1073 HE2 0.00 -0.01 -0.01 -0.04 2.99 2.93 1pj2B1 LYS 1073 HE3 0.00 -0.05 -0.01 -0.04 2.99 2.89 1pj2B1 LYS 1074 H -0.07 0.28 -0.70 -0.55 8.42 7.38 1pj2B1 LYS 1074 HA -0.03 0.02 0.42 -0.75 4.32 3.97 1pj2B1 LYS 1074 HB2 -0.08 0.19 0.13 -0.04 1.87 2.06 1pj2B1 LYS 1074 HB3 -0.05 -0.11 0.09 -0.04 1.79 1.68 1pj2B1 LYS 1074 HG2 -0.04 -0.12 -0.00 -0.04 1.46 1.26 1pj2B1 LYS 1074 HG3 -0.05 0.31 0.09 -0.04 1.46 1.77 1pj2B1 LYS 1074 HD2 -0.08 0.02 0.06 -0.04 1.69 1.65 1pj2B1 LYS 1074 HD3 -0.05 -0.10 0.01 -0.04 1.68 1.51 1pj2B1 LYS 1074 HE2 -0.03 -0.09 -0.03 -0.04 2.99 2.79 1pj2B1 LYS 1074 HE3 -0.04 0.21 -0.15 -0.04 2.99 2.97 1pj2B1 THR 1076 HA -0.00 0.01 0.10 -0.75 4.39 3.75 1pj2B1 THR 1076 HB 0.00 -0.07 -0.01 -0.04 4.32 4.20 1pj2B1 THR 1076 HG23 -0.01 0.03 0.24 -0.04 1.22 1.44 1pj2B1 SER 1077 H 0.01 0.12 0.14 -0.55 8.46 8.19 1pj2B1 SER 1077 HA 0.02 0.30 0.97 -0.75 4.49 5.02 1pj2B1 SER 1077 HB2 0.02 -0.05 0.12 -0.04 3.95 3.99 1pj2B1 SER 1077 HB3 0.01 0.06 0.06 -0.04 3.93 4.02 1pj2B1 PRO 1078 HA 0.06 0.16 0.43 -0.51 4.44 4.59 1pj2B1 PRO 1078 HB2 0.02 -0.06 0.10 -0.04 2.28 2.30 1pj2B1 PRO 1078 HB3 0.04 0.10 0.07 -0.04 2.02 2.19 1pj2B1 PRO 1078 HG2 0.02 0.01 0.09 -0.04 2.03 2.10 1pj2B1 PRO 1078 HG3 0.03 0.13 0.06 -0.04 2.03 2.21 1pj2B1 PRO 1078 HD2 0.02 0.03 0.24 -0.04 3.68 3.92 1pj2B1 PRO 1078 HD3 0.02 0.29 0.28 -0.04 3.65 4.19 1pj2B1 LEU 1079 H 0.03 0.11 -0.11 -0.55 8.37 7.86 1pj2B1 LEU 1079 HA 0.07 0.13 0.39 -0.75 4.35 4.19 1pj2B1 LEU 1079 HB2 -0.00 -0.02 0.06 -0.04 1.64 1.63 1pj2B1 LEU 1079 HB3 0.03 -0.02 0.01 -0.04 1.64 1.62 1pj2B1 LEU 1079 HG 0.06 0.04 -0.16 -0.04 1.64 1.54 1pj2B1 LEU 1079 HD13 -0.06 0.01 -0.06 -0.04 0.93 0.77 1pj2B1 LEU 1079 HD23 -0.02 0.01 -0.08 -0.04 0.89 0.76 1pj2B1 GLU 1080 H 0.06 0.05 -0.31 -0.55 8.60 7.85 1pj2B1 GLU 1080 HA 0.07 0.06 0.38 -0.75 4.29 4.04 1pj2B1 GLU 1080 HB2 0.03 -0.09 0.10 -0.04 2.09 2.08 1pj2B1 GLU 1080 HB3 0.03 0.22 0.14 -0.04 1.99 2.34 1pj2B1 GLU 1080 HG2 0.01 0.05 -0.19 -0.04 2.34 2.17 1pj2B1 GLU 1080 HG3 0.01 -0.03 0.02 -0.04 2.34 2.30 1pj2B1 LYS 1081 H 0.10 0.38 -0.24 -0.55 8.42 8.10 1pj2B1 LYS 1081 HA 0.18 0.04 0.40 -0.75 4.32 4.19 1pj2B1 LYS 1081 HB2 0.12 0.10 0.08 -0.04 1.87 2.14 1pj2B1 LYS 1081 HB3 0.14 -0.06 0.01 -0.04 1.79 1.84 1pj2B1 LYS 1081 HG2 0.06 0.04 -0.01 -0.04 1.46 1.51 1pj2B1 LYS 1081 HG3 0.06 0.17 -0.05 -0.04 1.46 1.60 1pj2B1 LYS 1081 HD2 0.06 -0.08 -0.11 -0.04 1.69 1.52 1pj2B1 LYS 1081 HD3 0.07 -0.05 -0.08 -0.04 1.68 1.59 1pj2B1 LYS 1081 HE2 0.02 0.21 -0.08 -0.04 2.99 3.09 1pj2B1 LYS 1081 HE3 0.03 0.02 -0.24 -0.04 2.99 2.75 1pj2B1 TYR 1082 H 0.23 0.25 -0.43 -0.55 8.29 7.79 1pj2B1 TYR 1082 HA 0.09 -0.01 0.33 -0.75 4.56 4.22 1pj2B1 TYR 1082 HB2 0.06 -0.00 0.07 -0.04 3.06 3.15 1pj2B1 TYR 1082 HB3 0.05 0.17 0.23 -0.04 2.98 3.39 1pj2B1 TYR 1082 HD2 0.06 0.12 -0.09 -0.04 7.15 7.20 1pj2B1 TYR 1082 HE2 0.09 0.02 -0.04 -0.04 6.85 6.87 1pj2B1 ILE 1083 H 0.22 0.48 -0.01 -0.55 8.25 8.39 1pj2B1 ILE 1083 HA -0.02 0.03 0.36 -0.75 4.18 3.80 1pj2B1 ILE 1083 HB 0.10 0.04 0.15 -0.04 1.89 2.13 1pj2B1 ILE 1083 HG12 0.14 0.02 0.03 -0.04 1.49 1.64 1pj2B1 ILE 1083 HG13 0.21 0.15 0.08 -0.04 1.21 1.61 1pj2B1 ILE 1083 HG23 0.02 0.00 -0.08 -0.04 0.93 0.84 1pj2B1 ILE 1083 HD13 0.06 -0.04 -0.04 -0.04 0.88 0.81 1pj2B1 TYR 1084 H 0.20 0.40 -0.23 -0.55 8.29 8.11 1pj2B1 TYR 1084 HA 0.01 -0.01 0.32 -0.75 4.56 4.12 1pj2B1 TYR 1084 HB2 0.02 -0.01 0.06 -0.04 3.06 3.09 1pj2B1 TYR 1084 HB3 0.05 0.03 0.12 -0.04 2.98 3.15 1pj2B1 TYR 1084 HD2 0.01 0.01 -0.05 -0.04 7.15 7.09 1pj2B1 TYR 1084 HE2 -0.19 -0.00 -0.06 -0.04 6.85 6.55 1pj2B1 ILE 1085 H 0.09 0.53 -0.10 -0.55 8.25 8.22 1pj2B1 ILE 1085 HA -0.25 -0.03 0.23 -0.75 4.18 3.37 1pj2B1 ILE 1085 HB -0.08 -0.10 0.09 -0.04 1.89 1.76 1pj2B1 ILE 1085 HG12 0.07 -0.12 -0.01 -0.04 1.49 1.39 1pj2B1 ILE 1085 HG13 -0.02 0.32 0.14 -0.04 1.21 1.61 1pj2B1 ILE 1085 HG23 0.29 0.08 0.05 -0.04 0.93 1.31 1pj2B1 ILE 1085 HD13 0.08 -0.04 0.02 -0.04 0.88 0.90 1pj2B1 GLY 1087 HA2 -0.14 -0.10 0.33 -0.51 4.01 3.59 1pj2B1 GLY 1087 HA3 -0.07 0.06 0.23 -0.51 4.01 3.73 1pj2B1 ILE 1088 H -0.15 0.51 -1.16 -0.55 8.25 6.90 1pj2B1 ILE 1088 HA -0.09 -0.01 0.39 -0.75 4.18 3.73 1pj2B1 ILE 1088 HB -0.02 0.21 0.14 -0.04 1.89 2.18 1pj2B1 ILE 1088 HG12 -0.14 -0.07 -0.05 -0.04 1.49 1.19 1pj2B1 ILE 1088 HG13 -0.31 0.34 -0.03 -0.04 1.21 1.17 1pj2B1 ILE 1088 HG23 -0.07 -0.03 -0.09 -0.04 0.93 0.69 1pj2B1 ILE 1088 HD13 -0.40 -0.04 -0.07 -0.04 0.88 0.33 1pj2B1 GLN 1089 H -0.45 0.38 0.02 -0.55 8.47 7.87 1pj2B1 GLN 1089 HA -0.56 0.01 0.38 -0.75 4.36 3.43 1pj2B1 GLN 1089 HB2 -2.51 0.00 0.04 -0.04 2.15 -0.35 1pj2B1 GLN 1089 HB3 -0.71 0.07 -0.05 -0.04 2.02 1.28 1pj2B1 GLN 1089 HG2 -0.37 0.02 -0.15 -0.04 2.40 1.86 1pj2B1 GLN 1089 HG3 -0.69 -0.04 0.03 -0.04 2.39 1.65 1pj2B1 GLN 1089 HE21 -0.08 -0.02 -0.06 -0.04 6.97 6.77 1pj2B1 GLN 1089 HE22 -0.11 -0.02 -0.04 -0.04 7.69 7.48 1pj2B1 GLU 1090 H -0.22 0.34 -0.50 -0.55 8.60 7.67 1pj2B1 GLU 1090 HA -0.12 0.11 0.70 -0.75 4.29 4.22 1pj2B1 GLU 1090 HB2 -0.13 0.15 0.08 -0.04 2.09 2.15 1pj2B1 GLU 1090 HB3 -0.10 -0.01 0.17 -0.04 1.99 2.01 1pj2B1 GLU 1090 HG2 -0.20 -0.08 -0.11 -0.04 2.34 1.91 1pj2B1 GLU 1090 HG3 -0.14 0.01 -0.02 -0.04 2.34 2.14 1pj2B1 ARG 1091 H -0.09 0.25 -0.43 -0.55 8.46 7.64 1pj2B1 ARG 1091 HA -0.03 0.24 0.95 -0.75 4.34 4.75 1pj2B1 ARG 1091 HB2 -0.03 -0.02 0.07 -0.04 1.90 1.88 1pj2B1 ARG 1091 HB3 -0.00 -0.07 -0.06 -0.04 1.80 1.63 1pj2B1 ARG 1091 HG2 -0.02 0.05 -0.06 -0.04 1.67 1.59 1pj2B1 ARG 1091 HG3 -0.05 0.16 -0.23 -0.04 1.67 1.51 1pj2B1 ARG 1091 HD2 0.01 -0.06 -0.07 -0.04 3.22 3.07 1pj2B1 ARG 1091 HD3 -0.00 -0.03 -0.08 -0.04 3.22 3.07 1pj2B1 ASN 1092 H -0.03 0.57 0.09 -0.55 8.53 8.62 1pj2B1 ASN 1092 HA 0.05 0.35 0.77 -0.75 4.76 5.18 1pj2B1 ASN 1092 HB2 0.03 0.05 -0.26 -0.04 2.88 2.66 1pj2B1 ASN 1092 HB3 0.03 -0.08 0.11 -0.04 2.79 2.81 1pj2B1 ASN 1092 HD21 0.22 0.01 -0.08 -0.04 7.03 7.13 1pj2B1 ASN 1092 HD22 0.06 -0.04 -0.27 -0.04 7.74 7.46 1pj2B1 GLU 1093 H 0.07 0.52 0.02 -0.55 8.60 8.67 1pj2B1 GLU 1093 HA 0.10 0.02 0.39 -0.75 4.29 4.04 1pj2B1 GLU 1093 HB2 0.08 0.02 -0.08 -0.04 2.09 2.07 1pj2B1 GLU 1093 HB3 0.20 0.09 0.08 -0.04 1.99 2.32 1pj2B1 GLU 1093 HG2 0.37 -0.02 -0.18 -0.04 2.34 2.47 1pj2B1 GLU 1093 HG3 0.28 -0.03 0.03 -0.04 2.34 2.57 1pj2B1 LYS 1094 H 0.24 0.30 -0.11 -0.55 8.42 8.30 1pj2B1 LYS 1094 HA 0.38 0.04 0.37 -0.75 4.32 4.35 1pj2B1 LYS 1094 HB2 0.25 0.09 0.06 -0.04 1.87 2.23 1pj2B1 LYS 1094 HB3 -0.19 -0.03 -0.10 -0.04 1.79 1.43 1pj2B1 LYS 1094 HG2 0.01 -0.08 -0.16 -0.04 1.46 1.19 1pj2B1 LYS 1094 HG3 -0.22 0.12 -0.08 -0.04 1.46 1.24 1pj2B1 LYS 1094 HD2 0.57 -0.07 -0.00 -0.04 1.69 2.15 1pj2B1 LYS 1094 HD3 0.31 0.07 0.04 -0.04 1.68 2.06 1pj2B1 LYS 1094 HE2 0.30 -0.04 0.03 -0.04 2.99 3.24 1pj2B1 LYS 1094 HE3 0.12 -0.09 0.03 -0.04 2.99 3.02 1pj2B1 LEU 1095 H 0.10 0.22 -0.31 -0.55 8.37 7.83 1pj2B1 LEU 1095 HA -0.10 -0.01 0.40 -0.75 4.35 3.88 1pj2B1 LEU 1095 HB2 0.06 -0.01 0.04 -0.04 1.64 1.70 1pj2B1 LEU 1095 HB3 0.01 0.19 0.07 -0.04 1.64 1.87 1pj2B1 LEU 1095 HG -0.14 -0.01 -0.24 -0.04 1.64 1.21 1pj2B1 LEU 1095 HD13 -0.05 -0.03 -0.06 -0.04 0.93 0.75 1pj2B1 LEU 1095 HD23 0.01 0.01 -0.09 -0.04 0.89 0.79 1pj2B1 PHE 1096 H 0.11 0.63 -0.11 -0.55 8.34 8.42 1pj2B1 PHE 1096 HA -0.34 -0.00 0.37 -0.75 4.62 3.89 1pj2B1 PHE 1096 HB2 -0.23 0.04 -0.20 -0.04 3.15 2.72 1pj2B1 PHE 1096 HB3 -0.27 0.22 0.20 -0.04 3.06 3.17 1pj2B1 PHE 1096 HD2 -0.96 0.07 0.01 -0.04 7.28 6.35 1pj2B1 PHE 1096 HE2 -0.42 -0.01 -0.01 -0.04 7.38 6.91 1pj2B1 PHE 1096 HZ -0.20 -0.03 -0.04 -0.04 7.32 7.01 1pj2B1 TYR 1097 H 0.16 0.56 -0.06 -0.55 8.29 8.41 1pj2B1 TYR 1097 HA -0.24 -0.04 0.42 -0.75 4.56 3.95 1pj2B1 TYR 1097 HB2 0.38 0.15 0.06 -0.04 3.06 3.60 1pj2B1 TYR 1097 HB3 0.25 -0.02 -0.03 -0.04 2.98 3.14 1pj2B1 TYR 1097 HD2 0.19 0.05 -0.03 -0.04 7.15 7.32 1pj2B1 TYR 1097 HE2 0.06 0.08 0.08 -0.04 6.85 7.03 1pj2B1 ARG 1098 H -0.04 0.45 -0.33 -0.55 8.46 7.99 1pj2B1 ARG 1098 HA -0.07 -0.02 0.45 -0.75 4.34 3.95 1pj2B1 ARG 1098 HB2 -0.16 0.03 0.05 -0.04 1.90 1.78 1pj2B1 ARG 1098 HB3 -0.14 0.14 0.20 -0.04 1.80 1.96 1pj2B1 ARG 1098 HG2 -0.11 -0.07 -0.08 -0.04 1.67 1.36 1pj2B1 ARG 1098 HG3 -0.08 0.02 -0.30 -0.04 1.67 1.27 1pj2B1 ARG 1098 HD2 -0.06 -0.00 0.05 -0.04 3.22 3.17 1pj2B1 ARG 1098 HD3 -0.10 -0.04 -0.05 -0.04 3.22 2.99 1pj2B1 ILE 1099 H -0.27 0.65 -0.13 -0.55 8.25 7.95 1pj2B1 ILE 1099 HA -0.19 -0.04 0.39 -0.75 4.18 3.60 1pj2B1 ILE 1099 HB -0.60 0.26 0.25 -0.04 1.89 1.76 1pj2B1 ILE 1099 HG12 -1.63 -0.01 -0.00 -0.04 1.49 -0.19 1pj2B1 ILE 1099 HG13 -1.03 -0.07 0.04 -0.04 1.21 0.11 1pj2B1 ILE 1099 HG23 -0.82 -0.03 -0.14 -0.04 0.93 -0.10 1pj2B1 ILE 1099 HD13 -0.22 0.02 -0.02 -0.04 0.88 0.61 1pj2B1 LEU 1100 H -0.39 0.46 -0.10 -0.55 8.37 7.79 1pj2B1 LEU 1100 HA -0.17 0.00 0.37 -0.75 4.35 3.79 1pj2B1 LEU 1100 HB2 -0.24 0.10 0.15 -0.04 1.64 1.62 1pj2B1 LEU 1100 HB3 -0.13 -0.05 -0.05 -0.04 1.64 1.36 1pj2B1 LEU 1100 HG -0.30 -0.07 0.01 -0.04 1.64 1.23 1pj2B1 LEU 1100 HD13 -1.05 0.04 -0.04 -0.04 0.93 -0.16 1pj2B1 LEU 1100 HD23 -0.39 -0.01 -0.05 -0.04 0.89 0.39 1pj2B1 GLN 1101 H -0.07 0.63 -0.12 -0.55 8.47 8.37 1pj2B1 GLN 1101 HA -0.02 -0.04 0.34 -0.75 4.36 3.89 1pj2B1 GLN 1101 HB2 0.00 0.08 0.16 -0.04 2.15 2.35 1pj2B1 GLN 1101 HB3 -0.04 0.11 0.15 -0.04 2.02 2.20 1pj2B1 GLN 1101 HG2 -0.03 -0.02 -0.10 -0.04 2.40 2.21 1pj2B1 GLN 1101 HG3 -0.02 -0.02 0.09 -0.04 2.39 2.40 1pj2B1 GLN 1101 HE21 -0.07 -0.10 0.02 -0.04 6.97 6.79 1pj2B1 GLN 1101 HE22 -0.03 0.08 0.03 -0.04 7.69 7.73 1pj2B1 ASP 1102 H -0.02 0.36 -0.63 -0.55 8.40 7.55 1pj2B1 ASP 1102 HA 0.01 -0.05 0.42 -0.75 4.63 4.26 1pj2B1 ASP 1102 HB2 0.13 0.33 0.19 -0.04 2.71 3.31 1pj2B1 ASP 1102 HB3 0.15 -0.10 -0.03 -0.04 2.70 2.67 1pj2B1 ASP 1103 H 0.04 0.45 -0.22 -0.55 8.40 8.12 1pj2B1 ASP 1103 HA 0.01 0.08 0.61 -0.75 4.63 4.58 1pj2B1 ASP 1103 HB2 0.03 0.11 -0.21 -0.04 2.71 2.60 1pj2B1 ASP 1103 HB3 0.10 0.00 0.12 -0.04 2.70 2.88 1pj2B1 ILE 1104 H -0.01 0.27 0.03 -0.55 8.25 8.00 1pj2B1 ILE 1104 HA -0.02 0.05 0.38 -0.75 4.18 3.83 1pj2B1 ILE 1104 HB -0.03 0.13 0.02 -0.04 1.89 1.97 1pj2B1 ILE 1104 HG12 -0.07 0.01 -0.10 -0.04 1.49 1.28 1pj2B1 ILE 1104 HG13 -0.05 -0.04 -0.18 -0.04 1.21 0.90 1pj2B1 ILE 1104 HG23 -0.03 0.00 0.03 -0.04 0.93 0.89 1pj2B1 ILE 1104 HD13 -0.05 -0.01 -0.07 -0.04 0.88 0.70 1pj2B1 GLU 1105 H 0.00 0.09 -0.18 -0.55 8.60 7.97 1pj2B1 GLU 1105 HA 0.01 0.05 0.23 -0.75 4.29 3.82 1pj2B1 GLU 1105 HB2 0.01 -0.07 -0.02 -0.04 2.09 1.97 1pj2B1 GLU 1105 HB3 0.02 -0.01 0.04 -0.04 1.99 2.00 1pj2B1 GLU 1105 HG2 0.03 0.01 -0.10 -0.04 2.34 2.25 1pj2B1 GLU 1105 HG3 0.03 0.07 -0.33 -0.04 2.34 2.08 1pj2B1 SER 1106 H 0.03 0.14 -0.21 -0.55 8.46 7.88 1pj2B1 SER 1106 HA 0.04 0.11 0.59 -0.75 4.49 4.47 1pj2B1 SER 1106 HB2 0.05 0.01 0.01 -0.04 3.95 3.99 1pj2B1 SER 1106 HB3 0.04 -0.05 0.03 -0.04 3.93 3.91 1pj2B1 LEU 1107 H 0.04 0.40 -0.22 -0.55 8.37 8.04 1pj2B1 LEU 1107 HA 0.07 0.12 0.51 -0.75 4.35 4.31 1pj2B1 LEU 1107 HB2 0.00 0.11 0.11 -0.04 1.64 1.82 1pj2B1 LEU 1107 HB3 0.01 -0.09 0.09 -0.04 1.64 1.61 1pj2B1 LEU 1107 HG 0.10 0.03 -0.06 -0.04 1.64 1.67 1pj2B1 LEU 1107 HD13 0.05 0.00 -0.10 -0.04 0.93 0.83 1pj2B1 LEU 1107 HD23 0.15 0.00 -0.10 -0.04 0.89 0.91 1pj2B1 PRO 1109 HA 0.04 0.14 0.12 -0.51 4.44 4.23 1pj2B1 PRO 1109 HB2 0.04 0.03 -0.14 -0.04 2.28 2.16 1pj2B1 PRO 1109 HB3 0.01 -0.10 0.11 -0.04 2.02 1.99 1pj2B1 PRO 1109 HG2 0.03 0.01 0.04 -0.04 2.03 2.07 1pj2B1 PRO 1109 HG3 0.03 -0.06 0.11 -0.04 2.03 2.07 1pj2B1 PRO 1109 HD2 0.05 0.29 -0.32 -0.04 3.68 3.66 1pj2B1 PRO 1109 HD3 0.05 0.23 0.10 -0.04 3.65 3.98 1pj2B1 ILE 1110 H 0.09 0.55 -0.71 -0.55 8.25 7.63 1pj2B1 ILE 1110 HA 0.11 0.05 0.86 -0.75 4.18 4.44 1pj2B1 ILE 1110 HB 0.11 0.12 0.13 -0.04 1.89 2.21 1pj2B1 ILE 1110 HG12 0.09 -0.07 -0.08 -0.04 1.49 1.38 1pj2B1 ILE 1110 HG13 0.08 -0.05 -0.29 -0.04 1.21 0.90 1pj2B1 ILE 1110 HG23 0.18 0.02 -0.23 -0.04 0.93 0.86 1pj2B1 ILE 1110 HD13 0.09 0.00 -0.06 -0.04 0.88 0.88 1pj2B1 VAL 1111 H 0.14 0.50 0.28 -0.55 8.24 8.60 1pj2B1 VAL 1111 HA 0.32 0.16 0.59 -0.75 4.13 4.45 1pj2B1 VAL 1111 HB 0.16 -0.01 0.04 -0.04 2.12 2.27 1pj2B1 VAL 1111 HG13 0.05 0.03 0.02 -0.04 0.97 1.03 1pj2B1 VAL 1111 HG23 0.08 0.04 -0.05 -0.04 0.95 0.98 1pj2B1 TYR 1112 H 0.22 0.08 -0.25 -0.55 8.29 7.79 1pj2B1 TYR 1112 HA 0.08 0.18 0.67 -0.75 4.56 4.73 1pj2B1 TYR 1112 HB2 0.06 0.06 -0.11 -0.04 3.06 3.03 1pj2B1 TYR 1112 HB3 0.03 0.13 -0.05 -0.04 2.98 3.05 1pj2B1 TYR 1112 HD2 0.04 0.13 -0.02 -0.04 7.15 7.27 1pj2B1 TYR 1112 HE2 0.07 -0.01 -0.05 -0.04 6.85 6.82 1pj2B1 THR 1113 H -1.11 0.13 0.06 -0.55 8.28 6.81 1pj2B1 THR 1113 HA -0.19 -0.10 0.42 -0.75 4.39 3.76 1pj2B1 THR 1113 HB -0.37 -0.05 0.05 -0.04 4.32 3.91 1pj2B1 THR 1113 HG23 -0.97 0.03 0.06 -0.04 1.22 0.31 1pj2B1 PRO 1114 HA -0.12 -0.09 0.43 -0.51 4.44 4.14 1pj2B1 PRO 1114 HB2 -0.07 0.01 0.11 -0.04 2.28 2.29 1pj2B1 PRO 1114 HB3 -0.10 -0.22 0.22 -0.04 2.02 1.87 1pj2B1 PRO 1114 HG2 -0.05 0.14 0.11 -0.04 2.03 2.19 1pj2B1 PRO 1114 HG3 -0.08 0.05 0.15 -0.04 2.03 2.11 1pj2B1 PRO 1114 HD2 -0.04 0.28 0.42 -0.04 3.68 4.30 1pj2B1 PRO 1114 HD3 -0.10 0.10 0.33 -0.04 3.65 3.94 1pj2B1 THR 1115 H -0.03 0.65 0.11 -0.55 8.28 8.46 1pj2B1 THR 1115 HA -0.06 -0.08 0.43 -0.75 4.39 3.92 1pj2B1 THR 1115 HB 0.04 0.41 0.15 -0.04 4.32 4.88 1pj2B1 THR 1115 HG23 -0.03 -0.02 -0.12 -0.04 1.22 1.00 1pj2B1 VAL 1116 H -0.04 0.63 -0.33 -0.55 8.24 7.95 1pj2B1 VAL 1116 HA -0.18 0.17 0.24 -0.75 4.13 3.60 1pj2B1 VAL 1116 HB 0.09 0.28 -0.28 -0.04 2.12 2.17 1pj2B1 VAL 1116 HG13 -0.11 -0.06 -0.44 -0.04 0.97 0.32 1pj2B1 VAL 1116 HG23 0.06 -0.01 -0.16 -0.04 0.95 0.80 1pj2B1 GLY 1117 H -0.10 0.16 -0.57 -0.55 8.43 7.37 1pj2B1 GLY 1117 HA2 -0.08 0.02 0.31 -0.51 4.01 3.75 1pj2B1 GLY 1117 HA3 -0.08 -0.03 0.20 -0.51 4.01 3.59 1pj2B1 LEU 1118 H -0.10 0.29 -0.10 -0.55 8.37 7.91 1pj2B1 LEU 1118 HA -0.06 -0.02 0.39 -0.75 4.35 3.91 1pj2B1 LEU 1118 HB2 -0.06 -0.08 0.11 -0.04 1.64 1.57 1pj2B1 LEU 1118 HB3 -0.11 0.21 0.17 -0.04 1.64 1.87 1pj2B1 LEU 1118 HG -0.07 0.04 -0.14 -0.04 1.64 1.43 1pj2B1 LEU 1118 HD13 -0.04 -0.01 0.02 -0.04 0.93 0.85 1pj2B1 LEU 1118 HD23 -0.03 -0.02 0.00 -0.04 0.89 0.80 1pj2B1 ALA 1119 H -0.26 0.66 -0.21 -0.55 8.40 8.05 1pj2B1 ALA 1119 HA -0.17 0.01 0.28 -0.75 4.34 3.71 1pj2B1 ALA 1119 HB3 -0.68 0.05 0.03 -0.04 1.41 0.76 1pj2B1 CYS 1120 H -0.11 0.52 -0.15 -0.55 8.50 8.21 1pj2B1 CYS 1120 HA -0.13 0.17 0.43 -0.75 4.58 4.29 1pj2B1 CYS 1120 HB2 -0.06 0.00 0.09 -0.04 2.97 2.96 1pj2B1 CYS 1120 HB3 -0.04 -0.11 -0.17 -0.04 2.97 2.60 1pj2B1 SER 1121 H -0.01 0.55 -0.19 -0.55 8.46 8.26 1pj2B1 SER 1121 HA 0.17 -0.04 0.35 -0.75 4.49 4.21 1pj2B1 SER 1121 HB2 0.05 -0.08 0.11 -0.04 3.95 3.99 1pj2B1 SER 1121 HB3 0.02 -0.06 0.07 -0.04 3.93 3.92 1pj2B1 GLN 1122 H -0.02 0.47 -0.84 -0.55 8.47 7.54 1pj2B1 GLN 1122 HA 0.00 0.08 0.86 -0.75 4.36 4.55 1pj2B1 GLN 1122 HB2 -0.07 0.03 -0.13 -0.04 2.15 1.94 1pj2B1 GLN 1122 HB3 -0.05 0.05 0.06 -0.04 2.02 2.04 1pj2B1 GLN 1122 HG2 -0.18 -0.12 0.12 -0.04 2.40 2.18 1pj2B1 GLN 1122 HG3 -0.38 0.01 0.06 -0.04 2.39 2.04 1pj2B1 GLN 1122 HE21 -0.07 -0.02 -0.04 -0.04 6.97 6.79 1pj2B1 GLN 1122 HE22 -0.11 -0.00 -0.03 -0.04 7.69 7.51 1pj2B1 TYR 1123 H -0.24 0.50 0.03 -0.55 8.29 8.03 1pj2B1 TYR 1123 HA -0.12 0.06 0.33 -0.75 4.56 4.08 1pj2B1 TYR 1123 HB2 -0.27 0.21 0.35 -0.04 3.06 3.31 1pj2B1 TYR 1123 HB3 -0.47 -0.08 0.05 -0.04 2.98 2.45 1pj2B1 TYR 1123 HD2 0.06 -0.01 -0.12 -0.04 7.15 7.04 1pj2B1 TYR 1123 HE2 0.21 -0.03 -0.02 -0.04 6.85 6.96 1pj2B1 GLY 1124 H -1.06 0.04 -0.30 -0.55 8.43 6.57 1pj2B1 GLY 1124 HA2 -0.05 0.14 0.43 -0.51 4.01 4.02 1pj2B1 GLY 1124 HA3 0.14 0.05 0.21 -0.51 4.01 3.91 1pj2B1 HIS 1125 H 0.14 0.42 -0.24 -0.55 8.41 8.19 1pj2B1 HIS 1125 HA -0.37 0.15 0.74 -0.75 4.63 4.39 1pj2B1 HIS 1125 HB2 -0.07 0.10 0.10 -0.04 3.26 3.35 1pj2B1 HIS 1125 HB3 -0.13 -0.03 0.05 -0.04 3.20 3.05 1pj2B1 HIS 1125 HD2 -0.00 -0.01 0.00 -0.04 6.97 6.92 1pj2B1 HIS 1125 HE1 0.28 -0.04 -0.04 -0.04 7.75 7.92 1pj2B1 ILE 1126 H -0.01 0.29 -0.07 -0.55 8.25 7.92 1pj2B1 ILE 1126 HA -0.02 0.17 0.76 -0.75 4.18 4.34 1pj2B1 ILE 1126 HB 0.03 -0.01 0.10 -0.04 1.89 1.97 1pj2B1 ILE 1126 HG12 -0.01 0.15 -0.02 -0.04 1.49 1.56 1pj2B1 ILE 1126 HG13 -0.06 0.07 -0.29 -0.04 1.21 0.89 1pj2B1 ILE 1126 HG23 0.03 -0.02 -0.09 -0.04 0.93 0.81 1pj2B1 ILE 1126 HD13 0.17 -0.03 -0.08 -0.04 0.88 0.90 1pj2B1 PHE 1127 H 0.04 0.10 -0.35 -0.55 8.34 7.57 1pj2B1 PHE 1127 HA -0.22 -0.02 0.37 -0.75 4.62 3.99 1pj2B1 PHE 1127 HB2 -0.20 0.11 0.08 -0.04 3.15 3.10 1pj2B1 PHE 1127 HB3 -0.13 0.03 0.01 -0.04 3.06 2.93 1pj2B1 PHE 1127 HD2 -0.14 -0.00 -0.20 -0.04 7.28 6.90 1pj2B1 PHE 1127 HE2 -0.04 -0.04 -0.22 -0.04 7.38 7.04 1pj2B1 PHE 1127 HZ -0.05 -0.03 -0.15 -0.04 7.32 7.06 1pj2B1 ARG 1128 H -0.75 0.06 0.18 -0.55 8.46 7.39 1pj2B1 ARG 1128 HA -0.33 0.15 0.86 -0.75 4.34 4.26 1pj2B1 ARG 1128 HB2 -0.26 -0.02 0.17 -0.04 1.90 1.75 1pj2B1 ARG 1128 HB3 -0.20 -0.03 0.05 -0.04 1.80 1.58 1pj2B1 ARG 1128 HG2 -0.12 -0.01 -0.06 -0.04 1.67 1.45 1pj2B1 ARG 1128 HG3 -0.15 0.21 -0.41 -0.04 1.67 1.29 1pj2B1 ARG 1128 HD2 -0.10 0.05 0.01 -0.04 3.22 3.14 1pj2B1 ARG 1128 HD3 -0.08 -0.06 -0.01 -0.04 3.22 3.03 1pj2B1 ARG 1129 H -0.55 0.18 0.24 -0.55 8.46 7.79 1pj2B1 ARG 1129 HA -0.36 0.20 0.89 -0.75 4.34 4.31 1pj2B1 ARG 1129 HB2 -0.19 -0.05 0.08 -0.04 1.90 1.70 1pj2B1 ARG 1129 HB3 -0.12 0.14 0.08 -0.04 1.80 1.86 1pj2B1 ARG 1129 HG2 -0.12 0.03 0.03 -0.04 1.67 1.56 1pj2B1 ARG 1129 HG3 -0.17 -0.08 -0.23 -0.04 1.67 1.14 1pj2B1 ARG 1129 HD2 -0.11 -0.02 0.03 -0.04 3.22 3.08 1pj2B1 ARG 1129 HD3 -0.08 0.03 0.06 -0.04 3.22 3.18 1pj2B1 PRO 1130 HA 0.35 0.07 0.60 -0.51 4.44 4.96 1pj2B1 PRO 1130 HB2 0.47 0.09 -0.02 -0.04 2.28 2.78 1pj2B1 PRO 1130 HB3 0.39 -0.01 0.04 -0.04 2.02 2.39 1pj2B1 PRO 1130 HG2 0.16 0.05 0.02 -0.04 2.03 2.22 1pj2B1 PRO 1130 HG3 0.18 0.01 0.04 -0.04 2.03 2.22 1pj2B1 PRO 1130 HD2 0.02 0.11 0.25 -0.04 3.68 4.01 1pj2B1 PRO 1130 HD3 0.24 0.13 0.11 -0.04 3.65 4.09 1pj2B1 LYS 1131 H 0.35 0.23 0.18 -0.55 8.42 8.63 1pj2B1 LYS 1131 HA 0.16 0.15 0.78 -0.75 4.32 4.65 1pj2B1 LYS 1131 HB2 0.13 -0.06 0.03 -0.04 1.87 1.93 1pj2B1 LYS 1131 HB3 0.06 -0.04 -0.00 -0.04 1.79 1.77 1pj2B1 LYS 1131 HG2 -0.00 0.04 -0.06 -0.04 1.46 1.39 1pj2B1 LYS 1131 HG3 0.02 0.08 -0.59 -0.04 1.46 0.94 1pj2B1 LYS 1131 HD2 0.05 -0.03 -0.07 -0.04 1.69 1.60 1pj2B1 LYS 1131 HD3 -0.03 -0.05 -0.08 -0.04 1.68 1.47 1pj2B1 LYS 1131 HE2 -0.15 -0.01 -0.12 -0.04 2.99 2.67 1pj2B1 LYS 1131 HE3 -0.11 0.06 -0.09 -0.04 2.99 2.81 1pj2B1 GLY 1132 H 0.37 0.11 0.11 -0.55 8.43 8.47 1pj2B1 GLY 1132 HA2 -0.24 0.03 0.43 -0.51 4.01 3.71 1pj2B1 GLY 1132 HA3 -0.24 0.09 0.39 -0.51 4.01 3.74 1pj2B1 LEU 1133 H -0.51 0.44 0.28 -0.55 8.37 8.04 1pj2B1 LEU 1133 HA 0.11 0.15 0.71 -0.75 4.35 4.56 1pj2B1 LEU 1133 HB2 -0.38 0.03 0.11 -0.04 1.64 1.36 1pj2B1 LEU 1133 HB3 -0.09 -0.09 -0.19 -0.04 1.64 1.23 1pj2B1 LEU 1133 HG -0.01 0.03 -0.06 -0.04 1.64 1.55 1pj2B1 LEU 1133 HD13 -0.02 0.00 -0.12 -0.04 0.93 0.76 1pj2B1 LEU 1133 HD23 0.27 0.03 -0.09 -0.04 0.89 1.06 1pj2B1 PHE 1134 H 0.29 0.25 0.15 -0.55 8.34 8.48 1pj2B1 PHE 1134 HA -0.06 0.22 1.04 -0.75 4.62 5.07 1pj2B1 PHE 1134 HB2 0.01 -0.01 0.13 -0.04 3.15 3.24 1pj2B1 PHE 1134 HB3 -0.03 -0.08 -0.01 -0.04 3.06 2.90 1pj2B1 PHE 1134 HD2 0.02 -0.06 -0.02 -0.04 7.28 7.18 1pj2B1 PHE 1134 HE2 0.11 0.03 -0.08 -0.04 7.38 7.40 1pj2B1 PHE 1134 HZ 0.18 -0.04 -0.01 -0.04 7.32 7.41 1pj2B1 ILE 1135 H -0.03 0.65 0.28 -0.55 8.25 8.60 1pj2B1 ILE 1135 HA 0.05 0.18 0.92 -0.75 4.18 4.58 1pj2B1 ILE 1135 HB -0.11 -0.05 0.08 -0.04 1.89 1.77 1pj2B1 ILE 1135 HG12 0.06 0.07 -0.17 -0.04 1.49 1.40 1pj2B1 ILE 1135 HG13 -0.02 -0.01 -0.39 -0.04 1.21 0.74 1pj2B1 ILE 1135 HG23 0.02 -0.01 -0.18 -0.04 0.93 0.72 1pj2B1 ILE 1135 HD13 0.13 0.00 -0.12 -0.04 0.88 0.85 1pj2B1 SER 1136 H 0.04 0.22 0.10 -0.55 8.46 8.28 1pj2B1 SER 1136 HA 0.02 0.20 1.10 -0.75 4.49 5.06 1pj2B1 SER 1136 HB2 0.02 0.05 0.20 -0.04 3.95 4.18 1pj2B1 SER 1136 HB3 0.02 0.09 0.02 -0.04 3.93 4.01 1pj2B1 ILE 1137 H 0.04 0.59 0.31 -0.55 8.25 8.63 1pj2B1 ILE 1137 HA 0.04 0.06 0.34 -0.75 4.18 3.87 1pj2B1 ILE 1137 HB 0.08 -0.02 0.19 -0.04 1.89 2.09 1pj2B1 ILE 1137 HG12 0.07 -0.01 -0.01 -0.04 1.49 1.50 1pj2B1 ILE 1137 HG13 0.06 0.04 -0.11 -0.04 1.21 1.15 1pj2B1 ILE 1137 HG23 0.05 0.06 0.03 -0.04 0.93 1.02 1pj2B1 ILE 1137 HD13 0.08 -0.02 -0.04 -0.04 0.88 0.85 1pj2B1 SER 1138 H 0.04 0.08 -0.34 -0.55 8.46 7.69 1pj2B1 SER 1138 HA 0.05 0.09 0.43 -0.75 4.49 4.31 1pj2B1 SER 1138 HB2 0.03 0.01 -0.03 -0.04 3.95 3.91 1pj2B1 SER 1138 HB3 0.03 0.07 0.08 -0.04 3.93 4.07 1pj2B1 ASP 1139 H 0.05 0.67 -0.51 -0.55 8.40 8.06 1pj2B1 ASP 1139 HA 0.12 0.23 0.75 -0.75 4.63 4.98 1pj2B1 ASP 1139 HB2 0.06 0.05 0.02 -0.04 2.71 2.80 1pj2B1 ASP 1139 HB3 0.09 0.00 0.03 -0.04 2.70 2.78 1pj2B1 ARG 1140 H 0.06 0.38 -0.28 -0.55 8.46 8.07 1pj2B1 ARG 1140 HA 0.02 -0.05 0.39 -0.75 4.34 3.94 1pj2B1 ARG 1140 HB2 0.01 -0.05 0.03 -0.04 1.90 1.85 1pj2B1 ARG 1140 HB3 0.03 0.03 0.16 -0.04 1.80 1.97 1pj2B1 ARG 1140 HG2 0.05 0.09 0.09 -0.04 1.67 1.86 1pj2B1 ARG 1140 HG3 0.02 -0.02 -0.07 -0.04 1.67 1.57 1pj2B1 ARG 1140 HD2 0.05 0.03 0.06 -0.04 3.22 3.31 1pj2B1 ARG 1140 HD3 0.04 -0.03 -0.00 -0.04 3.22 3.18 1pj2B1 GLY 1141 H -0.04 0.10 0.18 -0.55 8.43 8.12 1pj2B1 GLY 1141 HA2 -0.12 0.01 0.37 -0.51 4.01 3.76 1pj2B1 GLY 1141 HA3 -0.26 0.16 0.54 -0.51 4.01 3.94 1pj2B1 HIS 1142 H 0.00 0.52 -0.36 -0.55 8.41 8.03 1pj2B1 HIS 1142 HA 0.01 0.15 0.84 -0.75 4.63 4.88 1pj2B1 HIS 1142 HB2 0.02 0.11 -0.01 -0.04 3.26 3.34 1pj2B1 HIS 1142 HB3 0.02 -0.05 0.14 -0.04 3.20 3.27 1pj2B1 HIS 1142 HD2 0.02 0.09 -0.18 -0.04 6.97 6.86 1pj2B1 HIS 1142 HE1 0.01 -0.03 -0.04 -0.04 7.75 7.64 1pj2B1 VAL 1143 H 0.03 0.03 -0.01 -0.55 8.24 7.74 1pj2B1 VAL 1143 HA 0.07 0.13 0.44 -0.75 4.13 4.01 1pj2B1 VAL 1143 HB 0.02 0.03 -0.07 -0.04 2.12 2.07 1pj2B1 VAL 1143 HG13 0.08 0.02 -0.17 -0.04 0.97 0.85 1pj2B1 VAL 1143 HG23 0.04 -0.02 -0.06 -0.04 0.95 0.87 1pj2B1 ARG 1144 H 0.02 0.10 -0.20 -0.55 8.46 7.83 1pj2B1 ARG 1144 HA -0.01 0.12 0.39 -0.75 4.34 4.09 1pj2B1 ARG 1144 HB2 -0.01 0.01 0.04 -0.04 1.90 1.90 1pj2B1 ARG 1144 HB3 0.01 -0.02 -0.01 -0.04 1.80 1.74 1pj2B1 ARG 1144 HG2 -0.02 0.02 -0.06 -0.04 1.67 1.57 1pj2B1 ARG 1144 HG3 -0.01 0.02 -0.21 -0.04 1.67 1.42 1pj2B1 ARG 1144 HD2 -0.04 -0.07 0.10 -0.04 3.22 3.16 1pj2B1 ARG 1144 HD3 -0.05 0.02 0.02 -0.04 3.22 3.17 1pj2B1 SER 1145 H 0.06 0.12 -0.35 -0.55 8.46 7.75 1pj2B1 SER 1145 HA 0.03 0.11 0.37 -0.75 4.49 4.24 1pj2B1 SER 1145 HB2 0.04 0.03 0.04 -0.04 3.95 4.02 1pj2B1 SER 1145 HB3 0.06 -0.06 0.05 -0.04 3.93 3.95 1pj2B1 ILE 1146 H 0.07 0.19 -0.41 -0.55 8.25 7.54 1pj2B1 ILE 1146 HA 0.09 0.09 0.49 -0.75 4.18 4.09 1pj2B1 ILE 1146 HB 0.08 0.08 0.17 -0.04 1.89 2.17 1pj2B1 ILE 1146 HG12 0.08 0.03 0.04 -0.04 1.49 1.60 1pj2B1 ILE 1146 HG13 0.07 0.04 0.02 -0.04 1.21 1.30 1pj2B1 ILE 1146 HG23 0.10 0.00 -0.21 -0.04 0.93 0.78 1pj2B1 ILE 1146 HD13 0.07 0.00 0.05 -0.04 0.88 0.97 1pj2B1 VAL 1147 H 0.06 0.39 -0.09 -0.55 8.24 8.05 1pj2B1 VAL 1147 HA 0.11 0.01 0.35 -0.75 4.13 3.85 1pj2B1 VAL 1147 HB -0.01 0.09 0.09 -0.04 2.12 2.25 1pj2B1 VAL 1147 HG13 -0.01 0.03 -0.20 -0.04 0.97 0.74 1pj2B1 VAL 1147 HG23 0.00 -0.01 -0.07 -0.04 0.95 0.84 1pj2B1 ASP 1148 H 0.04 0.38 -0.27 -0.55 8.40 8.00 1pj2B1 ASP 1148 HA 0.03 0.12 0.36 -0.75 4.63 4.38 1pj2B1 ASP 1148 HB2 0.03 0.02 0.03 -0.04 2.71 2.74 1pj2B1 ASP 1148 HB3 0.01 -0.03 0.04 -0.04 2.70 2.68 1pj2B1 ASN 1149 H 0.11 0.26 -0.70 -0.55 8.53 7.66 1pj2B1 ASN 1149 HA 0.06 0.03 0.50 -0.75 4.76 4.60 1pj2B1 ASN 1149 HB2 0.12 0.21 0.16 -0.04 2.88 3.34 1pj2B1 ASN 1149 HB3 0.10 -0.09 0.05 -0.04 2.79 2.81 1pj2B1 ASN 1149 HD21 0.04 -0.10 -0.02 -0.04 7.03 6.91 1pj2B1 ASN 1149 HD22 0.07 -0.04 0.02 -0.04 7.74 7.75 1pj2B1 TRP 1150 H 0.32 0.42 -0.33 -0.55 7.97 7.83 1pj2B1 TRP 1150 HA 0.04 -0.00 0.46 -0.75 4.62 4.36 1pj2B1 TRP 1150 HB2 0.07 -0.07 0.10 -0.04 3.23 3.29 1pj2B1 TRP 1150 HB3 0.15 0.15 0.09 -0.04 3.23 3.57 1pj2B1 TRP 1150 HD1 0.08 0.22 -0.09 -0.04 7.22 7.39 1pj2B1 TRP 1150 HE1 -0.07 0.10 0.00 -0.04 10.20 10.19 1pj2B1 TRP 1150 HE3 0.03 0.01 -0.09 -0.04 7.59 7.50 1pj2B1 TRP 1150 HZ2 -0.07 0.09 0.09 -0.04 7.44 7.51 1pj2B1 TRP 1150 HZ3 0.00 0.11 -0.32 -0.04 7.13 6.88 1pj2B1 TRP 1150 HH2 -0.04 -0.21 0.09 -0.04 7.19 6.99 1pj2B1 PRO 1151 HA -0.14 0.08 0.37 -0.51 4.44 4.24 1pj2B1 PRO 1151 HB2 -0.48 -0.04 0.08 -0.04 2.28 1.80 1pj2B1 PRO 1151 HB3 -0.24 -0.02 0.08 -0.04 2.02 1.81 1pj2B1 PRO 1151 HG2 -0.51 -0.01 0.10 -0.04 2.03 1.58 1pj2B1 PRO 1151 HG3 -0.28 0.08 0.11 -0.04 2.03 1.90 1pj2B1 PRO 1151 HD2 -1.93 0.01 0.21 -0.04 3.68 1.93 1pj2B1 PRO 1151 HD3 -0.53 0.21 0.32 -0.04 3.65 3.60 1pj2B1 GLU 1152 H -0.52 0.05 -0.14 -0.55 8.60 7.45 1pj2B1 GLU 1152 HA 0.04 0.00 0.51 -0.75 4.29 4.09 1pj2B1 GLU 1152 HB2 0.44 0.02 0.04 -0.04 2.09 2.54 1pj2B1 GLU 1152 HB3 0.15 -0.00 -0.03 -0.04 1.99 2.06 1pj2B1 GLU 1152 HG2 -0.15 -0.09 0.04 -0.04 2.34 2.11 1pj2B1 GLU 1152 HG3 0.13 0.12 0.11 -0.04 2.34 2.66 1pj2B1 ASN 1153 H 0.13 0.04 0.17 -0.55 8.53 8.33 1pj2B1 ASN 1153 HA 0.31 0.27 0.75 -0.75 4.76 5.34 1pj2B1 ASN 1153 HB2 0.10 -0.05 0.07 -0.04 2.88 2.96 1pj2B1 ASN 1153 HB3 0.09 0.00 0.09 -0.04 2.79 2.93 1pj2B1 ASN 1153 HD21 0.03 0.02 0.04 -0.04 7.03 7.08 1pj2B1 ASN 1153 HD22 0.05 -0.06 0.06 -0.04 7.74 7.75 1pj2B1 HIS 1154 H 0.21 0.04 -0.10 -0.55 8.41 8.00 1pj2B1 HIS 1154 HA 0.16 0.35 1.03 -0.75 4.63 5.41 1pj2B1 HIS 1154 HB2 0.07 -0.06 -0.05 -0.04 3.26 3.18 1pj2B1 HIS 1154 HB3 0.03 -0.05 0.14 -0.04 3.20 3.28 1pj2B1 HIS 1154 HD2 0.10 0.17 -0.02 -0.04 6.97 7.17 1pj2B1 HIS 1154 HE1 0.04 -0.02 -0.01 -0.04 7.75 7.72 1pj2B1 VAL 1155 H -0.25 0.23 -0.27 -0.55 8.24 7.40 1pj2B1 VAL 1155 HA -0.26 0.06 0.51 -0.75 4.13 3.69 1pj2B1 VAL 1155 HB -2.18 0.02 -0.02 -0.04 2.12 -0.11 1pj2B1 VAL 1155 HG13 -0.46 -0.01 -0.34 -0.04 0.97 0.12 1pj2B1 VAL 1155 HG23 -0.40 0.01 -0.23 -0.04 0.95 0.30 1pj2B1 LYS 1156 H -0.20 0.53 0.38 -0.55 8.42 8.58 1pj2B1 LYS 1156 HA -0.10 0.22 0.97 -0.75 4.32 4.66 1pj2B1 LYS 1156 HB2 -0.11 -0.00 0.09 -0.04 1.87 1.81 1pj2B1 LYS 1156 HB3 -0.07 -0.04 0.09 -0.04 1.79 1.72 1pj2B1 LYS 1156 HG2 -0.37 0.12 -0.13 -0.04 1.46 1.04 1pj2B1 LYS 1156 HG3 -0.23 -0.04 -0.01 -0.04 1.46 1.14 1pj2B1 LYS 1156 HD2 -0.13 0.12 -0.10 -0.04 1.69 1.54 1pj2B1 LYS 1156 HD3 -0.64 -0.02 -0.11 -0.04 1.68 0.87 1pj2B1 LYS 1156 HE2 -0.07 -0.01 -0.01 -0.04 2.99 2.86 1pj2B1 LYS 1156 HE3 -0.03 -0.03 0.03 -0.04 2.99 2.91 1pj2B1 ALA 1157 H -0.16 0.46 0.29 -0.55 8.40 8.45 1pj2B1 ALA 1157 HA -0.03 0.29 0.97 -0.75 4.34 4.81 1pj2B1 ALA 1157 HB3 0.08 -0.01 -0.07 -0.04 1.41 1.37 1pj2B1 VAL 1158 H -0.10 0.79 0.34 -0.55 8.24 8.72 1pj2B1 VAL 1158 HA -0.26 0.25 1.10 -0.75 4.13 4.46 1pj2B1 VAL 1158 HB -0.15 -0.02 0.07 -0.04 2.12 1.97 1pj2B1 VAL 1158 HG13 -0.09 -0.00 -0.23 -0.04 0.97 0.60 1pj2B1 VAL 1158 HG23 -0.23 0.01 -0.26 -0.04 0.95 0.43 1pj2B1 VAL 1159 H -0.28 0.53 0.25 -0.55 8.24 8.20 1pj2B1 VAL 1159 HA -0.23 0.27 1.05 -0.75 4.13 4.47 1pj2B1 VAL 1159 HB -0.28 0.02 0.17 -0.04 2.12 1.99 1pj2B1 VAL 1159 HG13 -0.20 -0.03 -0.10 -0.04 0.97 0.60 1pj2B1 VAL 1159 HG23 -0.39 -0.01 -0.18 -0.04 0.95 0.33 1pj2B1 VAL 1160 H -0.26 0.58 0.34 -0.55 8.24 8.35 1pj2B1 VAL 1160 HA -0.26 0.40 1.19 -0.75 4.13 4.70 1pj2B1 VAL 1160 HB -0.34 0.07 -0.13 -0.04 2.12 1.68 1pj2B1 VAL 1160 HG13 -0.59 -0.01 -0.10 -0.04 0.97 0.22 1pj2B1 VAL 1160 HG23 -0.56 -0.01 -0.16 -0.04 0.95 0.18 1pj2B1 THR 1161 H -0.23 0.66 0.47 -0.55 8.28 8.63 1pj2B1 THR 1161 HA -0.20 0.13 0.84 -0.75 4.39 4.40 1pj2B1 THR 1161 HB -0.12 0.06 -0.02 -0.04 4.32 4.20 1pj2B1 THR 1161 HG23 -0.17 0.08 -0.02 -0.04 1.22 1.06 1pj2B1 ASP 1162 H -0.74 0.08 0.25 -0.55 8.40 7.44 1pj2B1 ASP 1162 HA -0.24 0.42 1.02 -0.75 4.63 5.07 1pj2B1 ASP 1162 HB2 -0.07 0.07 0.27 -0.04 2.71 2.94 1pj2B1 ASP 1162 HB3 -0.36 0.05 0.05 -0.04 2.70 2.39 1pj2B1 GLY 1163 H -0.26 0.07 0.15 -0.55 8.43 7.84 1pj2B1 GLY 1163 HA2 -0.11 0.08 0.35 -0.51 4.01 3.82 1pj2B1 GLY 1163 HA3 -0.08 0.34 0.46 -0.51 4.01 4.22 1pj2B1 GLU 1164 H -0.17 0.02 -0.09 -0.55 8.60 7.82 1pj2B1 GLU 1164 HA -0.05 0.07 0.70 -0.75 4.29 4.26 1pj2B1 GLU 1164 HB2 -0.06 0.09 0.10 -0.04 2.09 2.18 1pj2B1 GLU 1164 HB3 -0.05 -0.19 0.16 -0.04 1.99 1.87 1pj2B1 GLU 1164 HG2 -0.01 -0.06 -0.08 -0.04 2.34 2.15 1pj2B1 GLU 1164 HG3 -0.03 0.04 0.13 -0.04 2.34 2.43 1pj2B1 ARG 1165 H -0.06 0.35 -0.10 -0.55 8.46 8.10 1pj2B1 ARG 1165 HA -0.02 0.22 0.73 -0.75 4.34 4.52 1pj2B1 ARG 1165 HB2 0.01 -0.20 -0.34 -0.04 1.90 1.32 1pj2B1 ARG 1165 HB3 0.01 -0.03 -0.10 -0.04 1.80 1.64 1pj2B1 ARG 1165 HG2 -0.01 0.16 -0.03 -0.04 1.67 1.75 1pj2B1 ARG 1165 HG3 0.01 -0.11 -0.04 -0.04 1.67 1.48 1pj2B1 ARG 1165 HD2 0.00 -0.02 -0.03 -0.04 3.22 3.14 1pj2B1 ARG 1165 HD3 0.01 -0.08 -0.03 -0.04 3.22 3.08 1pj2B1 ILE 1166 H -0.03 0.69 -0.08 -0.55 8.25 8.27 1pj2B1 ILE 1166 HA -0.04 -0.00 0.56 -0.75 4.18 3.94 1pj2B1 ILE 1166 HB -0.03 0.07 0.02 -0.04 1.89 1.91 1pj2B1 ILE 1166 HG12 -0.05 -0.01 -0.05 -0.04 1.49 1.34 1pj2B1 ILE 1166 HG13 -0.04 0.07 -0.05 -0.04 1.21 1.14 1pj2B1 ILE 1166 HG23 -0.05 0.00 -0.18 -0.04 0.93 0.66 1pj2B1 ILE 1166 HD13 -0.08 -0.00 0.00 -0.04 0.88 0.76 1pj2B1 LEU 1167 H -0.03 0.10 0.19 -0.55 8.37 8.08 1pj2B1 LEU 1167 HA -0.04 0.01 0.29 -0.75 4.35 3.85 1pj2B1 LEU 1167 HB2 -0.05 0.13 -0.03 -0.04 1.64 1.65 1pj2B1 LEU 1167 HB3 -0.06 -0.03 -0.12 -0.04 1.64 1.39 1pj2B1 LEU 1167 HG -0.07 0.01 -0.21 -0.04 1.64 1.33 1pj2B1 LEU 1167 HD13 -0.10 -0.01 -0.08 -0.04 0.93 0.70 1pj2B1 LEU 1167 HD23 -0.10 -0.00 -0.01 -0.04 0.89 0.74 1pj2B1 GLY 1168 H -0.04 0.29 0.25 -0.55 8.43 8.38 1pj2B1 GLY 1168 HA2 -0.02 0.08 0.78 -0.51 4.01 4.34 1pj2B1 GLY 1168 HA3 -0.03 0.05 0.46 -0.51 4.01 3.98 1pj2B1 LEU 1169 H -0.03 0.44 -0.17 -0.55 8.37 8.07 1pj2B1 LEU 1169 HA -0.02 0.10 0.57 -0.75 4.35 4.25 1pj2B1 LEU 1169 HB2 -0.03 0.16 0.06 -0.04 1.64 1.79 1pj2B1 LEU 1169 HB3 -0.01 -0.01 -0.13 -0.04 1.64 1.45 1pj2B1 LEU 1169 HG -0.01 0.03 -0.02 -0.04 1.64 1.60 1pj2B1 LEU 1169 HD13 -0.03 -0.02 -0.07 -0.04 0.93 0.77 1pj2B1 LEU 1169 HD23 -0.03 -0.02 -0.10 -0.04 0.89 0.70 1pj2B1 GLY 1170 H -0.02 0.15 -0.25 -0.55 8.43 7.76 1pj2B1 GLY 1170 HA2 -0.02 -0.01 0.26 -0.51 4.01 3.73 1pj2B1 GLY 1170 HA3 -0.02 0.17 0.81 -0.51 4.01 4.47 1pj2B1 ASP 1171 H -0.03 0.10 0.21 -0.55 8.40 8.13 1pj2B1 ASP 1171 HA -0.04 0.23 0.85 -0.75 4.63 4.92 1pj2B1 ASP 1171 HB2 -0.04 0.04 0.26 -0.04 2.71 2.93 1pj2B1 ASP 1171 HB3 -0.05 -0.04 0.28 -0.04 2.70 2.86 1pj2B1 LEU 1172 H -0.03 0.57 0.34 -0.55 8.37 8.70 1pj2B1 LEU 1172 HA -0.03 0.20 0.94 -0.75 4.35 4.70 1pj2B1 LEU 1172 HB2 0.02 -0.01 -0.09 -0.04 1.64 1.52 1pj2B1 LEU 1172 HB3 0.12 0.03 -0.05 -0.04 1.64 1.70 1pj2B1 LEU 1172 HG 0.00 -0.01 -0.52 -0.04 1.64 1.07 1pj2B1 LEU 1172 HD13 0.04 0.01 -0.28 -0.04 0.93 0.66 1pj2B1 LEU 1172 HD23 0.04 0.06 -0.11 -0.04 0.89 0.84 1pj2B1 GLY 1173 H -0.03 0.15 0.12 -0.55 8.43 8.12 1pj2B1 GLY 1173 HA2 0.02 0.14 0.35 -0.51 4.01 4.01 1pj2B1 GLY 1173 HA3 0.12 0.03 0.38 -0.51 4.01 4.03 1pj2B1 VAL 1174 H 0.16 0.17 0.18 -0.55 8.24 8.21 1pj2B1 VAL 1174 HA 0.08 0.04 0.35 -0.75 4.13 3.84 1pj2B1 VAL 1174 HB -0.21 0.15 0.11 -0.04 2.12 2.13 1pj2B1 VAL 1174 HG13 0.17 0.03 -0.05 -0.04 0.97 1.09 1pj2B1 VAL 1174 HG23 -0.04 -0.03 0.04 -0.04 0.95 0.87 1pj2B1 TYR 1175 H 0.29 0.30 -0.15 -0.55 8.29 8.17 1pj2B1 TYR 1175 HA 0.14 0.08 0.43 -0.75 4.56 4.45 1pj2B1 TYR 1175 HB2 0.11 0.18 0.12 -0.04 3.06 3.42 1pj2B1 TYR 1175 HB3 0.07 0.31 0.13 -0.04 2.98 3.44 1pj2B1 TYR 1175 HD2 0.16 0.03 -0.04 -0.04 7.15 7.26 1pj2B1 TYR 1175 HE2 0.18 0.12 -0.01 -0.04 6.85 7.10 1pj2B1 GLY 1176 H 0.05 0.35 -0.82 -0.55 8.43 7.47 1pj2B1 GLY 1176 HA2 -0.10 0.05 0.27 -0.51 4.01 3.72 1pj2B1 GLY 1176 HA3 -0.07 -0.12 0.15 -0.51 4.01 3.46 1pj2B1 GLY 1178 HA2 -0.05 0.02 0.28 -0.51 4.01 3.75 1pj2B1 GLY 1178 HA3 -0.30 0.05 0.11 -0.51 4.01 3.36 1pj2B1 ILE 1179 H -0.14 0.60 0.30 -0.55 8.25 8.47 1pj2B1 ILE 1179 HA -0.01 0.02 0.44 -0.75 4.18 3.89 1pj2B1 ILE 1179 HB -0.09 0.17 0.17 -0.04 1.89 2.10 1pj2B1 ILE 1179 HG12 -0.09 0.19 -0.04 -0.04 1.49 1.50 1pj2B1 ILE 1179 HG13 -0.06 -0.17 -0.00 -0.04 1.21 0.93 1pj2B1 ILE 1179 HG23 -0.03 -0.05 -0.17 -0.04 0.93 0.64 1pj2B1 ILE 1179 HD13 -0.05 -0.01 -0.19 -0.04 0.88 0.59 1pj2B1 PRO 1180 HA -0.14 -0.01 0.37 -0.51 4.44 4.16 1pj2B1 PRO 1180 HB2 -0.18 0.07 -0.10 -0.04 2.28 2.04 1pj2B1 PRO 1180 HB3 -0.20 0.19 0.02 -0.04 2.02 1.99 1pj2B1 PRO 1180 HG2 -0.18 0.14 -0.06 -0.04 2.03 1.88 1pj2B1 PRO 1180 HG3 -0.15 -0.08 -0.14 -0.04 2.03 1.62 1pj2B1 PRO 1180 HD2 -0.13 0.25 -0.13 -0.04 3.68 3.63 1pj2B1 PRO 1180 HD3 -0.12 0.10 0.19 -0.04 3.65 3.78 1pj2B1 VAL 1181 H -0.05 0.18 -0.50 -0.55 8.24 7.32 1pj2B1 VAL 1181 HA -0.04 0.07 0.35 -0.75 4.13 3.76 1pj2B1 VAL 1181 HB 0.07 0.07 0.02 -0.04 2.12 2.24 1pj2B1 VAL 1181 HG13 0.06 0.02 -0.18 -0.04 0.97 0.83 1pj2B1 VAL 1181 HG23 0.03 0.01 -0.11 -0.04 0.95 0.83 1pj2B1 GLY 1182 H 0.07 0.61 -0.09 -0.55 8.43 8.47 1pj2B1 GLY 1182 HA2 0.16 0.07 0.35 -0.51 4.01 4.08 1pj2B1 GLY 1182 HA3 0.18 0.05 0.33 -0.51 4.01 4.07 1pj2B1 LYS 1183 H 0.03 0.64 -0.23 -0.55 8.42 8.31 1pj2B1 LYS 1183 HA 0.13 -0.04 0.35 -0.75 4.32 4.00 1pj2B1 LYS 1183 HB2 -0.13 0.13 0.09 -0.04 1.87 1.91 1pj2B1 LYS 1183 HB3 -0.25 -0.06 -0.09 -0.04 1.79 1.36 1pj2B1 LYS 1183 HG2 0.04 0.15 0.00 -0.04 1.46 1.61 1pj2B1 LYS 1183 HG3 -0.12 -0.10 -0.13 -0.04 1.46 1.07 1pj2B1 LYS 1183 HD2 -0.60 -0.03 -0.08 -0.04 1.69 0.94 1pj2B1 LYS 1183 HD3 0.01 0.02 -0.05 -0.04 1.68 1.62 1pj2B1 LYS 1183 HE2 0.21 0.03 -0.06 -0.04 2.99 3.12 1pj2B1 LYS 1183 HE3 -0.00 -0.08 -0.07 -0.04 2.99 2.79 1pj2B1 LEU 1184 H -0.08 0.58 -0.19 -0.55 8.37 8.14 1pj2B1 LEU 1184 HA -0.29 -0.01 0.40 -0.75 4.35 3.70 1pj2B1 LEU 1184 HB2 -0.11 0.15 0.09 -0.04 1.64 1.73 1pj2B1 LEU 1184 HB3 -0.17 0.02 -0.05 -0.04 1.64 1.40 1pj2B1 LEU 1184 HG -0.34 0.03 -0.00 -0.04 1.64 1.29 1pj2B1 LEU 1184 HD13 -0.26 0.01 -0.33 -0.04 0.93 0.31 1pj2B1 LEU 1184 HD23 -0.87 -0.02 -0.15 -0.04 0.89 -0.19 1pj2B1 CYS 1185 H 0.11 0.48 -0.26 -0.55 8.50 8.27 1pj2B1 CYS 1185 HA 0.40 0.07 0.37 -0.75 4.58 4.67 1pj2B1 CYS 1185 HB2 0.17 0.14 0.06 -0.04 2.97 3.30 1pj2B1 CYS 1185 HB3 0.26 -0.06 -0.00 -0.04 2.97 3.12 1pj2B1 LEU 1186 H 0.17 0.38 -0.40 -0.55 8.37 7.97 1pj2B1 LEU 1186 HA 0.06 0.00 0.47 -0.75 4.35 4.13 1pj2B1 LEU 1186 HB2 0.27 0.20 0.09 -0.04 1.64 2.16 1pj2B1 LEU 1186 HB3 -0.08 -0.05 0.02 -0.04 1.64 1.50 1pj2B1 LEU 1186 HG -0.01 0.21 0.00 -0.04 1.64 1.80 1pj2B1 LEU 1186 HD13 -0.64 -0.05 -0.05 -0.04 0.93 0.15 1pj2B1 LEU 1186 HD23 -0.11 -0.01 -0.10 -0.04 0.89 0.63 1pj2B1 TYR 1187 H 0.40 0.33 -0.28 -0.55 8.29 8.19 1pj2B1 TYR 1187 HA 0.08 -0.04 0.34 -0.75 4.56 4.20 1pj2B1 TYR 1187 HB2 0.02 0.33 0.16 -0.04 3.06 3.52 1pj2B1 TYR 1187 HB3 -0.02 0.04 -0.15 -0.04 2.98 2.80 1pj2B1 TYR 1187 HD2 0.13 0.11 -0.11 -0.04 7.15 7.23 1pj2B1 TYR 1187 HE2 -0.05 -0.04 -0.16 -0.04 6.85 6.56 1pj2B1 THR 1188 H 0.11 0.33 -0.39 -0.55 8.28 7.77 1pj2B1 THR 1188 HA -0.09 -0.05 0.61 -0.75 4.39 4.10 1pj2B1 THR 1188 HB -0.40 0.04 0.13 -0.04 4.32 4.05 1pj2B1 THR 1188 HG23 -0.99 -0.01 -0.17 -0.04 1.22 0.01 1pj2B1 ALA 1189 H 0.16 0.76 0.16 -0.55 8.40 8.94 1pj2B1 ALA 1189 HA 0.16 0.05 0.35 -0.75 4.34 4.15 1pj2B1 ALA 1189 HB3 0.09 -0.04 0.05 -0.04 1.41 1.47 1pj2B1 CYS 1190 H 0.00 0.51 -0.15 -0.55 8.50 8.31 1pj2B1 CYS 1190 HA -0.05 0.05 0.56 -0.75 4.58 4.39 1pj2B1 CYS 1190 HB2 -0.13 0.08 0.09 -0.04 2.97 2.96 1pj2B1 CYS 1190 HB3 -0.15 0.04 -0.05 -0.04 2.97 2.77 1pj2B1 ALA 1191 H -0.04 0.27 -0.12 -0.55 8.40 7.96 1pj2B1 ALA 1191 HA -0.05 0.19 0.81 -0.75 4.34 4.54 1pj2B1 ALA 1191 HB3 -0.09 -0.03 -0.10 -0.04 1.41 1.15 1pj2B1 GLY 1192 H 0.01 0.34 -0.23 -0.55 8.43 8.01 1pj2B1 GLY 1192 HA2 0.12 0.16 0.33 -0.51 4.01 4.11 1pj2B1 GLY 1192 HA3 0.06 -0.00 0.41 -0.51 4.01 3.96 1pj2B1 ILE 1193 H -0.01 0.35 -0.06 -0.55 8.25 7.97 1pj2B1 ILE 1193 HA -0.02 0.15 0.65 -0.75 4.18 4.20 1pj2B1 ILE 1193 HB 0.09 -0.11 -0.28 -0.04 1.89 1.55 1pj2B1 ILE 1193 HG12 -0.00 0.06 -0.10 -0.04 1.49 1.40 1pj2B1 ILE 1193 HG13 -0.03 0.07 -0.21 -0.04 1.21 1.01 1pj2B1 ILE 1193 HG23 0.07 0.01 -0.27 -0.04 0.93 0.70 1pj2B1 ILE 1193 HD13 -0.07 -0.05 -0.12 -0.04 0.88 0.59 1pj2B1 ARG 1194 H -0.08 0.20 0.12 -0.55 8.46 8.14 1pj2B1 ARG 1194 HA -0.71 0.10 0.33 -0.75 4.34 3.31 1pj2B1 ARG 1194 HB2 -0.13 0.01 0.14 -0.04 1.90 1.87 1pj2B1 ARG 1194 HB3 -0.23 -0.10 0.01 -0.04 1.80 1.44 1pj2B1 ARG 1194 HG2 0.09 0.00 0.06 -0.04 1.67 1.78 1pj2B1 ARG 1194 HG3 0.03 0.11 0.12 -0.04 1.67 1.88 1pj2B1 ARG 1194 HD2 0.10 0.07 0.02 -0.04 3.22 3.36 1pj2B1 ARG 1194 HD3 -0.00 0.02 0.04 -0.04 3.22 3.24 1pj2B1 PRO 1195 HA -0.31 0.09 0.40 -0.51 4.44 4.11 1pj2B1 PRO 1195 HB2 -0.38 0.00 0.05 -0.04 2.28 1.91 1pj2B1 PRO 1195 HB3 -0.27 0.03 0.06 -0.04 2.02 1.79 1pj2B1 PRO 1195 HG2 -1.63 0.05 0.02 -0.04 2.03 0.43 1pj2B1 PRO 1195 HG3 -1.34 0.06 0.05 -0.04 2.03 0.77 1pj2B1 PRO 1195 HD2 -1.49 0.07 0.17 -0.04 3.68 2.38 1pj2B1 PRO 1195 HD3 -1.92 0.19 0.14 -0.04 3.65 2.01 1pj2B1 ASP 1196 H -0.25 0.14 -0.10 -0.55 8.40 7.64 1pj2B1 ASP 1196 HA -0.02 0.12 0.45 -0.75 4.63 4.43 1pj2B1 ASP 1196 HB2 0.01 -0.02 0.06 -0.04 2.71 2.71 1pj2B1 ASP 1196 HB3 -0.03 0.00 0.08 -0.04 2.70 2.71 1pj2B1 ARG 1197 H -0.16 0.18 -0.65 -0.55 8.46 7.28 1pj2B1 ARG 1197 HA -0.11 0.20 0.57 -0.75 4.34 4.25 1pj2B1 ARG 1197 HB2 -0.13 0.19 0.05 -0.04 1.90 1.96 1pj2B1 ARG 1197 HB3 -0.16 -0.10 0.22 -0.04 1.80 1.72 1pj2B1 ARG 1197 HG2 -0.10 -0.17 -0.07 -0.04 1.67 1.28 1pj2B1 ARG 1197 HG3 -0.11 -0.03 0.04 -0.04 1.67 1.53 1pj2B1 ARG 1197 HD2 -0.33 0.01 0.07 -0.04 3.22 2.93 1pj2B1 ARG 1197 HD3 -0.10 0.24 0.05 -0.04 3.22 3.37 1pj2B1 CYS 1198 H -0.11 0.46 -0.46 -0.55 8.50 7.84 1pj2B1 CYS 1198 HA -0.20 0.23 1.03 -0.75 4.58 4.89 1pj2B1 CYS 1198 HB2 -0.15 0.12 0.08 -0.04 2.97 2.99 1pj2B1 CYS 1198 HB3 -0.25 -0.13 -0.05 -0.04 2.97 2.50 1pj2B1 LEU 1199 H -0.30 0.49 0.29 -0.55 8.37 8.30 1pj2B1 LEU 1199 HA -0.40 0.22 0.95 -0.75 4.35 4.36 1pj2B1 LEU 1199 HB2 -0.60 0.10 -0.22 -0.04 1.64 0.88 1pj2B1 LEU 1199 HB3 -0.43 -0.01 0.04 -0.04 1.64 1.20 1pj2B1 LEU 1199 HG -0.57 -0.10 -0.30 -0.04 1.64 0.64 1pj2B1 LEU 1199 HD13 -2.01 0.01 0.02 -0.04 0.93 -1.10 1pj2B1 LEU 1199 HD23 -0.51 0.00 -0.10 -0.04 0.89 0.25 1pj2B1 PRO 1200 HA -0.28 0.17 0.76 -0.51 4.44 4.59 1pj2B1 PRO 1200 HB2 -0.20 -0.02 -0.21 -0.04 2.28 1.81 1pj2B1 PRO 1200 HB3 -0.18 0.07 -0.26 -0.04 2.02 1.61 1pj2B1 PRO 1200 HG2 -0.21 -0.08 0.07 -0.04 2.03 1.78 1pj2B1 PRO 1200 HG3 -0.08 0.06 -0.07 -0.04 2.03 1.90 1pj2B1 PRO 1200 HD2 -0.28 0.13 0.25 -0.04 3.68 3.75 1pj2B1 PRO 1200 HD3 -0.17 0.18 -0.03 -0.04 3.65 3.59 1pj2B1 VAL 1201 H -0.28 0.66 0.50 -0.55 8.24 8.57 1pj2B1 VAL 1201 HA -0.37 0.37 1.15 -0.75 4.13 4.53 1pj2B1 VAL 1201 HB -0.32 -0.11 0.02 -0.04 2.12 1.67 1pj2B1 VAL 1201 HG13 -0.42 -0.02 -0.21 -0.04 0.97 0.28 1pj2B1 VAL 1201 HG23 -0.19 0.04 -0.30 -0.04 0.95 0.45 1pj2B1 CYS 1202 H -0.37 0.73 0.34 -0.55 8.50 8.65 1pj2B1 CYS 1202 HA -0.24 0.16 1.10 -0.75 4.58 4.84 1pj2B1 CYS 1202 HB2 -0.24 0.05 -0.13 -0.04 2.97 2.62 1pj2B1 CYS 1202 HB3 -0.25 0.04 0.10 -0.04 2.97 2.82 1pj2B1 ILE 1203 H -0.23 0.67 0.37 -0.55 8.25 8.51 1pj2B1 ILE 1203 HA -0.15 0.31 0.86 -0.75 4.18 4.44 1pj2B1 ILE 1203 HB -0.17 -0.11 0.20 -0.04 1.89 1.77 1pj2B1 ILE 1203 HG12 -0.43 0.04 -0.07 -0.04 1.49 1.00 1pj2B1 ILE 1203 HG13 -0.36 -0.05 -0.08 -0.04 1.21 0.68 1pj2B1 ILE 1203 HG23 -0.12 -0.02 -0.15 -0.04 0.93 0.59 1pj2B1 ILE 1203 HD13 -0.66 0.03 -0.13 -0.04 0.88 0.07 1pj2B1 ASP 1204 H -0.01 0.59 0.19 -0.55 8.40 8.62 1pj2B1 ASP 1204 HA 0.01 0.20 1.03 -0.75 4.63 5.11 1pj2B1 ASP 1204 HB2 0.03 0.11 -0.05 -0.04 2.71 2.75 1pj2B1 ASP 1204 HB3 0.02 0.04 0.11 -0.04 2.70 2.82 1pj2B1 VAL 1205 H 0.06 0.34 0.17 -0.55 8.24 8.27 1pj2B1 VAL 1205 HA 0.07 0.06 1.00 -0.75 4.13 4.51 1pj2B1 VAL 1205 HB 0.17 -0.06 0.29 -0.04 2.12 2.47 1pj2B1 VAL 1205 HG13 0.19 0.01 -0.09 -0.04 0.97 1.04 1pj2B1 VAL 1205 HG23 0.21 0.02 0.04 -0.04 0.95 1.18 1pj2B1 GLY 1206 H 0.04 0.00 -0.16 -0.55 8.43 7.77 1pj2B1 GLY 1206 HA2 0.04 0.19 0.28 -0.51 4.01 4.01 1pj2B1 GLY 1206 HA3 0.03 0.30 0.44 -0.51 4.01 4.27 1pj2B1 THR 1207 H -0.02 0.84 0.34 -0.55 8.28 8.89 1pj2B1 THR 1207 HA -0.04 0.07 0.73 -0.75 4.39 4.40 1pj2B1 THR 1207 HB -0.03 0.03 -0.09 -0.04 4.32 4.18 1pj2B1 THR 1207 HG23 -0.31 0.06 -0.11 -0.04 1.22 0.82 1pj2B1 ASP 1208 H -0.05 0.15 0.19 -0.55 8.40 8.14 1pj2B1 ASP 1208 HA -0.04 0.21 0.73 -0.75 4.63 4.77 1pj2B1 ASP 1208 HB2 -0.04 -0.00 0.16 -0.04 2.71 2.78 1pj2B1 ASP 1208 HB3 -0.03 0.06 0.18 -0.04 2.70 2.86 1pj2B1 ASN 1209 H -0.10 0.02 -0.19 -0.55 8.53 7.71 1pj2B1 ASN 1209 HA -0.07 0.06 0.50 -0.75 4.76 4.51 1pj2B1 ASN 1209 HB2 -0.10 0.21 0.18 -0.04 2.88 3.13 1pj2B1 ASN 1209 HB3 -0.20 -0.05 0.15 -0.04 2.79 2.64 1pj2B1 ASN 1209 HD21 -0.03 -0.00 0.07 -0.04 7.03 7.03 1pj2B1 ASN 1209 HD22 -0.06 0.80 0.29 -0.04 7.74 8.74 1pj2B1 ILE 1210 H -0.05 0.00 0.35 -0.55 8.25 8.00 1pj2B1 ILE 1210 HA -0.05 0.08 0.24 -0.75 4.18 3.70 1pj2B1 ILE 1210 HB -0.03 -0.03 0.08 -0.04 1.89 1.87 1pj2B1 ILE 1210 HG12 -0.02 -0.00 0.09 -0.04 1.49 1.52 1pj2B1 ILE 1210 HG13 -0.03 0.05 0.14 -0.04 1.21 1.33 1pj2B1 ILE 1210 HG23 -0.02 0.01 -0.03 -0.04 0.93 0.86 1pj2B1 ILE 1210 HD13 -0.03 -0.01 0.24 -0.04 0.88 1.04 1pj2B1 ALA 1211 H -0.05 0.03 -0.25 -0.55 8.40 7.59 1pj2B1 ALA 1211 HA -0.02 0.13 0.42 -0.75 4.34 4.11 1pj2B1 ALA 1211 HB3 -0.01 0.01 0.05 -0.04 1.41 1.42 1pj2B1 LEU 1212 H -0.14 0.08 -0.10 -0.55 8.37 7.65 1pj2B1 LEU 1212 HA -0.17 0.06 0.40 -0.75 4.35 3.88 1pj2B1 LEU 1212 HB2 -0.51 0.04 0.06 -0.04 1.64 1.19 1pj2B1 LEU 1212 HB3 -1.08 0.04 -0.01 -0.04 1.64 0.55 1pj2B1 LEU 1212 HG -0.18 -0.09 0.09 -0.04 1.64 1.42 1pj2B1 LEU 1212 HD13 -0.30 -0.01 -0.02 -0.04 0.93 0.56 1pj2B1 LEU 1212 HD23 -0.22 0.02 0.02 -0.04 0.89 0.66 1pj2B1 LEU 1213 H -0.18 0.36 -0.39 -0.55 8.37 7.62 1pj2B1 LEU 1213 HA 0.03 0.04 0.24 -0.75 4.35 3.91 1pj2B1 LEU 1213 HB2 -0.04 0.14 -0.04 -0.04 1.64 1.66 1pj2B1 LEU 1213 HB3 0.04 -0.04 0.02 -0.04 1.64 1.62 1pj2B1 LEU 1213 HG -0.15 0.05 -0.19 -0.04 1.64 1.30 1pj2B1 LEU 1213 HD13 -0.03 -0.00 -0.16 -0.04 0.93 0.70 1pj2B1 LEU 1213 HD23 -0.05 0.03 -0.09 -0.04 0.89 0.73 1pj2B1 LYS 1214 H -0.02 0.45 -0.78 -0.55 8.42 7.52 1pj2B1 LYS 1214 HA -0.01 0.14 0.87 -0.75 4.32 4.57 1pj2B1 LYS 1214 HB2 -0.00 0.08 0.10 -0.04 1.87 2.00 1pj2B1 LYS 1214 HB3 -0.01 -0.09 0.11 -0.04 1.79 1.76 1pj2B1 LYS 1214 HG2 -0.02 -0.01 -0.06 -0.04 1.46 1.32 1pj2B1 LYS 1214 HG3 -0.02 0.17 -0.11 -0.04 1.46 1.46 1pj2B1 LYS 1214 HD2 -0.01 -0.04 -0.03 -0.04 1.69 1.57 1pj2B1 LYS 1214 HD3 -0.01 -0.03 -0.00 -0.04 1.68 1.59 1pj2B1 LYS 1214 HE2 -0.02 0.00 -0.06 -0.04 2.99 2.88 1pj2B1 LYS 1214 HE3 -0.01 -0.06 -0.03 -0.04 2.99 2.85 1pj2B1 ASP 1215 H 0.06 0.39 0.02 -0.55 8.40 8.32 1pj2B1 ASP 1215 HA 0.04 0.10 0.64 -0.75 4.63 4.66 1pj2B1 ASP 1215 HB2 0.13 -0.01 0.07 -0.04 2.71 2.85 1pj2B1 ASP 1215 HB3 0.11 0.10 0.24 -0.04 2.70 3.11 1pj2B1 PRO 1216 HA -0.06 0.13 0.44 -0.51 4.44 4.44 1pj2B1 PRO 1216 HB2 -0.72 0.03 -0.01 -0.04 2.28 1.54 1pj2B1 PRO 1216 HB3 -0.25 0.01 0.12 -0.04 2.02 1.85 1pj2B1 PRO 1216 HG2 -0.27 -0.01 0.09 -0.04 2.03 1.81 1pj2B1 PRO 1216 HG3 -0.16 0.09 0.09 -0.04 2.03 2.01 1pj2B1 PRO 1216 HD2 -0.28 0.05 0.20 -0.04 3.68 3.61 1pj2B1 PRO 1216 HD3 -0.07 0.23 0.37 -0.04 3.65 4.13 1pj2B1 PHE 1217 H 0.02 -0.03 -0.40 -0.55 8.34 7.38 1pj2B1 PHE 1217 HA 0.02 0.26 0.81 -0.75 4.62 4.95 1pj2B1 PHE 1217 HB2 -0.09 -0.13 -0.10 -0.04 3.15 2.80 1pj2B1 PHE 1217 HB3 -0.08 0.23 0.06 -0.04 3.06 3.23 1pj2B1 PHE 1217 HD2 -0.24 0.02 -0.04 -0.04 7.28 6.98 1pj2B1 PHE 1217 HE2 -0.04 -0.02 -0.02 -0.04 7.38 7.26 1pj2B1 PHE 1217 HZ -0.02 -0.04 -0.01 -0.04 7.32 7.21 1pj2B1 TYR 1218 H 0.31 0.29 -0.37 -0.55 8.29 7.97 1pj2B1 TYR 1218 HA 0.04 -0.04 0.22 -0.75 4.56 4.02 1pj2B1 TYR 1218 HB2 -0.09 0.06 0.09 -0.04 3.06 3.08 1pj2B1 TYR 1218 HB3 -0.26 0.09 -0.10 -0.04 2.98 2.68 1pj2B1 TYR 1218 HD2 -1.02 0.02 -0.20 -0.04 7.15 5.91 1pj2B1 TYR 1218 HE2 -0.37 -0.01 -0.17 -0.04 6.85 6.26 1pj2B1 GLY 1220 HA2 -0.38 -0.02 0.20 -0.51 4.01 3.29 1pj2B1 GLY 1220 HA3 -0.61 -0.20 0.21 -0.51 4.01 2.90 1pj2B1 LEU 1221 H -0.08 -0.06 0.06 -0.55 8.37 7.74 1pj2B1 LEU 1221 HA -0.05 0.14 0.49 -0.75 4.35 4.18 1pj2B1 LEU 1221 HB2 -0.01 -0.09 0.09 -0.04 1.64 1.59 1pj2B1 LEU 1221 HB3 0.03 -0.03 -0.12 -0.04 1.64 1.47 1pj2B1 LEU 1221 HG 0.04 0.06 -0.07 -0.04 1.64 1.62 1pj2B1 LEU 1221 HD13 -0.00 0.03 -0.03 -0.04 0.93 0.89 1pj2B1 LEU 1221 HD23 0.02 -0.02 -0.04 -0.04 0.89 0.82 1pj2B1 TYR 1222 H 0.18 0.17 0.09 -0.55 8.29 8.19 1pj2B1 TYR 1222 HA 0.08 0.11 0.60 -0.75 4.56 4.59 1pj2B1 TYR 1222 HB2 0.02 -0.05 0.21 -0.04 3.06 3.20 1pj2B1 TYR 1222 HB3 0.01 0.02 0.09 -0.04 2.98 3.05 1pj2B1 TYR 1222 HD2 0.01 -0.06 0.03 -0.04 7.15 7.09 1pj2B1 TYR 1222 HE2 0.02 0.08 -0.08 -0.04 6.85 6.83 1pj2B1 GLN 1223 H 0.05 0.47 0.24 -0.55 8.47 8.68 1pj2B1 GLN 1223 HA 0.05 0.06 0.45 -0.75 4.36 4.17 1pj2B1 GLN 1223 HB2 0.04 -0.03 0.08 -0.04 2.15 2.19 1pj2B1 GLN 1223 HB3 0.06 0.12 -0.25 -0.04 2.02 1.90 1pj2B1 GLN 1223 HG2 0.04 -0.09 -0.33 -0.04 2.40 1.98 1pj2B1 GLN 1223 HG3 0.03 0.15 -0.39 -0.04 2.39 2.14 1pj2B1 GLN 1223 HE21 0.05 -0.12 -0.08 -0.04 6.97 6.77 1pj2B1 GLN 1223 HE22 0.04 0.30 -0.11 -0.04 7.69 7.88 1pj2B1 LYS 1224 H 0.01 0.10 0.12 -0.55 8.42 8.10 1pj2B1 LYS 1224 HA -0.02 0.34 0.47 -0.75 4.32 4.36 1pj2B1 LYS 1224 HB2 -0.00 0.02 0.04 -0.04 1.87 1.89 1pj2B1 LYS 1224 HB3 -0.01 -0.08 0.06 -0.04 1.79 1.71 1pj2B1 LYS 1224 HG2 -0.02 0.10 0.00 -0.04 1.46 1.51 1pj2B1 LYS 1224 HG3 -0.00 -0.00 0.05 -0.04 1.46 1.47 1pj2B1 LYS 1224 HD2 -0.01 -0.01 0.03 -0.04 1.69 1.66 1pj2B1 LYS 1224 HD3 -0.02 -0.04 0.05 -0.04 1.68 1.64 1pj2B1 LYS 1224 HE2 -0.01 0.01 0.01 -0.04 2.99 2.97 1pj2B1 LYS 1224 HE3 -0.01 -0.01 0.03 -0.04 2.99 2.95 1pj2B1 ARG 1225 H -0.02 -0.02 -0.15 -0.55 8.46 7.72 1pj2B1 ARG 1225 HA 0.01 0.26 0.17 -0.75 4.34 4.03 1pj2B1 ARG 1225 HB2 -0.04 -0.05 -0.01 -0.04 1.90 1.76 1pj2B1 ARG 1225 HB3 -0.06 0.03 -0.15 -0.04 1.80 1.58 1pj2B1 ARG 1225 HG2 -0.01 0.30 -0.29 -0.04 1.67 1.63 1pj2B1 ARG 1225 HG3 -0.03 -0.22 -0.09 -0.04 1.67 1.29 1pj2B1 ARG 1225 HD2 -0.05 -0.04 0.03 -0.04 3.22 3.13 1pj2B1 ARG 1225 HD3 -0.06 0.01 -0.01 -0.04 3.22 3.11 1pj2B1 ASP 1226 H 0.05 0.34 0.21 -0.55 8.40 8.44 1pj2B1 ASP 1226 HA 0.04 0.09 0.73 -0.75 4.63 4.73 1pj2B1 ASP 1226 HB2 0.07 0.18 0.16 -0.04 2.71 3.08 1pj2B1 ASP 1226 HB3 0.14 -0.04 0.28 -0.04 2.70 3.03 1pj2B1 ARG 1227 H 0.00 0.25 0.10 -0.55 8.46 8.27 1pj2B1 ARG 1227 HA -0.12 0.19 0.84 -0.75 4.34 4.50 1pj2B1 ARG 1227 HB2 -0.03 0.04 0.05 -0.04 1.90 1.92 1pj2B1 ARG 1227 HB3 -0.06 -0.01 0.16 -0.04 1.80 1.85 1pj2B1 ARG 1227 HG2 -0.13 -0.04 -0.10 -0.04 1.67 1.36 1pj2B1 ARG 1227 HG3 -0.08 -0.03 -0.46 -0.04 1.67 1.06 1pj2B1 ARG 1227 HD2 -0.03 0.07 -0.03 -0.04 3.22 3.19 1pj2B1 ARG 1227 HD3 -0.05 -0.02 -0.01 -0.04 3.22 3.10 1pj2B1 THR 1228 H 0.08 0.02 -0.18 -0.55 8.28 7.64 1pj2B1 THR 1228 HA 0.06 0.24 0.56 -0.75 4.39 4.50 1pj2B1 THR 1228 HB 0.06 0.02 0.20 -0.04 4.32 4.56 1pj2B1 THR 1228 HG23 0.04 0.03 0.05 -0.04 1.22 1.30 1pj2B1 GLN 1229 H 0.08 0.23 0.16 -0.55 8.47 8.39 1pj2B1 GLN 1229 HA 0.13 0.11 0.41 -0.75 4.36 4.27 1pj2B1 GLN 1229 HB2 0.07 0.06 0.13 -0.04 2.15 2.37 1pj2B1 GLN 1229 HB3 0.07 0.02 0.07 -0.04 2.02 2.14 1pj2B1 GLN 1229 HG2 0.06 0.07 -0.00 -0.04 2.40 2.49 1pj2B1 GLN 1229 HG3 0.08 -0.03 -0.06 -0.04 2.39 2.34 1pj2B1 GLN 1229 HE21 0.09 0.05 -0.02 -0.04 6.97 7.05 1pj2B1 GLN 1229 HE22 0.07 0.04 -0.02 -0.04 7.69 7.75 1pj2B1 GLN 1230 H 0.10 0.03 -0.37 -0.55 8.47 7.69 1pj2B1 GLN 1230 HA 0.08 0.12 0.39 -0.75 4.36 4.20 1pj2B1 GLN 1230 HB2 0.09 -0.08 0.01 -0.04 2.15 2.14 1pj2B1 GLN 1230 HB3 0.08 0.09 -0.03 -0.04 2.02 2.12 1pj2B1 GLN 1230 HG2 0.05 0.07 0.01 -0.04 2.40 2.49 1pj2B1 GLN 1230 HG3 0.06 -0.07 0.00 -0.04 2.39 2.34 1pj2B1 GLN 1230 HE21 0.04 0.05 -0.01 -0.04 6.97 7.01 1pj2B1 GLN 1230 HE22 0.04 0.01 -0.01 -0.04 7.69 7.69 1pj2B1 TYR 1231 H 0.25 0.23 -0.33 -0.55 8.29 7.89 1pj2B1 TYR 1231 HA 0.09 0.05 0.41 -0.75 4.56 4.36 1pj2B1 TYR 1231 HB2 0.10 0.26 0.13 -0.04 3.06 3.51 1pj2B1 TYR 1231 HB3 0.14 0.14 0.04 -0.04 2.98 3.26 1pj2B1 TYR 1231 HD2 0.20 0.01 -0.06 -0.04 7.15 7.26 1pj2B1 TYR 1231 HE2 0.38 -0.02 -0.04 -0.04 6.85 7.13 1pj2B1 ASP 1232 H 0.32 0.23 -0.21 -0.55 8.40 8.20 1pj2B1 ASP 1232 HA 0.32 0.02 0.33 -0.75 4.63 4.54 1pj2B1 ASP 1232 HB2 0.21 0.01 0.16 -0.04 2.71 3.04 1pj2B1 ASP 1232 HB3 0.19 0.06 -0.08 -0.04 2.70 2.83 1pj2B1 ASP 1233 H 0.11 0.56 -0.15 -0.55 8.40 8.38 1pj2B1 ASP 1233 HA 0.08 0.08 0.47 -0.75 4.63 4.50 1pj2B1 ASP 1233 HB2 0.06 0.01 0.10 -0.04 2.71 2.84 1pj2B1 ASP 1233 HB3 0.05 -0.01 0.03 -0.04 2.70 2.72 1pj2B1 LEU 1234 H 0.01 0.57 -0.22 -0.55 8.37 8.19 1pj2B1 LEU 1234 HA 0.00 -0.04 0.39 -0.75 4.35 3.95 1pj2B1 LEU 1234 HB2 0.00 0.07 0.14 -0.04 1.64 1.81 1pj2B1 LEU 1234 HB3 -0.12 0.11 0.14 -0.04 1.64 1.73 1pj2B1 LEU 1234 HG -0.05 0.01 -0.23 -0.04 1.64 1.33 1pj2B1 LEU 1234 HD13 0.02 0.00 -0.12 -0.04 0.93 0.79 1pj2B1 LEU 1234 HD23 -0.03 -0.02 -0.24 -0.04 0.89 0.56 1pj2B1 ILE 1235 H -0.16 0.53 -0.15 -0.55 8.25 7.93 1pj2B1 ILE 1235 HA -0.13 -0.01 0.30 -0.75 4.18 3.59 1pj2B1 ILE 1235 HB -0.21 0.16 0.08 -0.04 1.89 1.88 1pj2B1 ILE 1235 HG12 -0.60 0.23 0.04 -0.04 1.49 1.12 1pj2B1 ILE 1235 HG13 -0.62 -0.11 -0.06 -0.04 1.21 0.38 1pj2B1 ILE 1235 HG23 -0.57 -0.01 -0.13 -0.04 0.93 0.18 1pj2B1 ILE 1235 HD13 -0.26 -0.02 -0.08 -0.04 0.88 0.48 1pj2B1 ASP 1236 H 0.03 0.30 -0.34 -0.55 8.40 7.84 1pj2B1 ASP 1236 HA 0.10 0.05 0.38 -0.75 4.63 4.41 1pj2B1 ASP 1236 HB2 0.12 0.03 0.17 -0.04 2.71 2.99 1pj2B1 ASP 1236 HB3 0.07 0.03 0.09 -0.04 2.70 2.85 1pj2B1 GLU 1237 H 0.02 0.70 -0.04 -0.55 8.60 8.74 1pj2B1 GLU 1237 HA -0.00 0.00 0.35 -0.75 4.29 3.88 1pj2B1 GLU 1237 HB2 0.01 0.14 0.20 -0.04 2.09 2.40 1pj2B1 GLU 1237 HB3 0.02 -0.00 0.01 -0.04 1.99 1.97 1pj2B1 GLU 1237 HG2 -0.01 0.01 0.03 -0.04 2.34 2.33 1pj2B1 GLU 1237 HG3 -0.00 0.04 0.05 -0.04 2.34 2.38 1pj2B1 PHE 1238 H 0.08 0.52 -0.32 -0.55 8.34 8.05 1pj2B1 PHE 1238 HA -0.12 -0.05 0.22 -0.75 4.62 3.92 1pj2B1 PHE 1238 HB2 -0.14 -0.09 -0.02 -0.04 3.15 2.86 1pj2B1 PHE 1238 HB3 -0.20 0.15 0.09 -0.04 3.06 3.05 1pj2B1 PHE 1238 HD2 -0.25 0.04 -0.04 -0.04 7.28 7.00 1pj2B1 PHE 1238 HE2 -0.36 0.01 -0.12 -0.04 7.38 6.87 1pj2B1 PHE 1238 HZ -0.32 0.02 -0.15 -0.04 7.32 6.83 1pj2B1 LYS 1240 HA -0.02 -0.06 0.30 -0.75 4.32 3.78 1pj2B1 LYS 1240 HB2 0.01 0.08 0.09 -0.04 1.87 2.02 1pj2B1 LYS 1240 HB3 -0.03 -0.00 0.03 -0.04 1.79 1.74 1pj2B1 LYS 1240 HG2 -0.00 -0.02 -0.09 -0.04 1.46 1.30 1pj2B1 LYS 1240 HG3 0.05 0.01 0.03 -0.04 1.46 1.51 1pj2B1 LYS 1240 HD2 0.04 -0.01 -0.03 -0.04 1.69 1.66 1pj2B1 LYS 1240 HD3 0.01 -0.05 -0.04 -0.04 1.68 1.56 1pj2B1 LYS 1240 HE2 0.03 0.02 -0.01 -0.04 2.99 2.99 1pj2B1 LYS 1240 HE3 0.02 -0.04 -0.02 -0.04 2.99 2.91 1pj2B1 ALA 1241 H -0.15 0.69 -0.56 -0.55 8.40 7.82 1pj2B1 ALA 1241 HA -0.09 -0.03 0.36 -0.75 4.34 3.83 1pj2B1 ALA 1241 HB3 -0.09 -0.02 -0.03 -0.04 1.41 1.23 1pj2B1 ILE 1242 H -0.40 0.58 0.12 -0.55 8.25 8.00 1pj2B1 ILE 1242 HA -0.10 0.05 0.34 -0.75 4.18 3.72 1pj2B1 ILE 1242 HB -0.64 0.06 0.04 -0.04 1.89 1.31 1pj2B1 ILE 1242 HG12 -0.71 -0.06 -0.07 -0.04 1.49 0.61 1pj2B1 ILE 1242 HG13 -0.19 0.02 -0.05 -0.04 1.21 0.95 1pj2B1 ILE 1242 HG23 -0.17 0.02 -0.34 -0.04 0.93 0.39 1pj2B1 ILE 1242 HD13 -0.51 0.07 0.00 -0.04 0.88 0.40 1pj2B1 THR 1243 H -0.24 0.14 -0.27 -0.55 8.28 7.36 1pj2B1 THR 1243 HA -0.03 0.28 0.23 -0.75 4.39 4.12 1pj2B1 THR 1243 HB -0.06 0.03 -0.01 -0.04 4.32 4.24 1pj2B1 THR 1243 HG23 0.01 -0.01 0.02 -0.04 1.22 1.20 1pj2B1 ASP 1244 H -0.07 0.60 -0.17 -0.55 8.40 8.22 1pj2B1 ASP 1244 HA -0.03 -0.03 0.34 -0.75 4.63 4.16 1pj2B1 ASP 1244 HB2 -0.07 0.12 0.14 -0.04 2.71 2.87 1pj2B1 ASP 1244 HB3 -0.05 -0.08 -0.01 -0.04 2.70 2.52 1pj2B1 ARG 1245 H -0.15 0.40 -0.29 -0.55 8.46 7.87 1pj2B1 ARG 1245 HA -0.18 0.09 0.73 -0.75 4.34 4.23 1pj2B1 ARG 1245 HB2 -0.25 -0.11 0.02 -0.04 1.90 1.53 1pj2B1 ARG 1245 HB3 -0.51 0.05 0.07 -0.04 1.80 1.37 1pj2B1 ARG 1245 HG2 -1.04 0.08 -0.28 -0.04 1.67 0.39 1pj2B1 ARG 1245 HG3 -0.33 -0.07 0.06 -0.04 1.67 1.29 1pj2B1 ARG 1245 HD2 -0.21 -0.12 -0.15 -0.04 3.22 2.70 1pj2B1 ARG 1245 HD3 -0.62 0.01 -0.14 -0.04 3.22 2.43 1pj2B1 TYR 1246 H -0.04 0.48 0.01 -0.55 8.29 8.19 1pj2B1 TYR 1246 HA 0.04 0.23 1.04 -0.75 4.56 5.12 1pj2B1 TYR 1246 HB2 -0.04 0.03 0.04 -0.04 3.06 3.06 1pj2B1 TYR 1246 HB3 0.03 0.19 0.18 -0.04 2.98 3.34 1pj2B1 TYR 1246 HD2 0.00 0.10 -0.01 -0.04 7.15 7.19 1pj2B1 TYR 1246 HE2 0.03 0.00 -0.10 -0.04 6.85 6.74 1pj2B1 GLY 1247 H 0.04 0.54 -0.04 -0.55 8.43 8.42 1pj2B1 GLY 1247 HA2 0.04 -0.05 0.39 -0.51 4.01 3.88 1pj2B1 GLY 1247 HA3 0.07 0.19 0.94 -0.51 4.01 4.71 1pj2B1 ARG 1248 H 0.03 0.15 0.14 -0.55 8.46 8.22 1pj2B1 ARG 1248 HA 0.08 0.06 0.50 -0.75 4.34 4.23 1pj2B1 ARG 1248 HB2 0.05 0.09 0.19 -0.04 1.90 2.19 1pj2B1 ARG 1248 HB3 0.06 -0.04 0.09 -0.04 1.80 1.86 1pj2B1 ARG 1248 HG2 0.00 -0.05 0.09 -0.04 1.67 1.66 1pj2B1 ARG 1248 HG3 -0.03 0.06 -0.02 -0.04 1.67 1.64 1pj2B1 ARG 1248 HD2 -0.00 -0.01 0.03 -0.04 3.22 3.20 1pj2B1 ARG 1248 HD3 0.01 -0.01 0.03 -0.04 3.22 3.21 1pj2B1 ASN 1249 H 0.03 -0.00 -0.67 -0.55 8.53 7.34 1pj2B1 ASN 1249 HA -0.01 0.18 0.63 -0.75 4.76 4.81 1pj2B1 ASN 1249 HB2 0.01 -0.11 -0.03 -0.04 2.88 2.70 1pj2B1 ASN 1249 HB3 0.04 0.04 -0.08 -0.04 2.79 2.75 1pj2B1 ASN 1249 HD21 0.04 0.36 -0.42 -0.04 7.03 6.96 1pj2B1 ASN 1249 HD22 -0.02 -0.14 -0.11 -0.04 7.74 7.43 1pj2B1 THR 1250 H 0.03 0.30 -0.28 -0.55 8.28 7.78 1pj2B1 THR 1250 HA 0.01 0.10 0.36 -0.75 4.39 4.10 1pj2B1 THR 1250 HB -0.03 -0.12 -0.13 -0.04 4.32 4.00 1pj2B1 THR 1250 HG23 -0.09 -0.03 -0.49 -0.04 1.22 0.57 1pj2B1 LEU 1251 H 0.02 0.50 0.32 -0.55 8.37 8.66 1pj2B1 LEU 1251 HA 0.10 0.37 0.58 -0.75 4.35 4.64 1pj2B1 LEU 1251 HB2 0.12 0.06 0.11 -0.04 1.64 1.89 1pj2B1 LEU 1251 HB3 0.09 0.10 0.33 -0.04 1.64 2.12 1pj2B1 LEU 1251 HG 0.19 -0.16 -0.25 -0.04 1.64 1.38 1pj2B1 LEU 1251 HD13 0.41 -0.01 -0.17 -0.04 0.93 1.12 1pj2B1 LEU 1251 HD23 0.27 -0.01 -0.03 -0.04 0.89 1.07 1pj2B1 ILE 1252 H 0.08 0.58 0.30 -0.55 8.25 8.65 1pj2B1 ILE 1252 HA -0.10 0.20 1.06 -0.75 4.18 4.59 1pj2B1 ILE 1252 HB 0.02 -0.08 0.05 -0.04 1.89 1.84 1pj2B1 ILE 1252 HG12 -0.19 0.00 -0.29 -0.04 1.49 0.97 1pj2B1 ILE 1252 HG13 -0.10 0.34 -0.37 -0.04 1.21 1.04 1pj2B1 ILE 1252 HG23 -0.23 -0.05 -0.23 -0.04 0.93 0.39 1pj2B1 ILE 1252 HD13 -0.40 -0.03 -0.18 -0.04 0.88 0.22 1pj2B1 GLN 1253 H -0.16 1.03 0.36 -0.55 8.47 9.15 1pj2B1 GLN 1253 HA -0.56 0.21 1.00 -0.75 4.36 4.25 1pj2B1 GLN 1253 HB2 -0.20 0.06 0.01 -0.04 2.15 1.98 1pj2B1 GLN 1253 HB3 -0.18 0.06 0.23 -0.04 2.02 2.10 1pj2B1 GLN 1253 HG2 -0.27 -0.10 -0.35 -0.04 2.40 1.64 1pj2B1 GLN 1253 HG3 -0.77 -0.06 -0.00 -0.04 2.39 1.52 1pj2B1 GLN 1253 HE21 -0.73 0.03 -0.10 -0.04 6.97 6.13 1pj2B1 GLN 1253 HE22 -0.26 -0.10 -0.13 -0.04 7.69 7.16 1pj2B1 PHE 1254 H -0.01 0.53 0.41 -0.55 8.34 8.71 1pj2B1 PHE 1254 HA -0.12 0.23 0.77 -0.75 4.62 4.74 1pj2B1 PHE 1254 HB2 -0.22 -0.06 0.17 -0.04 3.15 3.00 1pj2B1 PHE 1254 HB3 -0.31 -0.13 -0.01 -0.04 3.06 2.57 1pj2B1 PHE 1254 HD2 -0.95 -0.01 -0.09 -0.04 7.28 6.19 1pj2B1 PHE 1254 HE2 -0.49 0.03 -0.13 -0.04 7.38 6.76 1pj2B1 PHE 1254 HZ -0.37 0.08 -0.13 -0.04 7.32 6.86 1pj2B1 GLU 1255 H 0.18 0.82 0.43 -0.55 8.60 9.48 1pj2B1 GLU 1255 HA 0.06 -0.03 1.13 -0.75 4.29 4.70 1pj2B1 GLU 1255 HB2 -0.09 0.08 -0.20 -0.04 2.09 1.84 1pj2B1 GLU 1255 HB3 -0.05 0.08 -0.06 -0.04 1.99 1.91 1pj2B1 GLU 1255 HG2 -0.06 0.07 -0.16 -0.04 2.34 2.16 1pj2B1 GLU 1255 HG3 -0.01 -0.07 -0.08 -0.04 2.34 2.14 1pj2B1 ASP 1256 H 0.06 0.10 0.18 -0.55 8.40 8.19 1pj2B1 ASP 1256 HA 0.04 0.10 0.40 -0.75 4.63 4.41 1pj2B1 ASP 1256 HB2 -0.04 0.08 -0.14 -0.04 2.71 2.56 1pj2B1 ASP 1256 HB3 -0.04 0.04 -0.05 -0.04 2.70 2.61 1pj2B1 PHE 1257 H 0.32 0.06 -0.21 -0.55 8.34 7.95 1pj2B1 PHE 1257 HA 0.07 -0.03 0.70 -0.75 4.62 4.60 1pj2B1 PHE 1257 HB2 0.12 -0.02 -0.02 -0.04 3.15 3.19 1pj2B1 PHE 1257 HB3 0.16 0.02 -0.11 -0.04 3.06 3.08 1pj2B1 PHE 1257 HD2 0.27 -0.05 -0.11 -0.04 7.28 7.34 1pj2B1 PHE 1257 HE2 0.00 0.18 -0.18 -0.04 7.38 7.34 1pj2B1 PHE 1257 HZ -0.25 0.11 -0.21 -0.04 7.32 6.93 1pj2B1 GLY 1258 H 0.10 0.08 0.11 -0.55 8.43 8.18 1pj2B1 GLY 1258 HA2 0.05 0.14 0.27 -0.51 4.01 3.96 1pj2B1 GLY 1258 HA3 0.07 0.03 0.28 -0.51 4.01 3.88 1pj2B1 ASN 1259 H 0.06 0.18 0.13 -0.55 8.53 8.35 1pj2B1 ASN 1259 HA 0.07 0.08 0.36 -0.75 4.76 4.52 1pj2B1 ASN 1259 HB2 0.08 0.04 0.16 -0.04 2.88 3.11 1pj2B1 ASN 1259 HB3 0.10 -0.04 0.17 -0.04 2.79 2.98 1pj2B1 ASN 1259 HD21 0.16 0.12 -0.02 -0.04 7.03 7.25 1pj2B1 ASN 1259 HD22 0.12 -0.12 0.08 -0.04 7.74 7.77 1pj2B1 HIS 1260 H 0.17 0.10 -0.04 -0.55 8.41 8.10 1pj2B1 HIS 1260 HA 0.08 0.10 0.38 -0.75 4.63 4.43 1pj2B1 HIS 1260 HB2 0.01 0.04 0.10 -0.04 3.26 3.39 1pj2B1 HIS 1260 HB3 -0.01 -0.09 0.09 -0.04 3.20 3.16 1pj2B1 HIS 1260 HD2 -0.06 -0.01 -0.08 -0.04 6.97 6.78 1pj2B1 HIS 1260 HE1 -0.01 0.05 -0.02 -0.04 7.75 7.72 1pj2B1 ASN 1261 H 0.07 0.04 -0.20 -0.55 8.53 7.89 1pj2B1 ASN 1261 HA -0.56 0.07 0.32 -0.75 4.76 3.84 1pj2B1 ASN 1261 HB2 0.30 -0.04 -0.03 -0.04 2.88 3.07 1pj2B1 ASN 1261 HB3 0.36 0.07 -0.04 -0.04 2.79 3.14 1pj2B1 ASN 1261 HD21 -0.20 0.06 -0.01 -0.04 7.03 6.85 1pj2B1 ASN 1261 HD22 0.18 -0.06 0.00 -0.04 7.74 7.82 1pj2B1 ALA 1262 H 0.03 0.53 -0.38 -0.55 8.40 8.04 1pj2B1 ALA 1262 HA -0.07 -0.02 0.27 -0.75 4.34 3.76 1pj2B1 ALA 1262 HB3 -0.15 0.04 -0.02 -0.04 1.41 1.24 1pj2B1 PHE 1263 H -0.05 0.38 -0.14 -0.55 8.34 7.98 1pj2B1 PHE 1263 HA -0.22 0.07 0.51 -0.75 4.62 4.23 1pj2B1 PHE 1263 HB2 -0.25 0.07 0.17 -0.04 3.15 3.10 1pj2B1 PHE 1263 HB3 -0.38 0.02 -0.03 -0.04 3.06 2.63 1pj2B1 PHE 1263 HD2 -0.47 0.10 0.01 -0.04 7.28 6.88 1pj2B1 PHE 1263 HE2 -0.25 -0.01 -0.12 -0.04 7.38 6.95 1pj2B1 PHE 1263 HZ -0.21 0.12 -0.10 -0.04 7.32 7.09 1pj2B1 ARG 1264 H -0.16 0.39 0.03 -0.55 8.46 8.17 1pj2B1 ARG 1264 HA -0.05 0.04 0.37 -0.75 4.34 3.95 1pj2B1 ARG 1264 HB2 -0.31 0.02 -0.03 -0.04 1.90 1.54 1pj2B1 ARG 1264 HB3 -0.27 -0.02 0.08 -0.04 1.80 1.56 1pj2B1 ARG 1264 HG2 -0.55 0.45 0.19 -0.04 1.67 1.72 1pj2B1 ARG 1264 HG3 -0.86 0.08 0.11 -0.04 1.67 0.95 1pj2B1 ARG 1264 HD2 -1.42 -0.02 -0.16 -0.04 3.22 1.57 1pj2B1 ARG 1264 HD3 -0.71 -0.15 -0.18 -0.04 3.22 2.14 1pj2B1 PHE 1265 H -0.33 0.55 -0.21 -0.55 8.34 7.80 1pj2B1 PHE 1265 HA -0.21 0.06 0.44 -0.75 4.62 4.15 1pj2B1 PHE 1265 HB2 -0.43 0.09 0.05 -0.04 3.15 2.82 1pj2B1 PHE 1265 HB3 -0.43 0.02 -0.06 -0.04 3.06 2.54 1pj2B1 PHE 1265 HD2 -0.06 -0.01 -0.11 -0.04 7.28 7.06 1pj2B1 PHE 1265 HE2 0.36 -0.04 -0.06 -0.04 7.38 7.59 1pj2B1 PHE 1265 HZ 0.30 -0.05 -0.10 -0.04 7.32 7.44 1pj2B1 LEU 1266 H -0.16 0.35 -0.21 -0.55 8.37 7.80 1pj2B1 LEU 1266 HA -0.15 0.00 0.36 -0.75 4.35 3.81 1pj2B1 LEU 1266 HB2 -0.20 -0.05 0.18 -0.04 1.64 1.52 1pj2B1 LEU 1266 HB3 -0.10 0.15 0.27 -0.04 1.64 1.92 1pj2B1 LEU 1266 HG 0.00 0.08 -0.23 -0.04 1.64 1.45 1pj2B1 LEU 1266 HD13 0.01 -0.03 0.07 -0.04 0.93 0.93 1pj2B1 LEU 1266 HD23 -0.09 -0.03 0.03 -0.04 0.89 0.75 1pj2B1 ARG 1267 H -0.01 0.54 -0.08 -0.55 8.46 8.36 1pj2B1 ARG 1267 HA 0.03 0.04 0.40 -0.75 4.34 4.06 1pj2B1 ARG 1267 HB2 0.11 -0.03 0.07 -0.04 1.90 2.01 1pj2B1 ARG 1267 HB3 0.01 0.04 0.11 -0.04 1.80 1.92 1pj2B1 ARG 1267 HG2 -0.00 0.03 -0.14 -0.04 1.67 1.51 1pj2B1 ARG 1267 HG3 0.03 0.02 0.03 -0.04 1.67 1.70 1pj2B1 ARG 1267 HD2 0.00 0.02 -0.03 -0.04 3.22 3.17 1pj2B1 ARG 1267 HD3 0.10 -0.04 -0.03 -0.04 3.22 3.21 1pj2B1 LYS 1268 H -0.10 0.56 -0.09 -0.55 8.42 8.25 1pj2B1 LYS 1268 HA -0.13 0.01 0.40 -0.75 4.32 3.84 1pj2B1 LYS 1268 HB2 -0.18 -0.03 0.13 -0.04 1.87 1.75 1pj2B1 LYS 1268 HB3 -0.44 0.02 0.17 -0.04 1.79 1.50 1pj2B1 LYS 1268 HG2 -0.84 0.05 -0.17 -0.04 1.46 0.45 1pj2B1 LYS 1268 HG3 -0.22 -0.03 0.04 -0.04 1.46 1.20 1pj2B1 LYS 1268 HD2 -0.08 -0.07 -0.05 -0.04 1.69 1.46 1pj2B1 LYS 1268 HD3 -0.40 -0.01 -0.06 -0.04 1.68 1.16 1pj2B1 LYS 1268 HE2 -0.02 0.06 -0.05 -0.04 2.99 2.94 1pj2B1 LYS 1268 HE3 -0.02 -0.02 -0.03 -0.04 2.99 2.88 1pj2B1 TYR 1269 H -0.04 0.58 -0.15 -0.55 8.29 8.13 1pj2B1 TYR 1269 HA 0.13 0.20 1.12 -0.75 4.56 5.25 1pj2B1 TYR 1269 HB2 0.04 0.05 0.01 -0.04 3.06 3.12 1pj2B1 TYR 1269 HB3 0.36 -0.01 0.02 -0.04 2.98 3.30 1pj2B1 TYR 1269 HD2 0.15 0.00 -0.05 -0.04 7.15 7.22 1pj2B1 TYR 1269 HE2 -0.01 -0.05 -0.08 -0.04 6.85 6.67 1pj2B1 ARG 1270 H 0.10 0.61 0.07 -0.55 8.46 8.68 1pj2B1 ARG 1270 HA 0.22 0.06 0.39 -0.75 4.34 4.25 1pj2B1 ARG 1270 HB2 0.13 0.04 0.17 -0.04 1.90 2.20 1pj2B1 ARG 1270 HB3 0.10 -0.08 0.17 -0.04 1.80 1.95 1pj2B1 ARG 1270 HG2 0.05 0.20 0.18 -0.04 1.67 2.06 1pj2B1 ARG 1270 HG3 0.04 0.00 -0.16 -0.04 1.67 1.52 1pj2B1 ARG 1270 HD2 0.05 -0.11 -0.08 -0.04 3.22 3.04 1pj2B1 ARG 1270 HD3 0.05 -0.06 -0.02 -0.04 3.22 3.15 1pj2B1 GLU 1271 H 0.05 0.03 -0.63 -0.55 8.60 7.50 1pj2B1 GLU 1271 HA -0.23 0.12 0.62 -0.75 4.29 4.06 1pj2B1 GLU 1271 HB2 -0.04 0.03 0.03 -0.04 2.09 2.07 1pj2B1 GLU 1271 HB3 -0.08 0.02 -0.07 -0.04 1.99 1.81 1pj2B1 GLU 1271 HG2 -0.06 -0.06 -0.01 -0.04 2.34 2.17 1pj2B1 GLU 1271 HG3 -0.14 0.02 0.02 -0.04 2.34 2.20 1pj2B1 LYS 1272 H 0.05 0.05 -0.02 -0.55 8.42 7.95 1pj2B1 LYS 1272 HA -0.07 0.11 0.72 -0.75 4.32 4.33 1pj2B1 LYS 1272 HB2 -0.09 -0.05 0.13 -0.04 1.87 1.82 1pj2B1 LYS 1272 HB3 -0.27 -0.00 0.14 -0.04 1.79 1.62 1pj2B1 LYS 1272 HG2 -0.83 0.03 -0.03 -0.04 1.46 0.60 1pj2B1 LYS 1272 HG3 -0.22 -0.02 0.08 -0.04 1.46 1.26 1pj2B1 LYS 1272 HD2 -0.06 -0.04 0.03 -0.04 1.69 1.58 1pj2B1 LYS 1272 HD3 -0.07 -0.00 0.00 -0.04 1.68 1.58 1pj2B1 LYS 1272 HE2 -0.14 0.03 0.00 -0.04 2.99 2.85 1pj2B1 LYS 1272 HE3 -0.07 -0.02 0.01 -0.04 2.99 2.87 1pj2B1 TYR 1273 H 0.25 0.61 0.18 -0.55 8.29 8.78 1pj2B1 TYR 1273 HA 0.08 0.31 0.96 -0.75 4.56 5.16 1pj2B1 TYR 1273 HB2 0.11 -0.11 -0.07 -0.04 3.06 2.95 1pj2B1 TYR 1273 HB3 0.03 0.04 0.02 -0.04 2.98 3.02 1pj2B1 TYR 1273 HD2 0.08 0.03 0.00 -0.04 7.15 7.21 1pj2B1 TYR 1273 HE2 0.04 -0.05 -0.04 -0.04 6.85 6.76 1pj2B1 CYS 1274 H 0.18 0.27 0.02 -0.55 8.50 8.41 1pj2B1 CYS 1274 HA 0.14 0.10 0.60 -0.75 4.58 4.67 1pj2B1 CYS 1274 HB2 -0.00 0.14 0.00 -0.04 2.97 3.08 1pj2B1 CYS 1274 HB3 0.07 0.12 -0.13 -0.04 2.97 2.99 1pj2B1 THR 1275 H 0.27 0.39 -0.17 -0.55 8.28 8.22 1pj2B1 THR 1275 HA 0.22 0.22 0.98 -0.75 4.39 5.05 1pj2B1 THR 1275 HB 0.21 0.02 -0.12 -0.04 4.32 4.38 1pj2B1 THR 1275 HG23 0.27 0.01 -0.33 -0.04 1.22 1.14 1pj2B1 PHE 1276 H 0.09 0.49 0.34 -0.55 8.34 8.71 1pj2B1 PHE 1276 HA 0.07 0.06 0.47 -0.75 4.62 4.46 1pj2B1 PHE 1276 HB2 0.20 -0.07 0.06 -0.04 3.15 3.30 1pj2B1 PHE 1276 HB3 0.24 0.29 -0.29 -0.04 3.06 3.26 1pj2B1 PHE 1276 HD2 0.19 0.03 -0.44 -0.04 7.28 7.02 1pj2B1 PHE 1276 HE2 0.20 -0.02 -0.16 -0.04 7.38 7.35 1pj2B1 PHE 1276 HZ 0.20 0.02 -0.08 -0.04 7.32 7.41 1pj2B1 ASN 1277 H 0.12 0.22 0.18 -0.55 8.53 8.50 1pj2B1 ASN 1277 HA -0.07 0.25 1.14 -0.75 4.76 5.32 1pj2B1 ASN 1277 HB2 -0.17 0.14 0.09 -0.04 2.88 2.90 1pj2B1 ASN 1277 HB3 -0.13 -0.01 0.21 -0.04 2.79 2.82 1pj2B1 ASN 1277 HD21 0.00 -0.12 -0.05 -0.04 7.03 6.82 1pj2B1 ASN 1277 HD22 -0.13 0.13 0.01 -0.04 7.74 7.72 1pj2B1 ASP 1278 H -0.06 0.60 0.29 -0.55 8.40 8.68 1pj2B1 ASP 1278 HA 0.44 0.01 0.46 -0.75 4.63 4.79 1pj2B1 ASP 1278 HB2 0.00 0.16 0.09 -0.04 2.71 2.92 1pj2B1 ASP 1278 HB3 0.02 -0.03 0.14 -0.04 2.70 2.79 1pj2B1 ASP 1279 H 0.03 0.17 -0.02 -0.55 8.40 8.04 1pj2B1 ASP 1279 HA 0.05 0.12 0.46 -0.75 4.63 4.51 1pj2B1 ASP 1279 HB2 -0.03 0.01 0.04 -0.04 2.71 2.69 1pj2B1 ASP 1279 HB3 -0.01 0.01 0.05 -0.04 2.70 2.71 1pj2B1 ILE 1280 H -0.04 0.12 -0.48 -0.55 8.25 7.30 1pj2B1 ILE 1280 HA -0.10 0.26 0.73 -0.75 4.18 4.31 1pj2B1 ILE 1280 HB -0.18 -0.01 0.13 -0.04 1.89 1.78 1pj2B1 ILE 1280 HG12 -0.49 0.09 -0.10 -0.04 1.49 0.95 1pj2B1 ILE 1280 HG13 -0.32 -0.19 -0.21 -0.04 1.21 0.45 1pj2B1 ILE 1280 HG23 -0.15 0.05 -0.15 -0.04 0.93 0.64 1pj2B1 ILE 1280 HD13 -0.93 0.01 -0.12 -0.04 0.88 -0.19 1pj2B1 GLN 1281 H -0.06 0.56 0.21 -0.55 8.47 8.63 1pj2B1 GLN 1281 HA -0.26 0.22 0.66 -0.75 4.36 4.22 1pj2B1 GLN 1281 HB2 -0.49 0.01 0.03 -0.04 2.15 1.66 1pj2B1 GLN 1281 HB3 -2.11 0.07 -0.01 -0.04 2.02 -0.07 1pj2B1 GLN 1281 HG2 -0.38 0.09 -0.02 -0.04 2.40 2.04 1pj2B1 GLN 1281 HG3 -0.21 -0.15 0.06 -0.04 2.39 2.05 1pj2B1 GLN 1281 HE21 0.03 0.20 0.02 -0.04 6.97 7.17 1pj2B1 GLN 1281 HE22 -0.21 -0.02 -0.03 -0.04 7.69 7.39 1pj2B1 GLY 1282 H 0.21 0.14 0.11 -0.55 8.43 8.34 1pj2B1 GLY 1282 HA2 0.43 0.13 0.42 -0.51 4.01 4.49 1pj2B1 GLY 1282 HA3 0.37 0.02 0.37 -0.51 4.01 4.25 1pj2B1 THR 1283 H 0.13 0.30 -0.24 -0.55 8.28 7.93 1pj2B1 THR 1283 HA 0.12 -0.02 0.30 -0.75 4.39 4.03 1pj2B1 THR 1283 HB 0.06 0.14 -0.11 -0.04 4.32 4.37 1pj2B1 THR 1283 HG23 0.08 -0.01 -0.09 -0.04 1.22 1.15 1pj2B1 ALA 1284 H 0.06 0.22 -0.51 -0.55 8.40 7.63 1pj2B1 ALA 1284 HA 0.09 -0.02 0.20 -0.75 4.34 3.86 1pj2B1 ALA 1284 HB3 0.02 0.08 -0.06 -0.04 1.41 1.41 1pj2B1 ALA 1285 H 0.17 0.34 -0.43 -0.55 8.40 7.94 1pj2B1 ALA 1285 HA 0.12 0.11 0.42 -0.75 4.34 4.23 1pj2B1 ALA 1285 HB3 0.18 0.01 0.03 -0.04 1.41 1.59 1pj2B1 VAL 1286 H 0.12 0.30 -0.24 -0.55 8.24 7.87 1pj2B1 VAL 1286 HA 0.09 0.11 0.35 -0.75 4.13 3.93 1pj2B1 VAL 1286 HB 0.05 -0.02 -0.12 -0.04 2.12 1.99 1pj2B1 VAL 1286 HG13 -0.18 -0.01 -0.20 -0.04 0.97 0.54 1pj2B1 VAL 1286 HG23 0.10 0.01 -0.14 -0.04 0.95 0.87 1pj2B1 ALA 1287 H 0.13 0.62 -0.05 -0.55 8.40 8.56 1pj2B1 ALA 1287 HA 0.23 -0.00 0.30 -0.75 4.34 4.11 1pj2B1 ALA 1287 HB3 0.21 0.00 -0.02 -0.04 1.41 1.56 1pj2B1 LEU 1288 H 0.14 0.53 -0.27 -0.55 8.37 8.22 1pj2B1 LEU 1288 HA 0.09 0.03 0.34 -0.75 4.35 4.06 1pj2B1 LEU 1288 HB2 0.09 0.04 0.02 -0.04 1.64 1.76 1pj2B1 LEU 1288 HB3 0.09 0.00 0.09 -0.04 1.64 1.79 1pj2B1 LEU 1288 HG 0.05 -0.05 -0.33 -0.04 1.64 1.27 1pj2B1 LEU 1288 HD13 0.05 -0.01 -0.02 -0.04 0.93 0.91 1pj2B1 LEU 1288 HD23 0.06 0.02 -0.08 -0.04 0.89 0.84 1pj2B1 ALA 1289 H 0.12 0.51 -0.26 -0.55 8.40 8.22 1pj2B1 ALA 1289 HA 0.03 0.01 0.36 -0.75 4.34 3.99 1pj2B1 ALA 1289 HB3 0.12 0.00 0.16 -0.04 1.41 1.65 1pj2B1 GLY 1290 H 0.14 0.33 -0.56 -0.55 8.43 7.80 1pj2B1 GLY 1290 HA2 -0.51 0.15 0.42 -0.51 4.01 3.55 1pj2B1 GLY 1290 HA3 -0.00 -0.03 0.23 -0.51 4.01 3.70 1pj2B1 LEU 1291 H 0.14 0.48 0.01 -0.55 8.37 8.44 1pj2B1 LEU 1291 HA -0.03 -0.02 0.37 -0.75 4.35 3.91 1pj2B1 LEU 1291 HB2 -0.00 0.12 0.15 -0.04 1.64 1.88 1pj2B1 LEU 1291 HB3 -0.12 0.02 -0.04 -0.04 1.64 1.46 1pj2B1 LEU 1291 HG -0.14 0.01 -0.06 -0.04 1.64 1.41 1pj2B1 LEU 1291 HD13 -0.38 -0.01 -0.05 -0.04 0.93 0.45 1pj2B1 LEU 1291 HD23 0.05 -0.01 -0.07 -0.04 0.89 0.83 1pj2B1 LEU 1292 H 0.01 0.63 -0.23 -0.55 8.37 8.23 1pj2B1 LEU 1292 HA 0.00 -0.00 0.32 -0.75 4.35 3.91 1pj2B1 LEU 1292 HB2 0.00 0.09 0.07 -0.04 1.64 1.76 1pj2B1 LEU 1292 HB3 -0.00 -0.02 -0.09 -0.04 1.64 1.49 1pj2B1 LEU 1292 HG 0.01 -0.03 -0.01 -0.04 1.64 1.58 1pj2B1 LEU 1292 HD13 0.02 -0.00 -0.10 -0.04 0.93 0.81 1pj2B1 LEU 1292 HD23 0.01 -0.02 -0.11 -0.04 0.89 0.74 1pj2B1 ALA 1293 H -0.05 0.39 -0.47 -0.55 8.40 7.73 1pj2B1 ALA 1293 HA -0.03 0.01 0.50 -0.75 4.34 4.05 1pj2B1 ALA 1293 HB3 -0.14 0.04 0.19 -0.04 1.41 1.46 1pj2B1 ALA 1294 H -0.00 0.44 -0.06 -0.55 8.40 8.23 1pj2B1 ALA 1294 HA 0.03 0.02 0.38 -0.75 4.34 4.02 1pj2B1 ALA 1294 HB3 0.04 0.03 0.10 -0.04 1.41 1.54 1pj2B1 GLN 1295 H 0.03 0.59 -0.14 -0.55 8.47 8.40 1pj2B1 GLN 1295 HA 0.07 -0.07 0.33 -0.75 4.36 3.93 1pj2B1 GLN 1295 HB2 0.02 0.22 0.07 -0.04 2.15 2.42 1pj2B1 GLN 1295 HB3 0.04 -0.04 -0.08 -0.04 2.02 1.89 1pj2B1 GLN 1295 HG2 0.10 0.07 -0.04 -0.04 2.40 2.50 1pj2B1 GLN 1295 HG3 0.03 0.11 -0.02 -0.04 2.39 2.47 1pj2B1 GLN 1295 HE21 0.03 -0.04 -0.05 -0.04 6.97 6.86 1pj2B1 GLN 1295 HE22 0.02 0.05 -0.03 -0.04 7.69 7.69 1pj2B1 LYS 1296 H 0.02 0.40 -0.40 -0.55 8.42 7.88 1pj2B1 LYS 1296 HA 0.02 -0.01 0.39 -0.75 4.32 3.97 1pj2B1 LYS 1296 HB2 0.01 0.22 0.08 -0.04 1.87 2.14 1pj2B1 LYS 1296 HB3 0.01 -0.10 0.13 -0.04 1.79 1.79 1pj2B1 LYS 1296 HG2 0.01 -0.08 0.01 -0.04 1.46 1.36 1pj2B1 LYS 1296 HG3 0.01 0.11 0.04 -0.04 1.46 1.58 1pj2B1 LYS 1296 HD2 0.01 -0.08 0.01 -0.04 1.69 1.59 1pj2B1 LYS 1296 HD3 0.01 -0.07 -0.01 -0.04 1.68 1.57 1pj2B1 LYS 1296 HE2 -0.00 0.07 -0.02 -0.04 2.99 2.99 1pj2B1 LYS 1296 HE3 -0.00 0.04 0.03 -0.04 2.99 3.01 1pj2B1 VAL 1297 H 0.03 0.48 -0.72 -0.55 8.24 7.47 1pj2B1 VAL 1297 HA 0.02 0.09 0.84 -0.75 4.13 4.33 1pj2B1 VAL 1297 HB 0.03 0.19 0.26 -0.04 2.12 2.55 1pj2B1 VAL 1297 HG13 0.03 -0.02 -0.14 -0.04 0.97 0.80 1pj2B1 VAL 1297 HG23 0.03 -0.00 -0.10 -0.04 0.95 0.84 1pj2B1 ILE 1298 H 0.03 0.42 0.18 -0.55 8.25 8.32 1pj2B1 ILE 1298 HA -0.00 0.08 0.50 -0.75 4.18 4.00 1pj2B1 ILE 1298 HB -0.05 -0.07 0.12 -0.04 1.89 1.85 1pj2B1 ILE 1298 HG12 0.06 0.12 -0.07 -0.04 1.49 1.56 1pj2B1 ILE 1298 HG13 0.02 -0.13 -0.03 -0.04 1.21 1.03 1pj2B1 ILE 1298 HG23 -0.01 0.03 0.08 -0.04 0.93 0.99 1pj2B1 ILE 1298 HD13 0.09 0.01 -0.05 -0.04 0.88 0.90 1pj2B1 SER 1299 H 0.02 0.59 0.03 -0.55 8.46 8.55 1pj2B1 SER 1299 HA 0.02 0.10 0.28 -0.75 4.49 4.14 1pj2B1 SER 1299 HB2 0.00 0.24 0.11 -0.04 3.95 4.26 1pj2B1 SER 1299 HB3 0.01 -0.14 0.09 -0.04 3.93 3.84 1pj2B1 LYS 1300 H -0.01 -0.14 -1.20 -0.55 8.42 6.52 1pj2B1 LYS 1300 HA -0.02 0.01 0.31 -0.75 4.32 3.86 1pj2B1 LYS 1300 HB2 -0.10 -0.01 0.04 -0.04 1.87 1.76 1pj2B1 LYS 1300 HB3 -0.13 0.02 0.01 -0.04 1.79 1.65 1pj2B1 LYS 1300 HG2 -0.10 0.01 -0.08 -0.04 1.46 1.26 1pj2B1 LYS 1300 HG3 -0.09 -0.01 0.04 -0.04 1.46 1.36 1pj2B1 LYS 1300 HD2 -0.24 0.04 0.04 -0.04 1.69 1.49 1pj2B1 LYS 1300 HD3 -0.54 -0.01 -0.01 -0.04 1.68 1.08 1pj2B1 LYS 1300 HE2 -0.13 -0.12 0.05 -0.04 2.99 2.75 1pj2B1 LYS 1300 HE3 -0.11 0.04 0.03 -0.04 2.99 2.91 1pj2B1 PRO 1301 HA 0.03 0.13 0.37 -0.51 4.44 4.46 1pj2B1 PRO 1301 HB2 0.02 -0.09 0.04 -0.04 2.28 2.20 1pj2B1 PRO 1301 HB3 0.02 -0.03 0.19 -0.04 2.02 2.16 1pj2B1 PRO 1301 HG2 0.00 -0.00 0.07 -0.04 2.03 2.06 1pj2B1 PRO 1301 HG3 0.01 0.10 0.12 -0.04 2.03 2.22 1pj2B1 PRO 1301 HD2 -0.02 0.04 0.14 -0.04 3.68 3.80 1pj2B1 PRO 1301 HD3 -0.01 0.20 0.19 -0.04 3.65 3.99 1pj2B1 ILE 1302 H 0.04 0.08 0.20 -0.55 8.25 8.02 1pj2B1 ILE 1302 HA 0.10 0.32 0.75 -0.75 4.18 4.59 1pj2B1 ILE 1302 HB 0.05 -0.06 0.07 -0.04 1.89 1.90 1pj2B1 ILE 1302 HG12 0.05 -0.10 -0.01 -0.04 1.49 1.38 1pj2B1 ILE 1302 HG13 0.04 0.05 -0.01 -0.04 1.21 1.25 1pj2B1 ILE 1302 HG23 0.06 0.03 0.01 -0.04 0.93 0.98 1pj2B1 ILE 1302 HD13 0.06 0.05 -0.15 -0.04 0.88 0.81 1pj2B1 SER 1303 H 0.04 -0.05 0.05 -0.55 8.46 7.95 1pj2B1 SER 1303 HA 0.04 0.11 0.48 -0.75 4.49 4.36 1pj2B1 SER 1303 HB2 0.02 0.00 0.12 -0.04 3.95 4.05 1pj2B1 SER 1303 HB3 0.02 -0.05 0.11 -0.04 3.93 3.98 1pj2B1 GLU 1304 H 0.05 -0.13 -1.12 -0.55 8.60 6.85 1pj2B1 GLU 1304 HA 0.00 0.11 0.56 -0.75 4.29 4.21 1pj2B1 GLU 1304 HB2 -0.01 0.38 -0.30 -0.04 2.09 2.12 1pj2B1 GLU 1304 HB3 -0.10 -0.13 0.03 -0.04 1.99 1.75 1pj2B1 GLU 1304 HG2 -0.01 -0.13 -0.27 -0.04 2.34 1.89 1pj2B1 GLU 1304 HG3 -0.03 -0.00 -0.04 -0.04 2.34 2.23 1pj2B1 HIS 1305 H -0.10 0.02 0.01 -0.55 8.41 7.80 1pj2B1 HIS 1305 HA -0.02 -0.12 0.37 -0.75 4.63 4.11 1pj2B1 HIS 1305 HB2 0.01 0.27 -0.31 -0.04 3.26 3.19 1pj2B1 HIS 1305 HB3 0.01 -0.02 0.01 -0.04 3.20 3.15 1pj2B1 HIS 1305 HD2 -0.01 0.19 -0.12 -0.04 6.97 6.98 1pj2B1 HIS 1305 HE1 -0.09 0.03 -0.06 -0.04 7.75 7.58 1pj2B1 LYS 1306 H 0.07 -0.03 0.16 -0.55 8.42 8.07 1pj2B1 LYS 1306 HA 0.15 0.35 0.87 -0.75 4.32 4.93 1pj2B1 LYS 1306 HB2 0.04 -0.01 0.01 -0.04 1.87 1.87 1pj2B1 LYS 1306 HB3 0.01 -0.12 0.21 -0.04 1.79 1.84 1pj2B1 LYS 1306 HG2 0.08 -0.04 -0.17 -0.04 1.46 1.29 1pj2B1 LYS 1306 HG3 0.18 0.06 0.02 -0.04 1.46 1.68 1pj2B1 LYS 1306 HD2 0.01 -0.07 -0.02 -0.04 1.69 1.57 1pj2B1 LYS 1306 HD3 -0.08 0.32 -0.08 -0.04 1.68 1.79 1pj2B1 LYS 1306 HE2 -0.21 -0.07 -0.05 -0.04 2.99 2.63 1pj2B1 LYS 1306 HE3 0.19 -0.01 -0.03 -0.04 2.99 3.10 1pj2B1 ILE 1307 H 0.17 0.79 0.27 -0.55 8.25 8.93 1pj2B1 ILE 1307 HA -0.01 0.17 0.94 -0.75 4.18 4.52 1pj2B1 ILE 1307 HB 0.12 0.04 0.13 -0.04 1.89 2.15 1pj2B1 ILE 1307 HG12 -0.10 -0.07 -0.14 -0.04 1.49 1.15 1pj2B1 ILE 1307 HG13 0.04 0.10 -0.18 -0.04 1.21 1.13 1pj2B1 ILE 1307 HG23 -0.38 -0.03 -0.22 -0.04 0.93 0.26 1pj2B1 ILE 1307 HD13 -0.06 -0.01 -0.11 -0.04 0.88 0.66 1pj2B1 LEU 1308 H -0.05 0.55 0.39 -0.55 8.37 8.71 1pj2B1 LEU 1308 HA 0.31 0.30 1.02 -0.75 4.35 5.23 1pj2B1 LEU 1308 HB2 0.05 0.05 -0.09 -0.04 1.64 1.61 1pj2B1 LEU 1308 HB3 0.02 -0.01 0.12 -0.04 1.64 1.73 1pj2B1 LEU 1308 HG 0.41 -0.06 -0.41 -0.04 1.64 1.54 1pj2B1 LEU 1308 HD13 0.36 0.01 -0.21 -0.04 0.93 1.05 1pj2B1 LEU 1308 HD23 -0.39 -0.02 -0.18 -0.04 0.89 0.26 1pj2B1 PHE 1309 H 0.49 0.69 0.51 -0.55 8.34 9.48 1pj2B1 PHE 1309 HA 0.19 0.16 1.03 -0.75 4.62 5.24 1pj2B1 PHE 1309 HB2 0.13 0.06 0.01 -0.04 3.15 3.30 1pj2B1 PHE 1309 HB3 0.10 0.08 -0.05 -0.04 3.06 3.14 1pj2B1 PHE 1309 HD2 0.06 0.09 -0.09 -0.04 7.28 7.30 1pj2B1 PHE 1309 HE2 -0.01 -0.01 -0.12 -0.04 7.38 7.21 1pj2B1 PHE 1309 HZ -0.02 0.00 -0.20 -0.04 7.32 7.06 1pj2B1 LEU 1310 H 0.25 0.58 0.42 -0.55 8.37 9.07 1pj2B1 LEU 1310 HA 0.13 0.29 0.90 -0.75 4.35 4.92 1pj2B1 LEU 1310 HB2 -0.48 0.07 0.04 -0.04 1.64 1.24 1pj2B1 LEU 1310 HB3 -0.09 -0.25 0.32 -0.04 1.64 1.58 1pj2B1 LEU 1310 HG -0.09 -0.03 -0.16 -0.04 1.64 1.31 1pj2B1 LEU 1310 HD13 -0.64 0.05 -0.01 -0.04 0.93 0.30 1pj2B1 LEU 1310 HD23 -0.27 -0.06 -0.02 -0.04 0.89 0.50 1pj2B1 GLY 1311 H 0.23 1.11 0.16 -0.55 8.43 9.38 1pj2B1 GLY 1311 HA2 0.08 -0.17 0.41 -0.51 4.01 3.83 1pj2B1 GLY 1311 HA3 0.07 0.08 0.66 -0.51 4.01 4.31 1pj2B1 ALA 1312 H 0.05 0.02 0.06 -0.55 8.40 7.98 1pj2B1 ALA 1312 HA -0.05 0.27 0.69 -0.75 4.34 4.50 1pj2B1 ALA 1312 HB3 0.03 0.04 -0.05 -0.04 1.41 1.40 1pj2B1 GLY 1313 H 0.03 0.13 -0.06 -0.55 8.43 7.98 1pj2B1 GLY 1313 HA2 0.08 0.18 0.53 -0.51 4.01 4.30 1pj2B1 GLY 1313 HA3 0.05 -0.03 0.41 -0.51 4.01 3.93 1pj2B1 GLU 1314 H 0.06 0.11 0.12 -0.55 8.60 8.34 1pj2B1 GLU 1314 HA 0.01 0.11 0.31 -0.75 4.29 3.97 1pj2B1 GLU 1314 HB2 -0.04 -0.04 0.11 -0.04 2.09 2.07 1pj2B1 GLU 1314 HB3 -0.18 0.04 -0.20 -0.04 1.99 1.61 1pj2B1 GLU 1314 HG2 -0.39 0.05 -0.00 -0.04 2.34 1.96 1pj2B1 GLU 1314 HG3 -0.01 -0.10 0.08 -0.04 2.34 2.27 1pj2B1 ALA 1315 H 0.00 0.03 -0.06 -0.55 8.40 7.83 1pj2B1 ALA 1315 HA -0.00 0.23 0.56 -0.75 4.34 4.38 1pj2B1 ALA 1315 HB3 0.04 0.02 0.05 -0.04 1.41 1.48 1pj2B1 ALA 1316 H -0.02 -0.01 -0.30 -0.55 8.40 7.52 1pj2B1 ALA 1316 HA -0.25 0.11 0.29 -0.75 4.34 3.73 1pj2B1 ALA 1316 HB3 -0.28 0.03 -0.13 -0.04 1.41 0.98 1pj2B1 LEU 1317 H -0.11 0.45 -0.29 -0.55 8.37 7.88 1pj2B1 LEU 1317 HA -0.30 0.10 0.26 -0.75 4.35 3.65 1pj2B1 LEU 1317 HB2 0.23 0.03 -0.01 -0.04 1.64 1.84 1pj2B1 LEU 1317 HB3 0.04 -0.03 -0.07 -0.04 1.64 1.54 1pj2B1 LEU 1317 HG -0.06 0.10 -0.13 -0.04 1.64 1.52 1pj2B1 LEU 1317 HD13 -0.16 -0.08 -0.11 -0.04 0.93 0.54 1pj2B1 LEU 1317 HD23 -0.06 0.01 -0.19 -0.04 0.89 0.61 1pj2B1 GLY 1318 H -0.03 0.24 -0.48 -0.55 8.43 7.63 1pj2B1 GLY 1318 HA2 0.01 -0.01 0.41 -0.51 4.01 3.92 1pj2B1 GLY 1318 HA3 -0.02 0.15 0.36 -0.51 4.01 3.99 1pj2B1 ILE 1319 H -0.03 0.67 -0.01 -0.55 8.25 8.34 1pj2B1 ILE 1319 HA 0.09 0.00 0.46 -0.75 4.18 3.98 1pj2B1 ILE 1319 HB 0.25 0.07 0.08 -0.04 1.89 2.25 1pj2B1 ILE 1319 HG12 0.14 -0.08 -0.19 -0.04 1.49 1.31 1pj2B1 ILE 1319 HG13 0.09 0.39 0.06 -0.04 1.21 1.71 1pj2B1 ILE 1319 HG23 0.25 0.01 -0.13 -0.04 0.93 1.01 1pj2B1 ILE 1319 HD13 0.25 -0.05 -0.19 -0.04 0.88 0.86 1pj2B1 ALA 1320 H -0.28 0.76 -0.08 -0.55 8.40 8.26 1pj2B1 ALA 1320 HA 0.02 0.04 0.28 -0.75 4.34 3.93 1pj2B1 ALA 1320 HB3 -1.03 0.02 -0.00 -0.04 1.41 0.35 1pj2B1 ASN 1321 H -0.02 0.45 -0.22 -0.55 8.53 8.20 1pj2B1 ASN 1321 HA 0.24 0.01 0.32 -0.75 4.76 4.58 1pj2B1 ASN 1321 HB2 0.08 0.12 0.14 -0.04 2.88 3.19 1pj2B1 ASN 1321 HB3 0.10 -0.06 -0.06 -0.04 2.79 2.72 1pj2B1 ASN 1321 HD21 0.27 -0.07 0.02 -0.04 7.03 7.21 1pj2B1 ASN 1321 HD22 0.13 0.53 0.11 -0.04 7.74 8.47 1pj2B1 LEU 1322 H 0.07 0.36 -0.33 -0.55 8.37 7.92 1pj2B1 LEU 1322 HA 0.08 0.03 0.49 -0.75 4.35 4.19 1pj2B1 LEU 1322 HB2 0.06 -0.06 0.03 -0.04 1.64 1.62 1pj2B1 LEU 1322 HB3 0.08 0.08 0.00 -0.04 1.64 1.76 1pj2B1 LEU 1322 HG 0.08 0.10 -0.08 -0.04 1.64 1.69 1pj2B1 LEU 1322 HD13 0.09 -0.03 -0.05 -0.04 0.93 0.90 1pj2B1 LEU 1322 HD23 0.11 0.01 -0.36 -0.04 0.89 0.61 1pj2B1 ILE 1323 H 0.10 0.53 -0.13 -0.55 8.25 8.20 1pj2B1 ILE 1323 HA 0.08 -0.03 0.37 -0.75 4.18 3.85 1pj2B1 ILE 1323 HB 0.14 0.09 0.13 -0.04 1.89 2.22 1pj2B1 ILE 1323 HG12 0.09 -0.08 -0.05 -0.04 1.49 1.41 1pj2B1 ILE 1323 HG13 0.14 0.35 -0.02 -0.04 1.21 1.64 1pj2B1 ILE 1323 HG23 0.08 -0.01 -0.19 -0.04 0.93 0.76 1pj2B1 ILE 1323 HD13 0.16 -0.04 -0.17 -0.04 0.88 0.79 1pj2B1 VAL 1324 H 0.16 0.57 -0.11 -0.55 8.24 8.31 1pj2B1 VAL 1324 HA 0.12 -0.01 0.07 -0.75 4.13 3.56 1pj2B1 VAL 1324 HB 0.16 0.12 0.05 -0.04 2.12 2.41 1pj2B1 VAL 1324 HG13 0.07 -0.04 0.06 -0.04 0.97 1.02 1pj2B1 VAL 1324 HG23 0.31 0.04 -0.10 -0.04 0.95 1.16 1pj2B1 SER 1326 HA 0.04 -0.16 0.17 -0.75 4.49 3.79 1pj2B1 SER 1326 HB2 0.05 0.02 0.12 -0.04 3.95 4.10 1pj2B1 SER 1326 HB3 0.05 0.11 0.08 -0.04 3.93 4.13 1pj2B1 VAL 1328 HA 0.03 0.31 0.09 -0.75 4.13 3.81 1pj2B1 VAL 1328 HB 0.04 0.02 -0.18 -0.04 2.12 1.96 1pj2B1 VAL 1328 HG13 0.03 -0.05 -0.03 -0.04 0.97 0.88 1pj2B1 VAL 1328 HG23 0.04 0.05 -0.13 -0.04 0.95 0.88 1pj2B1 GLU 1329 H 0.04 0.34 -2.20 -0.55 8.60 6.23 1pj2B1 GLU 1329 HA 0.04 0.00 0.50 -0.75 4.29 4.08 1pj2B1 GLU 1329 HB2 0.04 -0.04 -0.05 -0.04 2.09 2.00 1pj2B1 GLU 1329 HB3 0.04 0.26 0.02 -0.04 1.99 2.27 1pj2B1 GLU 1329 HG2 0.03 -0.02 0.02 -0.04 2.34 2.33 1pj2B1 GLU 1329 HG3 0.04 -0.07 0.07 -0.04 2.34 2.34 1pj2B1 ASN 1330 H 0.03 0.27 0.08 -0.55 8.53 8.37 1pj2B1 ASN 1330 HA 0.03 0.15 0.93 -0.75 4.76 5.11 1pj2B1 ASN 1330 HB2 0.03 0.05 0.14 -0.04 2.88 3.07 1pj2B1 ASN 1330 HB3 0.03 -0.10 0.15 -0.04 2.79 2.83 1pj2B1 ASN 1330 HD21 0.03 -0.06 -0.03 -0.04 7.03 6.92 1pj2B1 ASN 1330 HD22 0.03 0.01 0.00 -0.04 7.74 7.74 1pj2B1 GLY 1331 H 0.02 0.25 -0.27 -0.55 8.43 7.89 1pj2B1 GLY 1331 HA2 0.02 -0.04 0.34 -0.51 4.01 3.81 1pj2B1 GLY 1331 HA3 0.02 0.04 0.48 -0.51 4.01 4.04 1pj2B1 LEU 1332 H 0.03 0.38 -0.07 -0.55 8.37 8.16 1pj2B1 LEU 1332 HA 0.02 -0.10 0.31 -0.75 4.35 3.83 1pj2B1 LEU 1332 HB2 0.04 0.12 -0.08 -0.04 1.64 1.68 1pj2B1 LEU 1332 HB3 0.03 0.01 -0.03 -0.04 1.64 1.62 1pj2B1 LEU 1332 HG 0.03 0.01 0.04 -0.04 1.64 1.68 1pj2B1 LEU 1332 HD13 0.05 0.03 -0.13 -0.04 0.93 0.83 1pj2B1 LEU 1332 HD23 0.03 -0.04 -0.02 -0.04 0.89 0.82 1pj2B1 SER 1333 H 0.02 0.00 0.18 -0.55 8.46 8.12 1pj2B1 SER 1333 HA 0.02 0.29 0.84 -0.75 4.49 4.88 1pj2B1 SER 1333 HB2 0.00 -0.05 0.18 -0.04 3.95 4.04 1pj2B1 SER 1333 HB3 0.01 0.11 0.11 -0.04 3.93 4.11 1pj2B1 GLU 1334 H 0.01 0.16 0.18 -0.55 8.60 8.41 1pj2B1 GLU 1334 HA 0.02 0.23 0.42 -0.75 4.29 4.21 1pj2B1 GLU 1334 HB2 0.01 0.09 0.15 -0.04 2.09 2.29 1pj2B1 GLU 1334 HB3 -0.01 -0.08 0.13 -0.04 1.99 2.00 1pj2B1 GLU 1334 HG2 -0.05 -0.01 -0.13 -0.04 2.34 2.11 1pj2B1 GLU 1334 HG3 -0.00 0.07 0.08 -0.04 2.34 2.45 1pj2B1 GLN 1335 H -0.01 0.05 -0.09 -0.55 8.47 7.87 1pj2B1 GLN 1335 HA -0.04 0.16 0.46 -0.75 4.36 4.19 1pj2B1 GLN 1335 HB2 -0.03 -0.01 0.10 -0.04 2.15 2.17 1pj2B1 GLN 1335 HB3 -0.02 -0.05 0.07 -0.04 2.02 1.98 1pj2B1 GLN 1335 HG2 -0.02 -0.03 -0.02 -0.04 2.40 2.29 1pj2B1 GLN 1335 HG3 -0.02 0.05 -0.19 -0.04 2.39 2.19 1pj2B1 GLN 1335 HE21 -0.05 0.03 0.00 -0.04 6.97 6.91 1pj2B1 GLN 1335 HE22 -0.04 -0.05 0.01 -0.04 7.69 7.57 1pj2B1 GLU 1336 H -0.00 0.04 -0.19 -0.55 8.60 7.90 1pj2B1 GLU 1336 HA -0.01 0.13 0.54 -0.75 4.29 4.19 1pj2B1 GLU 1336 HB2 0.01 0.08 0.10 -0.04 2.09 2.24 1pj2B1 GLU 1336 HB3 0.00 -0.05 0.07 -0.04 1.99 1.97 1pj2B1 GLU 1336 HG2 0.01 -0.05 0.10 -0.04 2.34 2.36 1pj2B1 GLU 1336 HG3 0.02 0.14 -0.01 -0.04 2.34 2.45 1pj2B1 ALA 1337 H 0.02 0.18 -0.41 -0.55 8.40 7.65 1pj2B1 ALA 1337 HA 0.07 0.16 0.60 -0.75 4.34 4.41 1pj2B1 ALA 1337 HB3 0.06 0.03 0.05 -0.04 1.41 1.51 1pj2B1 GLN 1338 H 0.02 0.49 0.07 -0.55 8.47 8.50 1pj2B1 GLN 1338 HA 0.19 0.00 0.31 -0.75 4.36 4.11 1pj2B1 GLN 1338 HB2 -0.11 0.02 0.12 -0.04 2.15 2.14 1pj2B1 GLN 1338 HB3 -0.48 0.20 0.13 -0.04 2.02 1.83 1pj2B1 GLN 1338 HG2 -0.21 -0.08 0.04 -0.04 2.40 2.11 1pj2B1 GLN 1338 HG3 -0.06 0.35 0.25 -0.04 2.39 2.88 1pj2B1 GLN 1338 HE21 -0.15 -0.14 -0.02 -0.04 6.97 6.62 1pj2B1 GLN 1338 HE22 -0.12 0.07 0.04 -0.04 7.69 7.64 1pj2B1 LYS 1339 H 0.02 0.06 -0.90 -0.55 8.42 7.06 1pj2B1 LYS 1339 HA -0.54 0.13 0.61 -0.75 4.32 3.76 1pj2B1 LYS 1339 HB2 -0.07 0.10 0.02 -0.04 1.87 1.87 1pj2B1 LYS 1339 HB3 -0.29 -0.06 0.05 -0.04 1.79 1.45 1pj2B1 LYS 1339 HG2 -0.17 -0.02 -0.03 -0.04 1.46 1.20 1pj2B1 LYS 1339 HG3 -0.05 0.47 0.14 -0.04 1.46 1.98 1pj2B1 LYS 1339 HD2 -0.06 -0.05 -0.01 -0.04 1.69 1.52 1pj2B1 LYS 1339 HD3 -0.14 -0.04 0.01 -0.04 1.68 1.46 1pj2B1 LYS 1339 HE2 -0.04 0.01 -0.06 -0.04 2.99 2.86 1pj2B1 LYS 1339 HE3 -0.04 -0.10 -0.03 -0.04 2.99 2.79 1pj2B1 LYS 1340 H 0.10 0.52 -0.14 -0.55 8.42 8.35 1pj2B1 LYS 1340 HA 0.18 0.01 0.47 -0.75 4.32 4.23 1pj2B1 LYS 1340 HB2 0.15 -0.00 0.09 -0.04 1.87 2.07 1pj2B1 LYS 1340 HB3 0.13 0.17 0.25 -0.04 1.79 2.30 1pj2B1 LYS 1340 HG2 0.08 0.01 0.24 -0.04 1.46 1.74 1pj2B1 LYS 1340 HG3 0.09 -0.04 0.18 -0.04 1.46 1.64 1pj2B1 LYS 1340 HD2 0.08 -0.07 0.01 -0.04 1.69 1.66 1pj2B1 LYS 1340 HD3 0.05 -0.09 0.06 -0.04 1.68 1.67 1pj2B1 LYS 1340 HE2 0.06 -0.05 -0.07 -0.04 2.99 2.88 1pj2B1 LYS 1340 HE3 0.06 -0.08 0.10 -0.04 2.99 3.03 1pj2B1 ILE 1341 H 0.29 0.24 -0.89 -0.55 8.25 7.34 1pj2B1 ILE 1341 HA 0.37 0.19 1.07 -0.75 4.18 5.05 1pj2B1 ILE 1341 HB 0.56 0.10 0.05 -0.04 1.89 2.56 1pj2B1 ILE 1341 HG12 0.27 -0.04 -0.11 -0.04 1.49 1.57 1pj2B1 ILE 1341 HG13 0.26 0.04 -0.48 -0.04 1.21 0.99 1pj2B1 ILE 1341 HG23 0.21 -0.05 -0.17 -0.04 0.93 0.87 1pj2B1 ILE 1341 HD13 0.29 -0.04 -0.11 -0.04 0.88 0.97 1pj2B1 TRP 1342 H 0.54 0.86 0.31 -0.55 7.97 9.14 1pj2B1 TRP 1342 HA 0.25 0.34 0.90 -0.75 4.62 5.36 1pj2B1 TRP 1342 HB2 0.17 0.04 0.13 -0.04 3.23 3.53 1pj2B1 TRP 1342 HB3 0.19 -0.09 0.14 -0.04 3.23 3.43 1pj2B1 TRP 1342 HD1 0.15 0.04 -0.35 -0.04 7.22 7.02 1pj2B1 TRP 1342 HE1 0.05 0.06 -0.05 -0.04 10.20 10.21 1pj2B1 TRP 1342 HE3 0.15 -0.08 0.04 -0.04 7.59 7.67 1pj2B1 TRP 1342 HZ2 0.04 -0.02 -0.03 -0.04 7.44 7.39 1pj2B1 TRP 1342 HZ3 0.11 -0.07 -0.09 -0.04 7.13 7.03 1pj2B1 TRP 1342 HH2 0.09 0.10 -0.09 -0.04 7.19 7.25 1pj2B1 PHE 1344 HA 0.22 -0.00 0.24 -0.75 4.62 4.32 1pj2B1 PHE 1344 HB2 0.33 0.02 -0.01 -0.04 3.15 3.45 1pj2B1 PHE 1344 HB3 0.48 0.03 0.18 -0.04 3.06 3.71 1pj2B1 PHE 1344 HD2 0.17 -0.02 -0.30 -0.04 7.28 7.09 1pj2B1 PHE 1344 HE2 0.12 0.05 -0.25 -0.04 7.38 7.26 1pj2B1 PHE 1344 HZ 0.14 0.07 -0.22 -0.04 7.32 7.27 1pj2B1 ASP 1345 H -0.03 0.40 0.14 -0.55 8.40 8.36 1pj2B1 ASP 1345 HA 0.15 0.08 0.91 -0.75 4.63 5.01 1pj2B1 ASP 1345 HB2 0.02 -0.17 0.22 -0.04 2.71 2.73 1pj2B1 ASP 1345 HB3 0.07 0.07 0.00 -0.04 2.70 2.81 1pj2B1 LYS 1346 H -0.09 0.10 0.17 -0.55 8.42 8.06 1pj2B1 LYS 1346 HA -0.01 0.12 0.36 -0.75 4.32 4.03 1pj2B1 LYS 1346 HB2 -0.23 0.06 0.17 -0.04 1.87 1.83 1pj2B1 LYS 1346 HB3 -0.17 -0.03 0.17 -0.04 1.79 1.73 1pj2B1 LYS 1346 HG2 -0.61 -0.09 0.03 -0.04 1.46 0.75 1pj2B1 LYS 1346 HG3 -1.52 0.08 -0.33 -0.04 1.46 -0.35 1pj2B1 LYS 1346 HD2 -0.61 0.00 -0.02 -0.04 1.69 1.03 1pj2B1 LYS 1346 HD3 -0.31 0.05 0.02 -0.04 1.68 1.40 1pj2B1 LYS 1346 HE2 -0.10 0.01 0.03 -0.04 2.99 2.89 1pj2B1 LYS 1346 HE3 -0.14 0.02 0.06 -0.04 2.99 2.88 1pj2B1 TYR 1347 H -0.07 -0.06 -0.76 -0.55 8.29 6.85 1pj2B1 TYR 1347 HA -0.03 0.23 0.91 -0.75 4.56 4.91 1pj2B1 TYR 1347 HB2 -0.05 0.01 -0.03 -0.04 3.06 2.95 1pj2B1 TYR 1347 HB3 -0.04 -0.00 0.13 -0.04 2.98 3.03 1pj2B1 TYR 1347 HD2 -0.01 0.06 -0.01 -0.04 7.15 7.15 1pj2B1 TYR 1347 HE2 0.00 -0.01 -0.02 -0.04 6.85 6.79 1pj2B1 GLY 1348 H -0.35 0.54 -0.11 -0.55 8.43 7.96 1pj2B1 GLY 1348 HA2 -1.38 0.02 0.21 -0.51 4.01 2.35 1pj2B1 GLY 1348 HA3 -0.31 0.23 0.79 -0.51 4.01 4.21 1pj2B1 LEU 1349 H -0.25 0.21 0.12 -0.55 8.37 7.90 1pj2B1 LEU 1349 HA 0.08 0.06 0.50 -0.75 4.35 4.23 1pj2B1 LEU 1349 HB2 0.24 -0.03 0.13 -0.04 1.64 1.94 1pj2B1 LEU 1349 HB3 0.14 -0.01 0.11 -0.04 1.64 1.83 1pj2B1 LEU 1349 HG 0.44 0.08 -0.28 -0.04 1.64 1.84 1pj2B1 LEU 1349 HD13 0.59 -0.01 0.08 -0.04 0.93 1.55 1pj2B1 LEU 1349 HD23 0.20 0.00 0.02 -0.04 0.89 1.07 1pj2B1 LEU 1350 H 0.17 0.19 0.23 -0.55 8.37 8.42 1pj2B1 LEU 1350 HA 0.03 0.05 0.59 -0.75 4.35 4.27 1pj2B1 LEU 1350 HB2 0.08 0.09 0.24 -0.04 1.64 2.01 1pj2B1 LEU 1350 HB3 0.02 0.01 -0.00 -0.04 1.64 1.63 1pj2B1 LEU 1350 HG 0.04 -0.01 -0.00 -0.04 1.64 1.63 1pj2B1 LEU 1350 HD13 0.10 0.01 -0.03 -0.04 0.93 0.97 1pj2B1 LEU 1350 HD23 0.04 -0.02 -0.05 -0.04 0.89 0.82 1pj2B1 VAL 1351 H 0.04 0.21 0.17 -0.55 8.24 8.11 1pj2B1 VAL 1351 HA 0.00 0.36 0.87 -0.75 4.13 4.61 1pj2B1 VAL 1351 HB 0.11 0.00 0.03 -0.04 2.12 2.22 1pj2B1 VAL 1351 HG13 0.28 0.00 -0.34 -0.04 0.97 0.87 1pj2B1 VAL 1351 HG23 0.06 0.01 -0.10 -0.04 0.95 0.88 1pj2B1 LYS 1352 H -0.02 0.50 -0.13 -0.55 8.42 8.22 1pj2B1 LYS 1352 HA -0.03 -0.01 0.32 -0.75 4.32 3.85 1pj2B1 LYS 1352 HB2 -0.00 -0.08 -0.00 -0.04 1.87 1.74 1pj2B1 LYS 1352 HB3 -0.02 -0.04 -0.02 -0.04 1.79 1.68 1pj2B1 LYS 1352 HG2 -0.05 0.02 0.00 -0.04 1.46 1.39 1pj2B1 LYS 1352 HG3 -0.05 0.15 -0.32 -0.04 1.46 1.19 1pj2B1 LYS 1352 HD2 -0.01 -0.10 -0.06 -0.04 1.69 1.49 1pj2B1 LYS 1352 HD3 -0.02 -0.06 -0.02 -0.04 1.68 1.54 1pj2B1 LYS 1352 HE2 -0.02 0.03 0.12 -0.04 2.99 3.08 1pj2B1 LYS 1352 HE3 -0.01 -0.08 0.02 -0.04 2.99 2.88 1pj2B1 GLY 1353 H -0.02 0.10 0.17 -0.55 8.43 8.13 1pj2B1 GLY 1353 HA2 -0.01 -0.02 0.34 -0.51 4.01 3.81 1pj2B1 GLY 1353 HA3 -0.00 0.04 0.43 -0.51 4.01 3.97 1pj2B1 ARG 1354 H -0.01 0.34 -0.19 -0.55 8.46 8.04 1pj2B1 ARG 1354 HA -0.00 0.05 0.46 -0.75 4.34 4.09 1pj2B1 ARG 1354 HB2 -0.01 -0.14 0.16 -0.04 1.90 1.87 1pj2B1 ARG 1354 HB3 0.01 0.07 0.10 -0.04 1.80 1.95 1pj2B1 ARG 1354 HG2 -0.01 0.21 0.05 -0.04 1.67 1.88 1pj2B1 ARG 1354 HG3 -0.03 0.10 -0.27 -0.04 1.67 1.44 1pj2B1 ARG 1354 HD2 -0.00 0.02 -0.01 -0.04 3.22 3.19 1pj2B1 ARG 1354 HD3 0.01 -0.20 0.14 -0.04 3.22 3.14 1pj2B1 LYS 1355 H -0.03 0.09 0.15 -0.55 8.42 8.08 1pj2B1 LYS 1355 HA -0.05 0.13 0.49 -0.75 4.32 4.13 1pj2B1 LYS 1355 HB2 -0.05 -0.01 0.18 -0.04 1.87 1.94 1pj2B1 LYS 1355 HB3 -0.09 -0.03 -0.04 -0.04 1.79 1.58 1pj2B1 LYS 1355 HG2 -0.04 0.02 0.04 -0.04 1.46 1.45 1pj2B1 LYS 1355 HG3 -0.02 0.03 0.05 -0.04 1.46 1.47 1pj2B1 LYS 1355 HD2 -0.03 0.00 0.03 -0.04 1.69 1.65 1pj2B1 LYS 1355 HD3 -0.04 -0.03 0.01 -0.04 1.68 1.57 1pj2B1 LYS 1355 HE2 -0.01 0.02 0.02 -0.04 2.99 2.98 1pj2B1 LYS 1355 HE3 -0.02 -0.03 0.01 -0.04 2.99 2.92 1pj2B1 ALA 1356 H -0.09 0.05 -0.03 -0.55 8.40 7.78 1pj2B1 ALA 1356 HA -0.28 -0.03 0.43 -0.75 4.34 3.72 1pj2B1 ALA 1356 HB3 -0.19 0.01 0.04 -0.04 1.41 1.22 1pj2B1 LYS 1357 H -0.14 -0.01 0.13 -0.55 8.42 7.85 1pj2B1 LYS 1357 HA -0.05 0.13 0.31 -0.75 4.32 3.96 1pj2B1 LYS 1357 HB2 -0.01 -0.08 -0.05 -0.04 1.87 1.69 1pj2B1 LYS 1357 HB3 -0.03 -0.01 0.04 -0.04 1.79 1.75 1pj2B1 LYS 1357 HG2 -0.07 0.10 0.07 -0.04 1.46 1.52 1pj2B1 LYS 1357 HG3 -0.10 -0.05 0.14 -0.04 1.46 1.41 1pj2B1 LYS 1357 HD2 -0.01 -0.06 0.00 -0.04 1.69 1.58 1pj2B1 LYS 1357 HD3 -0.03 0.01 0.01 -0.04 1.68 1.63 1pj2B1 LYS 1357 HE2 -0.04 -0.01 0.03 -0.04 2.99 2.92 1pj2B1 LYS 1357 HE3 -0.02 -0.03 0.01 -0.04 2.99 2.91 1pj2B1 ILE 1358 H -0.03 0.17 0.01 -0.55 8.25 7.86 1pj2B1 ILE 1358 HA -0.01 0.11 0.74 -0.75 4.18 4.26 1pj2B1 ILE 1358 HB -0.04 -0.03 0.10 -0.04 1.89 1.88 1pj2B1 ILE 1358 HG12 -0.02 0.14 -0.56 -0.04 1.49 1.01 1pj2B1 ILE 1358 HG13 -0.03 -0.00 -0.16 -0.04 1.21 0.97 1pj2B1 ILE 1358 HG23 -0.04 0.03 -0.23 -0.04 0.93 0.66 1pj2B1 ILE 1358 HD13 -0.00 0.02 -0.10 -0.04 0.88 0.76 1pj2B1 ASP 1359 H -0.00 0.11 -0.00 -0.55 8.40 7.95 1pj2B1 ASP 1359 HA -0.03 0.12 0.37 -0.75 4.63 4.33 1pj2B1 ASP 1359 HB2 0.02 -0.04 0.15 -0.04 2.71 2.80 1pj2B1 ASP 1359 HB3 0.02 0.04 0.09 -0.04 2.70 2.80 1pj2B1 SER 1360 H -0.12 0.12 0.17 -0.55 8.46 8.08 1pj2B1 SER 1360 HA -0.15 0.16 0.41 -0.75 4.49 4.17 1pj2B1 SER 1360 HB2 -0.32 0.10 0.05 -0.04 3.95 3.74 1pj2B1 SER 1360 HB3 -0.20 0.03 0.14 -0.04 3.93 3.85 1pj2B1 TYR 1361 H -0.16 -0.03 -0.18 -0.55 8.29 7.37 1pj2B1 TYR 1361 HA -0.09 0.18 0.43 -0.75 4.56 4.32 1pj2B1 TYR 1361 HB2 -0.39 -0.05 -0.04 -0.04 3.06 2.54 1pj2B1 TYR 1361 HB3 -0.21 0.10 0.01 -0.04 2.98 2.84 1pj2B1 TYR 1361 HD2 -0.27 0.01 -0.01 -0.04 7.15 6.84 1pj2B1 TYR 1361 HE2 -0.09 0.01 -0.02 -0.04 6.85 6.71 1pj2B1 GLN 1362 H 0.01 0.03 -0.42 -0.55 8.47 7.54 1pj2B1 GLN 1362 HA 0.14 0.17 0.51 -0.75 4.36 4.43 1pj2B1 GLN 1362 HB2 -0.00 0.00 -0.06 -0.04 2.15 2.05 1pj2B1 GLN 1362 HB3 0.02 0.07 -0.07 -0.04 2.02 2.00 1pj2B1 GLN 1362 HG2 0.00 0.11 -0.02 -0.04 2.40 2.45 1pj2B1 GLN 1362 HG3 -0.00 -0.15 -0.06 -0.04 2.39 2.13 1pj2B1 GLN 1362 HE21 0.03 0.08 -0.00 -0.04 6.97 7.04 1pj2B1 GLN 1362 HE22 0.00 -0.11 0.06 -0.04 7.69 7.60 1pj2B1 GLU 1363 H -0.06 0.26 -0.26 -0.55 8.60 7.99 1pj2B1 GLU 1363 HA -0.09 -0.00 0.31 -0.75 4.29 3.75 1pj2B1 GLU 1363 HB2 -0.09 -0.02 0.07 -0.04 2.09 2.01 1pj2B1 GLU 1363 HB3 -0.11 0.15 0.10 -0.04 1.99 2.09 1pj2B1 GLU 1363 HG2 -0.09 -0.01 0.01 -0.04 2.34 2.21 1pj2B1 GLU 1363 HG3 -0.09 -0.07 -0.01 -0.04 2.34 2.14 1pj2B1 PRO 1364 HA -0.29 0.03 0.34 -0.51 4.44 4.00 1pj2B1 PRO 1364 HB2 -0.83 0.08 -0.07 -0.04 2.28 1.42 1pj2B1 PRO 1364 HB3 -0.42 -0.01 0.07 -0.04 2.02 1.61 1pj2B1 PRO 1364 HG2 -0.14 0.02 0.02 -0.04 2.03 1.89 1pj2B1 PRO 1364 HG3 -0.17 -0.04 0.02 -0.04 2.03 1.79 1pj2B1 PRO 1364 HD2 -0.05 0.30 -0.47 -0.04 3.68 3.41 1pj2B1 PRO 1364 HD3 -0.12 0.15 0.01 -0.04 3.65 3.65 1pj2B1 PHE 1365 H -0.14 0.44 -0.59 -0.55 8.34 7.50 1pj2B1 PHE 1365 HA -0.41 0.36 0.93 -0.75 4.62 4.74 1pj2B1 PHE 1365 HB2 -0.14 -0.07 0.02 -0.04 3.15 2.92 1pj2B1 PHE 1365 HB3 -0.14 0.05 0.12 -0.04 3.06 3.04 1pj2B1 PHE 1365 HD2 -0.03 0.14 0.01 -0.04 7.28 7.36 1pj2B1 PHE 1365 HE2 0.02 0.01 -0.07 -0.04 7.38 7.30 1pj2B1 PHE 1365 HZ 0.02 -0.02 -0.27 -0.04 7.32 7.01 1pj2B1 THR 1366 H -0.29 0.52 -0.10 -0.55 8.28 7.86 1pj2B1 THR 1366 HA -0.26 0.26 0.80 -0.75 4.39 4.43 1pj2B1 THR 1366 HB -0.14 0.04 0.16 -0.04 4.32 4.35 1pj2B1 THR 1366 HG23 -0.07 -0.05 -0.48 -0.04 1.22 0.58 1pj2B1 HIS 1367 H -0.64 0.33 0.13 -0.55 8.41 7.68 1pj2B1 HIS 1367 HA -0.20 0.10 0.67 -0.75 4.63 4.45 1pj2B1 HIS 1367 HB2 -1.08 0.04 0.02 -0.04 3.26 2.21 1pj2B1 HIS 1367 HB3 -0.30 -0.09 0.11 -0.04 3.20 2.88 1pj2B1 HIS 1367 HD2 -1.93 -0.05 0.04 -0.04 6.97 4.99 1pj2B1 HIS 1367 HE1 -0.20 -0.01 -0.31 -0.04 7.75 7.18 1pj2B1 SER 1368 H 0.05 0.12 0.13 -0.55 8.46 8.21 1pj2B1 SER 1368 HA 0.05 -0.05 0.46 -0.75 4.49 4.19 1pj2B1 SER 1368 HB2 0.08 0.03 0.07 -0.04 3.95 4.09 1pj2B1 SER 1368 HB3 0.06 0.05 0.02 -0.04 3.93 4.01 1pj2B1 ALA 1369 H 0.09 0.07 0.15 -0.55 8.40 8.16 1pj2B1 ALA 1369 HA 0.22 0.05 0.31 -0.75 4.34 4.17 1pj2B1 ALA 1369 HB3 0.08 -0.00 0.03 -0.04 1.41 1.47 1pj2B1 PRO 1370 HA 0.13 0.11 0.46 -0.51 4.44 4.63 1pj2B1 PRO 1370 HB2 -0.00 0.14 0.08 -0.04 2.28 2.46 1pj2B1 PRO 1370 HB3 -0.03 0.00 0.13 -0.04 2.02 2.08 1pj2B1 PRO 1370 HG2 -0.13 -0.01 0.07 -0.04 2.03 1.92 1pj2B1 PRO 1370 HG3 0.24 0.13 0.04 -0.04 2.03 2.39 1pj2B1 PRO 1370 HD2 0.15 0.07 0.15 -0.04 3.68 4.01 1pj2B1 PRO 1370 HD3 0.41 0.11 0.12 -0.04 3.65 4.25 1pj2B1 GLU 1371 H 0.02 0.14 0.13 -0.55 8.60 8.35 1pj2B1 GLU 1371 HA 0.03 0.05 0.34 -0.75 4.29 3.94 1pj2B1 GLU 1371 HB2 0.01 0.03 0.15 -0.04 2.09 2.24 1pj2B1 GLU 1371 HB3 -0.00 -0.01 0.00 -0.04 1.99 1.94 1pj2B1 GLU 1371 HG2 0.00 -0.00 0.02 -0.04 2.34 2.31 1pj2B1 GLU 1371 HG3 0.01 -0.03 0.01 -0.04 2.34 2.28 1pj2B1 SER 1372 H 0.00 0.12 -0.26 -0.55 8.46 7.78 1pj2B1 SER 1372 HA 0.01 0.16 0.78 -0.75 4.49 4.69 1pj2B1 SER 1372 HB2 -0.02 -0.01 -0.07 -0.04 3.95 3.81 1pj2B1 SER 1372 HB3 0.00 -0.03 -0.07 -0.04 3.93 3.79 1pj2B1 ILE 1373 H 0.03 0.12 0.04 -0.55 8.25 7.88 1pj2B1 ILE 1373 HA 0.06 0.27 0.80 -0.75 4.18 4.55 1pj2B1 ILE 1373 HB 0.04 -0.07 0.13 -0.04 1.89 1.94 1pj2B1 ILE 1373 HG12 0.04 -0.00 -0.14 -0.04 1.49 1.34 1pj2B1 ILE 1373 HG13 0.04 -0.03 -0.04 -0.04 1.21 1.14 1pj2B1 ILE 1373 HG23 0.05 0.01 -0.14 -0.04 0.93 0.81 1pj2B1 ILE 1373 HD13 0.07 0.05 -0.12 -0.04 0.88 0.83 1pj2B1 PRO 1374 HA 0.05 -0.10 0.32 -0.51 4.44 4.19 1pj2B1 PRO 1374 HB2 0.25 -0.03 0.11 -0.04 2.28 2.57 1pj2B1 PRO 1374 HB3 0.09 -0.06 -0.00 -0.04 2.02 2.00 1pj2B1 PRO 1374 HG2 0.02 0.10 0.09 -0.04 2.03 2.20 1pj2B1 PRO 1374 HG3 -0.03 0.04 -0.03 -0.04 2.03 1.97 1pj2B1 PRO 1374 HD2 0.09 0.07 0.21 -0.04 3.68 4.01 1pj2B1 PRO 1374 HD3 0.03 0.54 0.31 -0.04 3.65 4.49 1pj2B1 ASP 1375 H 0.07 0.04 0.23 -0.55 8.40 8.19 1pj2B1 ASP 1375 HA 0.11 0.16 0.56 -0.75 4.63 4.71 1pj2B1 ASP 1375 HB2 0.05 0.09 0.16 -0.04 2.71 2.97 1pj2B1 ASP 1375 HB3 0.06 -0.12 0.17 -0.04 2.70 2.77 1pj2B1 THR 1376 H 0.09 -0.00 0.10 -0.55 8.28 7.92 1pj2B1 THR 1376 HA 0.26 0.33 0.85 -0.75 4.39 5.08 1pj2B1 THR 1376 HB 0.06 -0.04 0.18 -0.04 4.32 4.48 1pj2B1 THR 1376 HG23 0.08 0.04 -0.12 -0.04 1.22 1.18 1pj2B1 PHE 1377 H -0.03 0.22 0.13 -0.55 8.34 8.11 1pj2B1 PHE 1377 HA -0.87 0.16 0.37 -0.75 4.62 3.53 1pj2B1 PHE 1377 HB2 -0.61 0.02 0.08 -0.04 3.15 2.60 1pj2B1 PHE 1377 HB3 -0.22 0.02 0.06 -0.04 3.06 2.89 1pj2B1 PHE 1377 HD2 -0.56 -0.00 -0.10 -0.04 7.28 6.58 1pj2B1 PHE 1377 HE2 -0.22 0.13 -0.18 -0.04 7.38 7.07 1pj2B1 PHE 1377 HZ -0.07 0.09 -0.19 -0.04 7.32 7.11 1pj2B1 GLU 1378 H -0.05 0.02 -0.16 -0.55 8.60 7.87 1pj2B1 GLU 1378 HA -0.18 0.20 0.45 -0.75 4.29 4.01 1pj2B1 GLU 1378 HB2 -0.02 -0.02 0.04 -0.04 2.09 2.05 1pj2B1 GLU 1378 HB3 -0.04 -0.07 0.02 -0.04 1.99 1.86 1pj2B1 GLU 1378 HG2 -0.08 0.05 -0.22 -0.04 2.34 2.05 1pj2B1 GLU 1378 HG3 -0.07 0.07 -0.21 -0.04 2.34 2.09 1pj2B1 ASP 1379 H -0.08 -0.02 -0.25 -0.55 8.40 7.49 1pj2B1 ASP 1379 HA -0.09 0.11 0.40 -0.75 4.63 4.30 1pj2B1 ASP 1379 HB2 -0.00 0.00 0.18 -0.04 2.71 2.85 1pj2B1 ASP 1379 HB3 -0.02 0.07 0.04 -0.04 2.70 2.74 1pj2B1 ALA 1380 H -0.18 0.43 -0.14 -0.55 8.40 7.97 1pj2B1 ALA 1380 HA -0.12 0.00 0.35 -0.75 4.34 3.82 1pj2B1 ALA 1380 HB3 -0.17 0.05 0.04 -0.04 1.41 1.28 1pj2B1 VAL 1381 H -0.41 0.21 -0.64 -0.55 8.24 6.85 1pj2B1 VAL 1381 HA -0.33 0.09 0.42 -0.75 4.13 3.57 1pj2B1 VAL 1381 HB -0.27 0.08 0.13 -0.04 2.12 2.02 1pj2B1 VAL 1381 HG13 -0.22 0.03 -0.04 -0.04 0.97 0.70 1pj2B1 VAL 1381 HG23 -0.67 0.10 0.08 -0.04 0.95 0.42 1pj2B1 ASN 1382 H -0.18 0.25 -0.03 -0.55 8.53 8.03 1pj2B1 ASN 1382 HA -0.12 0.16 0.54 -0.75 4.76 4.59 1pj2B1 ASN 1382 HB2 -0.10 -0.06 0.17 -0.04 2.88 2.85 1pj2B1 ASN 1382 HB3 -0.08 -0.01 -0.00 -0.04 2.79 2.66 1pj2B1 ASN 1382 HD21 -0.08 -0.07 -0.07 -0.04 7.03 6.77 1pj2B1 ASN 1382 HD22 -0.08 -0.12 -0.06 -0.04 7.74 7.45 1pj2B1 ILE 1383 H -0.13 0.46 0.02 -0.55 8.25 8.04 1pj2B1 ILE 1383 HA -0.10 0.01 0.38 -0.75 4.18 3.71 1pj2B1 ILE 1383 HB -0.14 -0.01 0.10 -0.04 1.89 1.80 1pj2B1 ILE 1383 HG12 -0.05 -0.07 -0.13 -0.04 1.49 1.19 1pj2B1 ILE 1383 HG13 -0.06 -0.01 -0.03 -0.04 1.21 1.06 1pj2B1 ILE 1383 HG23 -0.13 0.02 -0.15 -0.04 0.93 0.63 1pj2B1 ILE 1383 HD13 -0.07 -0.00 -0.01 -0.04 0.88 0.76 1pj2B1 LEU 1384 H -0.24 0.37 -0.07 -0.55 8.37 7.88 1pj2B1 LEU 1384 HA -0.33 0.03 0.43 -0.75 4.35 3.72 1pj2B1 LEU 1384 HB2 -0.36 0.22 0.10 -0.04 1.64 1.56 1pj2B1 LEU 1384 HB3 -0.58 -0.00 -0.03 -0.04 1.64 0.98 1pj2B1 LEU 1384 HG -1.05 -0.01 0.00 -0.04 1.64 0.54 1pj2B1 LEU 1384 HD13 -0.29 -0.03 0.09 -0.04 0.93 0.66 1pj2B1 LEU 1384 HD23 -0.67 -0.02 -0.00 -0.04 0.89 0.16 1pj2B1 LYS 1385 H -0.19 0.14 -0.54 -0.55 8.42 7.29 1pj2B1 LYS 1385 HA -0.14 0.24 0.40 -0.75 4.32 4.06 1pj2B1 LYS 1385 HB2 -0.10 0.04 -0.14 -0.04 1.87 1.63 1pj2B1 LYS 1385 HB3 -0.09 -0.06 0.16 -0.04 1.79 1.76 1pj2B1 LYS 1385 HG2 -0.10 -0.07 0.10 -0.04 1.46 1.36 1pj2B1 LYS 1385 HG3 -0.11 0.34 -0.14 -0.04 1.46 1.51 1pj2B1 LYS 1385 HD2 -0.07 -0.05 -0.02 -0.04 1.69 1.51 1pj2B1 LYS 1385 HD3 -0.07 -0.04 0.03 -0.04 1.68 1.57 1pj2B1 LYS 1385 HE2 -0.07 0.07 0.04 -0.04 2.99 2.99 1pj2B1 LYS 1385 HE3 -0.05 -0.13 0.02 -0.04 2.99 2.78 1pj2B1 PRO 1386 HA -0.06 0.09 0.54 -0.51 4.44 4.50 1pj2B1 PRO 1386 HB2 -0.06 0.02 0.07 -0.04 2.28 2.27 1pj2B1 PRO 1386 HB3 -0.07 -0.02 -0.11 -0.04 2.02 1.78 1pj2B1 PRO 1386 HG2 -0.15 0.00 -0.08 -0.04 2.03 1.77 1pj2B1 PRO 1386 HG3 -0.17 -0.07 -0.05 -0.04 2.03 1.69 1pj2B1 PRO 1386 HD2 -0.19 0.21 0.23 -0.04 3.68 3.90 1pj2B1 PRO 1386 HD3 -0.21 0.03 -0.08 -0.04 3.65 3.35 1pj2B1 SER 1387 H -0.00 0.24 0.37 -0.55 8.46 8.51 1pj2B1 SER 1387 HA -0.07 0.22 0.77 -0.75 4.49 4.66 1pj2B1 SER 1387 HB2 -0.16 0.02 0.16 -0.04 3.95 3.93 1pj2B1 SER 1387 HB3 -0.09 0.06 0.12 -0.04 3.93 3.98 1pj2B1 THR 1388 H -0.02 0.32 0.09 -0.55 8.28 8.13 1pj2B1 THR 1388 HA -0.10 0.17 0.95 -0.75 4.39 4.65 1pj2B1 THR 1388 HB -0.08 -0.04 0.01 -0.04 4.32 4.16 1pj2B1 THR 1388 HG23 -0.37 -0.02 -0.24 -0.04 1.22 0.56 1pj2B1 ILE 1389 H -0.14 0.97 0.33 -0.55 8.25 8.86 1pj2B1 ILE 1389 HA -0.04 0.27 1.03 -0.75 4.18 4.68 1pj2B1 ILE 1389 HB -0.16 0.08 -0.06 -0.04 1.89 1.71 1pj2B1 ILE 1389 HG12 -0.56 -0.09 -0.11 -0.04 1.49 0.69 1pj2B1 ILE 1389 HG13 0.08 -0.04 -0.07 -0.04 1.21 1.14 1pj2B1 ILE 1389 HG23 -0.15 0.02 0.06 -0.04 0.93 0.82 1pj2B1 ILE 1389 HD13 0.05 0.03 -0.05 -0.04 0.88 0.86 1pj2B1 ILE 1390 H -0.01 0.72 0.34 -0.55 8.25 8.75 1pj2B1 ILE 1390 HA 0.18 0.18 1.16 -0.75 4.18 4.94 1pj2B1 ILE 1390 HB -0.57 0.02 0.08 -0.04 1.89 1.38 1pj2B1 ILE 1390 HG12 -0.16 0.02 -0.14 -0.04 1.49 1.17 1pj2B1 ILE 1390 HG13 -0.36 0.02 -0.48 -0.04 1.21 0.34 1pj2B1 ILE 1390 HG23 0.22 -0.04 -0.18 -0.04 0.93 0.89 1pj2B1 ILE 1390 HD13 -0.29 0.00 -0.16 -0.04 0.88 0.40 1pj2B1 GLY 1391 H 0.13 1.16 0.50 -0.55 8.43 9.68 1pj2B1 GLY 1391 HA2 -0.05 0.15 1.02 -0.51 4.01 4.62 1pj2B1 GLY 1391 HA3 -0.58 -0.06 0.49 -0.51 4.01 3.34 1pj2B1 VAL 1392 H -0.00 0.65 0.21 -0.55 8.24 8.55 1pj2B1 VAL 1392 HA -0.01 -0.04 0.59 -0.75 4.13 3.92 1pj2B1 VAL 1392 HB 0.10 0.14 -0.24 -0.04 2.12 2.07 1pj2B1 VAL 1392 HG13 0.16 0.02 -0.10 -0.04 0.97 1.01 1pj2B1 VAL 1392 HG23 0.04 -0.04 0.02 -0.04 0.95 0.93 1pj2B1 ALA 1393 H -0.07 0.08 0.15 -0.55 8.40 8.01 1pj2B1 ALA 1393 HA -0.00 0.14 0.92 -0.75 4.34 4.65 1pj2B1 ALA 1393 HB3 -0.03 0.05 -0.05 -0.04 1.41 1.34 1pj2B1 GLY 1394 H -0.04 -0.03 0.05 -0.55 8.43 7.85 1pj2B1 GLY 1394 HA2 -0.04 0.05 0.30 -0.51 4.01 3.82 1pj2B1 GLY 1394 HA3 -0.03 0.04 0.35 -0.51 4.01 3.87 1pj2B1 ALA 1395 H -0.05 -0.08 -0.27 -0.55 8.40 7.45 1pj2B1 ALA 1395 HA -0.02 0.27 1.01 -0.75 4.34 4.84 1pj2B1 ALA 1395 HB3 -0.03 0.00 -0.01 -0.04 1.41 1.33 1pj2B1 GLY 1396 H -0.05 0.16 0.03 -0.55 8.43 8.02 1pj2B1 GLY 1396 HA2 -0.01 0.16 0.20 -0.51 4.01 3.85 1pj2B1 GLY 1396 HA3 -0.01 0.23 0.95 -0.51 4.01 4.67 1pj2B1 ARG 1397 H 0.01 0.15 0.06 -0.55 8.46 8.13 1pj2B1 ARG 1397 HA 0.02 0.29 0.38 -0.75 4.34 4.27 1pj2B1 ARG 1397 HB2 0.02 -0.03 0.19 -0.04 1.90 2.04 1pj2B1 ARG 1397 HB3 0.03 -0.02 0.09 -0.04 1.80 1.86 1pj2B1 ARG 1397 HG2 0.03 0.04 0.02 -0.04 1.67 1.72 1pj2B1 ARG 1397 HG3 0.03 -0.03 0.02 -0.04 1.67 1.65 1pj2B1 ARG 1397 HD2 0.04 -0.08 -0.07 -0.04 3.22 3.06 1pj2B1 ARG 1397 HD3 0.04 0.11 -0.15 -0.04 3.22 3.18 1pj2B1 LEU 1398 H -0.04 0.44 0.41 -0.55 8.37 8.63 1pj2B1 LEU 1398 HA 0.05 0.14 0.77 -0.75 4.35 4.55 1pj2B1 LEU 1398 HB2 -0.09 0.05 0.03 -0.04 1.64 1.59 1pj2B1 LEU 1398 HB3 -0.06 -0.03 -0.00 -0.04 1.64 1.51 1pj2B1 LEU 1398 HG 0.01 -0.05 -0.02 -0.04 1.64 1.55 1pj2B1 LEU 1398 HD13 0.00 0.05 -0.44 -0.04 0.93 0.50 1pj2B1 LEU 1398 HD23 -0.04 -0.01 -0.11 -0.04 0.89 0.69 1pj2B1 PHE 1399 H 0.14 0.36 0.02 -0.55 8.34 8.31 1pj2B1 PHE 1399 HA 0.06 0.12 0.59 -0.75 4.62 4.64 1pj2B1 PHE 1399 HB2 0.04 -0.03 -0.23 -0.04 3.15 2.88 1pj2B1 PHE 1399 HB3 0.05 0.07 -0.03 -0.04 3.06 3.11 1pj2B1 PHE 1399 HD2 -0.03 -0.00 -0.31 -0.04 7.28 6.90 1pj2B1 PHE 1399 HE2 -0.28 0.06 -0.20 -0.04 7.38 6.91 1pj2B1 PHE 1399 HZ -0.01 0.01 -0.50 -0.04 7.32 6.78 1pj2B1 THR 1400 H 0.14 0.35 -0.64 -0.55 8.28 7.57 1pj2B1 THR 1400 HA 0.06 0.15 0.28 -0.75 4.39 4.12 1pj2B1 THR 1400 HB 0.04 0.01 0.10 -0.04 4.32 4.42 1pj2B1 THR 1400 HG23 0.06 0.06 0.01 -0.04 1.22 1.31 1pj2B1 PRO 1401 HA -0.01 0.16 0.37 -0.51 4.44 4.45 1pj2B1 PRO 1401 HB2 0.00 -0.05 0.10 -0.04 2.28 2.30 1pj2B1 PRO 1401 HB3 -0.00 0.10 0.08 -0.04 2.02 2.16 1pj2B1 PRO 1401 HG2 0.01 0.05 0.10 -0.04 2.03 2.14 1pj2B1 PRO 1401 HG3 0.00 0.07 0.11 -0.04 2.03 2.17 1pj2B1 PRO 1401 HD2 0.02 0.07 0.19 -0.04 3.68 3.91 1pj2B1 PRO 1401 HD3 0.03 0.17 0.21 -0.04 3.65 4.01 1pj2B1 ASP 1402 H 0.00 0.09 -0.16 -0.55 8.40 7.78 1pj2B1 ASP 1402 HA -0.02 0.11 0.37 -0.75 4.63 4.34 1pj2B1 ASP 1402 HB2 -0.00 -0.07 0.01 -0.04 2.71 2.60 1pj2B1 ASP 1402 HB3 -0.02 0.06 -0.01 -0.04 2.70 2.68 1pj2B1 VAL 1403 H 0.00 -0.00 -0.35 -0.55 8.24 7.34 1pj2B1 VAL 1403 HA -0.07 0.01 0.34 -0.75 4.13 3.65 1pj2B1 VAL 1403 HB 0.04 0.17 -0.08 -0.04 2.12 2.21 1pj2B1 VAL 1403 HG13 -0.11 0.03 -0.21 -0.04 0.97 0.64 1pj2B1 VAL 1403 HG23 0.10 -0.01 0.01 -0.04 0.95 1.00 1pj2B1 ILE 1404 H -0.02 0.42 -0.31 -0.55 8.25 7.80 1pj2B1 ILE 1404 HA -0.08 0.05 0.29 -0.75 4.18 3.69 1pj2B1 ILE 1404 HB -0.03 0.01 0.02 -0.04 1.89 1.85 1pj2B1 ILE 1404 HG12 0.01 -0.07 -0.17 -0.04 1.49 1.22 1pj2B1 ILE 1404 HG13 0.02 0.19 -0.30 -0.04 1.21 1.08 1pj2B1 ILE 1404 HG23 -0.06 0.01 -0.16 -0.04 0.93 0.68 1pj2B1 ILE 1404 HD13 0.00 -0.03 -0.23 -0.04 0.88 0.58 1pj2B1 ARG 1405 H -0.04 0.50 -0.04 -0.55 8.46 8.33 1pj2B1 ARG 1405 HA -0.04 0.16 0.47 -0.75 4.34 4.18 1pj2B1 ARG 1405 HB2 -0.03 -0.05 0.12 -0.04 1.90 1.90 1pj2B1 ARG 1405 HB3 -0.03 -0.05 0.03 -0.04 1.80 1.71 1pj2B1 ARG 1405 HG2 -0.03 0.08 0.07 -0.04 1.67 1.75 1pj2B1 ARG 1405 HG3 -0.02 0.25 -0.03 -0.04 1.67 1.82 1pj2B1 ARG 1405 HD2 -0.02 -0.05 -0.03 -0.04 3.22 3.08 1pj2B1 ARG 1405 HD3 -0.02 0.02 -0.00 -0.04 3.22 3.18 1pj2B1 ALA 1406 H -0.06 0.57 -0.15 -0.55 8.40 8.22 1pj2B1 ALA 1406 HA -0.07 -0.08 0.19 -0.75 4.34 3.63 1pj2B1 ALA 1406 HB3 -0.10 0.02 0.08 -0.04 1.41 1.37 1pj2B1 ALA 1408 HA -0.05 -0.04 0.36 -0.75 4.34 3.85 1pj2B1 ALA 1408 HB3 -0.04 -0.02 0.17 -0.04 1.41 1.48 1pj2B1 SER 1409 H -0.05 0.65 -0.44 -0.55 8.46 8.08 1pj2B1 SER 1409 HA -0.04 -0.04 0.44 -0.75 4.49 4.10 1pj2B1 SER 1409 HB2 -0.05 0.05 0.07 -0.04 3.95 3.98 1pj2B1 SER 1409 HB3 -0.04 -0.13 0.02 -0.04 3.93 3.75 1pj2B1 ILE 1410 H -0.06 0.67 0.29 -0.55 8.25 8.60 1pj2B1 ILE 1410 HA -0.06 -0.01 0.53 -0.75 4.18 3.89 1pj2B1 ILE 1410 HB -0.08 0.11 0.00 -0.04 1.89 1.87 1pj2B1 ILE 1410 HG12 -0.07 -0.08 0.04 -0.04 1.49 1.33 1pj2B1 ILE 1410 HG13 -0.07 0.01 0.08 -0.04 1.21 1.19 1pj2B1 ILE 1410 HG23 -0.08 -0.03 -0.11 -0.04 0.93 0.67 1pj2B1 ILE 1410 HD13 -0.11 -0.05 0.03 -0.04 0.88 0.71 1pj2B1 ASN 1411 H -0.06 0.28 -0.29 -0.55 8.53 7.92 1pj2B1 ASN 1411 HA -0.06 0.13 0.90 -0.75 4.76 4.99 1pj2B1 ASN 1411 HB2 -0.06 0.05 -0.14 -0.04 2.88 2.68 1pj2B1 ASN 1411 HB3 -0.06 -0.15 -0.18 -0.04 2.79 2.36 1pj2B1 ASN 1411 HD21 -0.08 0.48 -0.07 -0.04 7.03 7.31 1pj2B1 ASN 1411 HD22 -0.08 -0.03 -0.25 -0.04 7.74 7.34 1pj2B1 GLU 1412 H -0.05 0.03 0.11 -0.55 8.60 8.14 1pj2B1 GLU 1412 HA -0.03 0.17 0.66 -0.75 4.29 4.34 1pj2B1 GLU 1412 HB2 -0.03 -0.03 0.11 -0.04 2.09 2.09 1pj2B1 GLU 1412 HB3 -0.03 -0.03 0.13 -0.04 1.99 2.01 1pj2B1 GLU 1412 HG2 -0.01 -0.05 0.02 -0.04 2.34 2.25 1pj2B1 GLU 1412 HG3 -0.01 0.05 -0.02 -0.04 2.34 2.32 1pj2B1 ARG 1413 H -0.04 -0.02 0.00 -0.55 8.46 7.85 1pj2B1 ARG 1413 HA -0.02 0.49 0.84 -0.75 4.34 4.89 1pj2B1 ARG 1413 HB2 -0.02 -0.11 0.21 -0.04 1.90 1.93 1pj2B1 ARG 1413 HB3 -0.00 0.08 0.09 -0.04 1.80 1.93 1pj2B1 ARG 1413 HG2 -0.01 -0.16 -0.14 -0.04 1.67 1.31 1pj2B1 ARG 1413 HG3 0.00 -0.01 -0.04 -0.04 1.67 1.58 1pj2B1 ARG 1413 HD2 -0.01 0.33 -0.23 -0.04 3.22 3.28 1pj2B1 ARG 1413 HD3 0.01 -0.11 -0.08 -0.04 3.22 2.99 1pj2B1 PRO 1414 HA -0.05 0.18 0.58 -0.51 4.44 4.63 1pj2B1 PRO 1414 HB2 -0.06 -0.02 -0.17 -0.04 2.28 1.99 1pj2B1 PRO 1414 HB3 -0.06 0.05 -0.08 -0.04 2.02 1.89 1pj2B1 PRO 1414 HG2 -0.05 -0.18 -0.03 -0.04 2.03 1.74 1pj2B1 PRO 1414 HG3 -0.06 0.17 -0.05 -0.04 2.03 2.05 1pj2B1 PRO 1414 HD2 -0.04 0.23 -0.30 -0.04 3.68 3.53 1pj2B1 PRO 1414 HD3 -0.04 0.19 -0.62 -0.04 3.65 3.14 1pj2B1 VAL 1415 H -0.05 0.52 0.32 -0.55 8.24 8.48 1pj2B1 VAL 1415 HA -0.03 0.21 0.93 -0.75 4.13 4.49 1pj2B1 VAL 1415 HB -0.15 -0.08 0.35 -0.04 2.12 2.19 1pj2B1 VAL 1415 HG13 -0.66 -0.01 -0.15 -0.04 0.97 0.11 1pj2B1 VAL 1415 HG23 0.00 0.04 0.03 -0.04 0.95 0.98 1pj2B1 ILE 1416 H 0.10 0.64 0.17 -0.55 8.25 8.61 1pj2B1 ILE 1416 HA 0.07 0.22 1.07 -0.75 4.18 4.79 1pj2B1 ILE 1416 HB 0.31 -0.06 0.02 -0.04 1.89 2.12 1pj2B1 ILE 1416 HG12 -0.04 0.07 -0.32 -0.04 1.49 1.16 1pj2B1 ILE 1416 HG13 0.01 0.01 -0.61 -0.04 1.21 0.57 1pj2B1 ILE 1416 HG23 0.31 -0.04 -0.20 -0.04 0.93 0.96 1pj2B1 ILE 1416 HD13 -0.03 0.01 -0.14 -0.04 0.88 0.68 1pj2B1 PHE 1417 H 0.26 0.82 0.32 -0.55 8.34 9.18 1pj2B1 PHE 1417 HA -0.19 0.33 1.09 -0.75 4.62 5.11 1pj2B1 PHE 1417 HB2 0.02 0.02 0.28 -0.04 3.15 3.43 1pj2B1 PHE 1417 HB3 -0.02 -0.11 0.01 -0.04 3.06 2.90 1pj2B1 PHE 1417 HD2 -0.04 0.04 -0.44 -0.04 7.28 6.80 1pj2B1 PHE 1417 HE2 -0.02 0.13 -0.17 -0.04 7.38 7.28 1pj2B1 PHE 1417 HZ -0.08 0.04 -0.26 -0.04 7.32 6.98 1pj2B1 ALA 1418 H -0.16 0.63 0.25 -0.55 8.40 8.57 1pj2B1 ALA 1418 HA -0.22 0.04 0.99 -0.75 4.34 4.40 1pj2B1 ALA 1418 HB3 0.07 -0.05 0.24 -0.04 1.41 1.62 1pj2B1 LEU 1419 H -0.02 0.58 0.11 -0.55 8.37 8.49 1pj2B1 LEU 1419 HA -0.05 0.01 0.60 -0.75 4.35 4.16 1pj2B1 LEU 1419 HB2 0.03 -0.01 0.07 -0.04 1.64 1.68 1pj2B1 LEU 1419 HB3 -0.00 0.06 0.13 -0.04 1.64 1.78 1pj2B1 LEU 1419 HG 0.08 0.01 -0.11 -0.04 1.64 1.57 1pj2B1 LEU 1419 HD13 0.12 0.00 -0.10 -0.04 0.93 0.91 1pj2B1 LEU 1419 HD23 -0.17 0.06 -0.24 -0.04 0.89 0.50 1pj2B1 SER 1420 H -0.06 0.03 -0.17 -0.55 8.46 7.70 1pj2B1 SER 1420 HA -0.03 0.02 0.44 -0.75 4.49 4.17 1pj2B1 SER 1420 HB2 -0.06 0.09 -0.00 -0.04 3.95 3.94 1pj2B1 SER 1420 HB3 -0.04 0.09 -0.05 -0.04 3.93 3.89 1pj2B1 ASN 1421 H -0.04 0.13 0.18 -0.55 8.53 8.27 1pj2B1 ASN 1421 HA -0.06 0.18 0.72 -0.75 4.76 4.85 1pj2B1 ASN 1421 HB2 -0.07 -0.07 0.04 -0.04 2.88 2.74 1pj2B1 ASN 1421 HB3 -0.10 -0.05 0.05 -0.04 2.79 2.64 1pj2B1 ASN 1421 HD21 -0.03 0.12 -0.01 -0.04 7.03 7.07 1pj2B1 ASN 1421 HD22 -0.04 -0.12 0.00 -0.04 7.74 7.53 1pj2B1 PRO 1422 HA -0.09 0.13 0.34 -0.51 4.44 4.30 1pj2B1 PRO 1422 HB2 -0.07 -0.01 0.18 -0.04 2.28 2.34 1pj2B1 PRO 1422 HB3 -0.08 0.05 0.16 -0.04 2.02 2.10 1pj2B1 PRO 1422 HG2 -0.04 -0.04 -0.10 -0.04 2.03 1.81 1pj2B1 PRO 1422 HG3 -0.05 0.14 0.01 -0.04 2.03 2.10 1pj2B1 PRO 1422 HD2 -0.04 0.20 0.33 -0.04 3.68 4.13 1pj2B1 PRO 1422 HD3 -0.05 0.04 0.06 -0.04 3.65 3.66 1pj2B1 THR 1423 H -0.09 0.18 0.14 -0.55 8.28 7.96 1pj2B1 THR 1423 HA -0.09 0.10 0.33 -0.75 4.39 3.98 1pj2B1 THR 1423 HB -0.04 -0.03 0.12 -0.04 4.32 4.32 1pj2B1 THR 1423 HG23 -0.02 0.03 -0.09 -0.04 1.22 1.10 1pj2B1 ALA 1424 H -0.01 0.07 -0.20 -0.55 8.40 7.71 1pj2B1 ALA 1424 HA 0.03 0.11 0.37 -0.75 4.34 4.10 1pj2B1 ALA 1424 HB3 0.00 0.01 0.02 -0.04 1.41 1.40 1pj2B1 GLN 1425 H -0.01 0.52 -0.50 -0.55 8.47 7.93 1pj2B1 GLN 1425 HA -0.01 0.20 0.75 -0.75 4.36 4.55 1pj2B1 GLN 1425 HB2 -0.03 0.04 -0.39 -0.04 2.15 1.74 1pj2B1 GLN 1425 HB3 -0.03 -0.25 -0.18 -0.04 2.02 1.52 1pj2B1 GLN 1425 HG2 -0.02 0.22 -0.13 -0.04 2.40 2.43 1pj2B1 GLN 1425 HG3 -0.02 0.03 -0.28 -0.04 2.39 2.08 1pj2B1 GLN 1425 HE21 -0.01 -0.05 -0.17 -0.04 6.97 6.70 1pj2B1 GLN 1425 HE22 -0.01 0.06 -0.19 -0.04 7.69 7.52 1pj2B1 ALA 1426 H 0.03 0.37 -0.24 -0.55 8.40 8.01 1pj2B1 ALA 1426 HA -0.01 -0.06 0.37 -0.75 4.34 3.89 1pj2B1 ALA 1426 HB3 0.15 0.04 0.08 -0.04 1.41 1.64 1pj2B1 GLU 1427 H -0.12 0.03 0.18 -0.55 8.60 8.14 1pj2B1 GLU 1427 HA -0.14 0.34 0.54 -0.75 4.29 4.28 1pj2B1 GLU 1427 HB2 -0.65 0.00 0.20 -0.04 2.09 1.60 1pj2B1 GLU 1427 HB3 -0.85 -0.01 0.05 -0.04 1.99 1.14 1pj2B1 GLU 1427 HG2 -1.31 0.05 0.09 -0.04 2.34 1.13 1pj2B1 GLU 1427 HG3 -0.47 0.02 0.11 -0.04 2.34 1.96 1pj2B1 CYS 1428 H 0.11 0.25 -0.02 -0.55 8.50 8.29 1pj2B1 CYS 1428 HA 0.05 0.08 0.37 -0.75 4.58 4.33 1pj2B1 CYS 1428 HB2 0.03 -0.05 0.04 -0.04 2.97 2.96 1pj2B1 CYS 1428 HB3 0.20 0.20 -0.19 -0.04 2.97 3.13 1pj2B1 THR 1429 H -0.11 0.09 0.10 -0.55 8.28 7.81 1pj2B1 THR 1429 HA -0.66 0.26 0.74 -0.75 4.39 3.97 1pj2B1 THR 1429 HB -0.50 0.01 0.16 -0.04 4.32 3.94 1pj2B1 THR 1429 HG23 0.04 0.04 -0.03 -0.04 1.22 1.24 1pj2B1 ALA 1430 H -1.57 0.22 0.13 -0.55 8.40 6.64 1pj2B1 ALA 1430 HA -1.35 0.13 0.35 -0.75 4.34 2.72 1pj2B1 ALA 1430 HB3 -0.02 0.06 0.04 -0.04 1.41 1.44 1pj2B1 GLU 1431 H -0.29 0.04 -0.14 -0.55 8.60 7.67 1pj2B1 GLU 1431 HA 0.01 0.15 0.44 -0.75 4.29 4.14 1pj2B1 GLU 1431 HB2 -0.04 0.09 0.09 -0.04 2.09 2.18 1pj2B1 GLU 1431 HB3 -0.08 -0.08 0.07 -0.04 1.99 1.86 1pj2B1 GLU 1431 HG2 -0.01 -0.04 -0.11 -0.04 2.34 2.14 1pj2B1 GLU 1431 HG3 0.01 0.06 0.03 -0.04 2.34 2.40 1pj2B1 GLU 1432 H -0.18 -0.01 -0.18 -0.55 8.60 7.68 1pj2B1 GLU 1432 HA -0.07 0.04 0.32 -0.75 4.29 3.83 1pj2B1 GLU 1432 HB2 -0.15 -0.06 0.12 -0.04 2.09 1.97 1pj2B1 GLU 1432 HB3 -0.07 0.11 -0.04 -0.04 1.99 1.95 1pj2B1 GLU 1432 HG2 -0.04 0.06 0.05 -0.04 2.34 2.37 1pj2B1 GLU 1432 HG3 -0.07 -0.06 0.07 -0.04 2.34 2.24 1pj2B1 ALA 1433 H -0.39 0.42 -0.39 -0.55 8.40 7.50 1pj2B1 ALA 1433 HA -0.17 0.09 0.38 -0.75 4.34 3.89 1pj2B1 ALA 1433 HB3 -0.58 0.02 -0.06 -0.04 1.41 0.75 1pj2B1 TYR 1434 H -0.24 0.43 -0.12 -0.55 8.29 7.81 1pj2B1 TYR 1434 HA -0.20 0.09 0.48 -0.75 4.56 4.17 1pj2B1 TYR 1434 HB2 -0.10 0.03 0.17 -0.04 3.06 3.12 1pj2B1 TYR 1434 HB3 -0.05 -0.04 -0.05 -0.04 2.98 2.79 1pj2B1 TYR 1434 HD2 -0.41 0.04 -0.02 -0.04 7.15 6.72 1pj2B1 TYR 1434 HE2 -0.12 0.09 -0.04 -0.04 6.85 6.73 1pj2B1 THR 1435 H 0.02 0.64 0.01 -0.55 8.28 8.41 1pj2B1 THR 1435 HA 0.06 0.03 0.45 -0.75 4.39 4.18 1pj2B1 THR 1435 HB 0.02 -0.04 0.04 -0.04 4.32 4.29 1pj2B1 THR 1435 HG23 0.04 0.01 0.03 -0.04 1.22 1.25 1pj2B1 LEU 1436 H -0.04 0.40 -0.22 -0.55 8.37 7.96 1pj2B1 LEU 1436 HA -0.02 0.01 0.39 -0.75 4.35 3.98 1pj2B1 LEU 1436 HB2 -0.05 0.46 0.20 -0.04 1.64 2.20 1pj2B1 LEU 1436 HB3 -0.04 0.05 -0.06 -0.04 1.64 1.55 1pj2B1 LEU 1436 HG -0.02 -0.01 0.07 -0.04 1.64 1.63 1pj2B1 LEU 1436 HD13 -0.02 -0.02 -0.02 -0.04 0.93 0.83 1pj2B1 LEU 1436 HD23 -0.02 -0.01 0.06 -0.04 0.89 0.88 1pj2B1 THR 1437 H -0.04 0.18 -0.67 -0.55 8.28 7.20 1pj2B1 THR 1437 HA -0.04 0.29 0.91 -0.75 4.39 4.79 1pj2B1 THR 1437 HB -0.05 0.09 0.19 -0.04 4.32 4.51 1pj2B1 THR 1437 HG23 -0.08 0.07 -0.10 -0.04 1.22 1.07 1pj2B1 GLU 1438 H 0.00 0.37 -0.20 -0.55 8.60 8.23 1pj2B1 GLU 1438 HA 0.04 -0.04 0.37 -0.75 4.29 3.91 1pj2B1 GLU 1438 HB2 0.01 0.19 -0.22 -0.04 2.09 2.03 1pj2B1 GLU 1438 HB3 0.03 -0.06 0.20 -0.04 1.99 2.13 1pj2B1 GLU 1438 HG2 0.02 -0.09 0.05 -0.04 2.34 2.28 1pj2B1 GLU 1438 HG3 0.01 0.05 -0.07 -0.04 2.34 2.28 1pj2B1 GLY 1439 H 0.00 0.45 -0.19 -0.55 8.43 8.16 1pj2B1 GLY 1439 HA2 -0.30 -0.06 0.29 -0.51 4.01 3.43 1pj2B1 GLY 1439 HA3 0.05 -0.01 0.40 -0.51 4.01 3.95 1pj2B1 ARG 1440 H -0.05 0.30 -0.10 -0.55 8.46 8.05 1pj2B1 ARG 1440 HA -0.02 0.16 0.93 -0.75 4.34 4.65 1pj2B1 ARG 1440 HB2 -0.03 0.07 0.17 -0.04 1.90 2.07 1pj2B1 ARG 1440 HB3 -0.02 0.32 0.30 -0.04 1.80 2.36 1pj2B1 ARG 1440 HG2 0.02 -0.09 0.00 -0.04 1.67 1.56 1pj2B1 ARG 1440 HG3 0.01 0.03 -0.14 -0.04 1.67 1.53 1pj2B1 ARG 1440 HD2 -0.01 0.15 0.14 -0.04 3.22 3.46 1pj2B1 ARG 1440 HD3 0.01 -0.17 0.03 -0.04 3.22 3.05 1pj2B1 CYS 1441 H -0.10 -0.12 0.01 -0.55 8.50 7.74 1pj2B1 CYS 1441 HA -0.04 0.28 0.47 -0.75 4.58 4.53 1pj2B1 CYS 1441 HB2 -0.07 -0.01 -0.09 -0.04 2.97 2.76 1pj2B1 CYS 1441 HB3 -0.11 0.03 0.04 -0.04 2.97 2.89 1pj2B1 LEU 1442 H 0.02 0.77 0.27 -0.55 8.37 8.87 1pj2B1 LEU 1442 HA 0.11 0.14 0.71 -0.75 4.35 4.56 1pj2B1 LEU 1442 HB2 0.06 -0.08 0.16 -0.04 1.64 1.73 1pj2B1 LEU 1442 HB3 0.10 -0.03 0.01 -0.04 1.64 1.69 1pj2B1 LEU 1442 HG 0.03 0.12 -0.25 -0.04 1.64 1.50 1pj2B1 LEU 1442 HD13 0.03 -0.01 -0.06 -0.04 0.93 0.85 1pj2B1 LEU 1442 HD23 0.07 0.02 -0.08 -0.04 0.89 0.85 1pj2B1 PHE 1443 H 0.21 0.24 0.03 -0.55 8.34 8.27 1pj2B1 PHE 1443 HA 0.14 0.36 0.96 -0.75 4.62 5.33 1pj2B1 PHE 1443 HB2 -0.44 -0.01 -0.13 -0.04 3.15 2.53 1pj2B1 PHE 1443 HB3 -0.27 0.01 0.00 -0.04 3.06 2.76 1pj2B1 PHE 1443 HD2 0.03 0.05 -0.12 -0.04 7.28 7.20 1pj2B1 PHE 1443 HE2 0.10 -0.07 -0.18 -0.04 7.38 7.18 1pj2B1 PHE 1443 HZ 0.03 0.02 -0.21 -0.04 7.32 7.12 1pj2B1 ALA 1444 H -1.02 0.48 0.35 -0.55 8.40 7.66 1pj2B1 ALA 1444 HA -0.21 0.26 0.59 -0.75 4.34 4.23 1pj2B1 ALA 1444 HB3 -0.72 -0.00 -0.14 -0.04 1.41 0.52 1pj2B1 SER 1445 H -0.14 0.47 0.28 -0.55 8.46 8.52 1pj2B1 SER 1445 HA -0.20 0.14 0.75 -0.75 4.49 4.44 1pj2B1 SER 1445 HB2 0.28 -0.07 0.18 -0.04 3.95 4.30 1pj2B1 SER 1445 HB3 0.27 -0.03 -0.06 -0.04 3.93 4.06 1pj2B1 GLY 1446 H -0.02 0.33 0.26 -0.55 8.43 8.46 1pj2B1 GLY 1446 HA2 -0.04 0.23 0.39 -0.51 4.01 4.08 1pj2B1 GLY 1446 HA3 -0.04 0.19 0.23 -0.51 4.01 3.89 1pj2B1 SER 1447 H -0.08 0.09 -0.03 -0.55 8.46 7.89 1pj2B1 SER 1447 HA -0.11 0.17 0.65 -0.75 4.49 4.44 1pj2B1 SER 1447 HB2 -0.28 0.03 -0.01 -0.04 3.95 3.65 1pj2B1 SER 1447 HB3 -0.21 0.08 0.05 -0.04 3.93 3.81 1pj2B1 PRO 1448 HA -0.00 0.10 0.41 -0.51 4.44 4.43 1pj2B1 PRO 1448 HB2 0.00 0.05 -0.03 -0.04 2.28 2.26 1pj2B1 PRO 1448 HB3 0.01 0.05 0.09 -0.04 2.02 2.13 1pj2B1 PRO 1448 HG2 -0.10 -0.04 0.13 -0.04 2.03 1.98 1pj2B1 PRO 1448 HG3 -0.03 0.14 0.17 -0.04 2.03 2.27 1pj2B1 PRO 1448 HD2 -0.15 -0.08 0.15 -0.04 3.68 3.56 1pj2B1 PRO 1448 HD3 -0.06 0.21 0.17 -0.04 3.65 3.92 1pj2B1 PHE 1449 H 0.18 0.34 0.14 -0.55 8.34 8.45 1pj2B1 PHE 1449 HA 0.09 0.06 0.81 -0.75 4.62 4.82 1pj2B1 PHE 1449 HB2 0.21 0.06 0.06 -0.04 3.15 3.44 1pj2B1 PHE 1449 HB3 0.15 0.07 0.01 -0.04 3.06 3.25 1pj2B1 PHE 1449 HD2 0.19 0.06 0.04 -0.04 7.28 7.53 1pj2B1 PHE 1449 HE2 0.13 0.02 0.05 -0.04 7.38 7.54 1pj2B1 PHE 1449 HZ 0.08 0.05 -0.01 -0.04 7.32 7.39 1pj2B1 GLY 1450 H 0.23 0.04 0.11 -0.55 8.43 8.27 1pj2B1 GLY 1450 HA2 0.12 0.11 0.50 -0.51 4.01 4.24 1pj2B1 GLY 1450 HA3 0.11 0.01 0.34 -0.51 4.01 3.97 1pj2B1 PRO 1451 HA 0.07 0.19 0.51 -0.51 4.44 4.70 1pj2B1 PRO 1451 HB2 0.02 -0.05 -0.05 -0.04 2.28 2.17 1pj2B1 PRO 1451 HB3 0.02 0.06 -0.04 -0.04 2.02 2.02 1pj2B1 PRO 1451 HG2 0.04 0.01 0.05 -0.04 2.03 2.09 1pj2B1 PRO 1451 HG3 0.06 0.07 0.10 -0.04 2.03 2.22 1pj2B1 PRO 1451 HD2 0.06 0.06 0.17 -0.04 3.68 3.93 1pj2B1 PRO 1451 HD3 0.08 0.12 0.24 -0.04 3.65 4.05 1pj2B1 VAL 1452 H -0.01 0.81 0.37 -0.55 8.24 8.86 1pj2B1 VAL 1452 HA 0.02 0.12 1.00 -0.75 4.13 4.52 1pj2B1 VAL 1452 HB -0.08 0.09 0.15 -0.04 2.12 2.24 1pj2B1 VAL 1452 HG13 0.07 -0.03 -0.18 -0.04 0.97 0.79 1pj2B1 VAL 1452 HG23 0.09 0.02 -0.27 -0.04 0.95 0.74 1pj2B1 LYS 1453 H 0.00 0.18 0.13 -0.55 8.42 8.18 1pj2B1 LYS 1453 HA -0.07 0.34 0.96 -0.75 4.32 4.80 1pj2B1 LYS 1453 HB2 -0.03 -0.01 -0.12 -0.04 1.87 1.68 1pj2B1 LYS 1453 HB3 -0.01 -0.06 0.07 -0.04 1.79 1.75 1pj2B1 LYS 1453 HG2 -0.03 0.08 -0.24 -0.04 1.46 1.23 1pj2B1 LYS 1453 HG3 -0.06 0.07 -0.22 -0.04 1.46 1.21 1pj2B1 LYS 1453 HD2 -0.02 -0.01 -0.08 -0.04 1.69 1.53 1pj2B1 LYS 1453 HD3 -0.01 -0.05 -0.08 -0.04 1.68 1.50 1pj2B1 LYS 1453 HE2 -0.04 0.07 -0.05 -0.04 2.99 2.94 1pj2B1 LYS 1453 HE3 -0.02 -0.04 -0.04 -0.04 2.99 2.85 1pj2B1 LEU 1454 H -0.03 0.85 0.21 -0.55 8.37 8.85 1pj2B1 LEU 1454 HA 0.04 0.11 0.65 -0.75 4.35 4.39 1pj2B1 LEU 1454 HB2 0.04 -0.06 0.07 -0.04 1.64 1.65 1pj2B1 LEU 1454 HB3 0.06 -0.08 0.09 -0.04 1.64 1.67 1pj2B1 LEU 1454 HG 0.21 0.12 -0.11 -0.04 1.64 1.81 1pj2B1 LEU 1454 HD13 0.31 0.02 -0.14 -0.04 0.93 1.07 1pj2B1 LEU 1454 HD23 0.12 -0.01 -0.19 -0.04 0.89 0.77 1pj2B1 THR 1455 H 0.02 0.18 0.16 -0.55 8.28 8.09 1pj2B1 THR 1455 HA 0.00 0.09 0.36 -0.75 4.39 4.09 1pj2B1 THR 1455 HB 0.01 0.03 0.05 -0.04 4.32 4.36 1pj2B1 THR 1455 HG23 0.01 0.01 0.09 -0.04 1.22 1.28 1pj2B1 ASP 1456 H 0.01 0.04 -0.42 -0.55 8.40 7.48 1pj2B1 ASP 1456 HA -0.00 0.16 0.60 -0.75 4.63 4.64 1pj2B1 ASP 1456 HB2 -0.00 0.05 0.17 -0.04 2.71 2.88 1pj2B1 ASP 1456 HB3 0.01 0.00 0.05 -0.04 2.70 2.72 1pj2B1 GLY 1457 H -0.02 0.53 -0.55 -0.55 8.43 7.85 1pj2B1 GLY 1457 HA2 -0.04 0.02 0.23 -0.51 4.01 3.71 1pj2B1 GLY 1457 HA3 -0.04 0.03 0.34 -0.51 4.01 3.84 1pj2B1 ARG 1458 H -0.06 -0.08 -0.51 -0.55 8.46 7.26 1pj2B1 ARG 1458 HA -0.21 0.13 0.60 -0.75 4.34 4.11 1pj2B1 ARG 1458 HB2 -0.07 -0.03 -0.02 -0.04 1.90 1.74 1pj2B1 ARG 1458 HB3 -0.17 -0.06 -0.02 -0.04 1.80 1.51 1pj2B1 ARG 1458 HG2 -0.53 0.09 -0.06 -0.04 1.67 1.13 1pj2B1 ARG 1458 HG3 -0.29 0.00 0.06 -0.04 1.67 1.41 1pj2B1 ARG 1458 HD2 -0.04 0.01 0.00 -0.04 3.22 3.15 1pj2B1 ARG 1458 HD3 -0.03 -0.05 -0.02 -0.04 3.22 3.09 1pj2B1 VAL 1459 H -0.36 0.20 0.21 -0.55 8.24 7.74 1pj2B1 VAL 1459 HA -0.26 0.33 1.23 -0.75 4.13 4.67 1pj2B1 VAL 1459 HB -0.17 -0.02 0.13 -0.04 2.12 2.02 1pj2B1 VAL 1459 HG13 -0.09 -0.01 -0.25 -0.04 0.97 0.59 1pj2B1 VAL 1459 HG23 -0.10 0.01 -0.18 -0.04 0.95 0.64 1pj2B1 PHE 1460 H -0.18 0.69 0.36 -0.55 8.34 8.67 1pj2B1 PHE 1460 HA -0.16 0.40 1.07 -0.75 4.62 5.18 1pj2B1 PHE 1460 HB2 -1.01 -0.14 0.14 -0.04 3.15 2.10 1pj2B1 PHE 1460 HB3 -0.86 0.08 0.01 -0.04 3.06 2.24 1pj2B1 PHE 1460 HD2 -0.20 0.02 -0.06 -0.04 7.28 7.00 1pj2B1 PHE 1460 HE2 -0.01 -0.02 -0.06 -0.04 7.38 7.25 1pj2B1 PHE 1460 HZ 0.01 0.05 0.03 -0.04 7.32 7.37 1pj2B1 THR 1461 H 0.07 0.63 0.19 -0.55 8.28 8.62 1pj2B1 THR 1461 HA 0.09 0.06 0.88 -0.75 4.39 4.66 1pj2B1 THR 1461 HB 0.08 0.04 0.09 -0.04 4.32 4.48 1pj2B1 THR 1461 HG23 0.10 -0.01 -0.13 -0.04 1.22 1.14 1pj2B1 PRO 1462 HA 0.37 0.22 0.52 -0.51 4.44 5.03 1pj2B1 PRO 1462 HB2 0.57 0.01 -0.08 -0.04 2.28 2.74 1pj2B1 PRO 1462 HB3 0.73 -0.02 0.00 -0.04 2.02 2.69 1pj2B1 PRO 1462 HG2 0.33 0.07 0.04 -0.04 2.03 2.44 1pj2B1 PRO 1462 HG3 0.36 -0.08 -0.06 -0.04 2.03 2.21 1pj2B1 PRO 1462 HD2 0.18 0.03 0.12 -0.04 3.68 3.97 1pj2B1 PRO 1462 HD3 0.19 0.23 0.10 -0.04 3.65 4.13 1pj2B1 GLY 1463 H 0.22 0.27 0.28 -0.55 8.43 8.66 1pj2B1 GLY 1463 HA2 0.20 0.13 0.59 -0.51 4.01 4.42 1pj2B1 GLY 1463 HA3 0.27 -0.04 0.35 -0.51 4.01 4.09 1pj2B1 GLN 1464 H 0.14 0.19 0.10 -0.55 8.47 8.35 1pj2B1 GLN 1464 HA 0.03 0.21 0.95 -0.75 4.36 4.79 1pj2B1 GLN 1464 HB2 0.10 -0.02 -0.03 -0.04 2.15 2.16 1pj2B1 GLN 1464 HB3 0.10 -0.08 0.09 -0.04 2.02 2.10 1pj2B1 GLN 1464 HG2 0.01 0.14 -0.35 -0.04 2.40 2.16 1pj2B1 GLN 1464 HG3 0.03 0.07 -0.59 -0.04 2.39 1.85 1pj2B1 GLN 1464 HE21 0.03 -0.02 0.02 -0.04 6.97 6.96 1pj2B1 GLN 1464 HE22 -0.01 0.57 0.11 -0.04 7.69 8.31 1pj2B1 GLY 1465 H -0.13 0.39 0.05 -0.55 8.43 8.19 1pj2B1 GLY 1465 HA2 -0.49 0.14 0.50 -0.51 4.01 3.65 1pj2B1 GLY 1465 HA3 -0.20 -0.04 0.15 -0.51 4.01 3.41 1pj2B1 ASN 1466 H -0.09 0.52 0.03 -0.55 8.53 8.44 1pj2B1 ASN 1466 HA 0.04 0.10 0.84 -0.75 4.76 5.00 1pj2B1 ASN 1466 HB2 0.04 0.36 -0.08 -0.04 2.88 3.16 1pj2B1 ASN 1466 HB3 0.09 0.03 0.02 -0.04 2.79 2.89 1pj2B1 ASN 1466 HD21 0.02 -0.12 0.01 -0.04 7.03 6.89 1pj2B1 ASN 1466 HD22 0.00 0.32 0.05 -0.04 7.74 8.07 1pj2B1 ASN 1467 H 0.15 0.17 0.07 -0.55 8.53 8.38 1pj2B1 ASN 1467 HA 0.13 0.18 0.25 -0.75 4.76 4.56 1pj2B1 ASN 1467 HB2 0.36 -0.07 0.02 -0.04 2.88 3.14 1pj2B1 ASN 1467 HB3 0.21 0.02 -0.15 -0.04 2.79 2.82 1pj2B1 ASN 1467 HD21 0.19 -0.02 -0.07 -0.04 7.03 7.09 1pj2B1 ASN 1467 HD22 0.17 0.02 -0.05 -0.04 7.74 7.84 1pj2B1 VAL 1468 H 0.12 0.08 -0.73 -0.55 8.24 7.16 1pj2B1 VAL 1468 HA -0.75 0.03 0.28 -0.75 4.13 2.94 1pj2B1 VAL 1468 HB -0.12 -0.08 0.01 -0.04 2.12 1.90 1pj2B1 VAL 1468 HG13 -0.26 0.04 -0.13 -0.04 0.97 0.57 1pj2B1 VAL 1468 HG23 -0.47 0.03 -0.04 -0.04 0.95 0.42 1pj2B1 TYR 1469 H 0.03 0.37 -0.26 -0.55 8.29 7.87 1pj2B1 TYR 1469 HA -0.19 0.12 0.45 -0.75 4.56 4.19 1pj2B1 TYR 1469 HB2 -0.16 0.01 0.03 -0.04 3.06 2.89 1pj2B1 TYR 1469 HB3 -0.10 0.05 -0.01 -0.04 2.98 2.87 1pj2B1 TYR 1469 HD2 -0.17 0.04 0.06 -0.04 7.15 7.03 1pj2B1 TYR 1469 HE2 -0.12 0.03 -0.05 -0.04 6.85 6.68 1pj2B1 ILE 1470 H -0.08 0.39 -0.43 -0.55 8.25 7.58 1pj2B1 ILE 1470 HA -0.05 0.28 0.95 -0.75 4.18 4.61 1pj2B1 ILE 1470 HB 0.14 -0.09 0.18 -0.04 1.89 2.07 1pj2B1 ILE 1470 HG12 0.07 -0.09 -0.24 -0.04 1.49 1.18 1pj2B1 ILE 1470 HG13 0.12 0.07 -0.07 -0.04 1.21 1.29 1pj2B1 ILE 1470 HG23 0.07 -0.00 -0.17 -0.04 0.93 0.79 1pj2B1 ILE 1470 HD13 0.03 0.06 -0.29 -0.04 0.88 0.64 1pj2B1 PHE 1471 H 0.14 0.24 0.11 -0.55 8.34 8.28 1pj2B1 PHE 1471 HA -0.04 -0.01 0.24 -0.75 4.62 4.06 1pj2B1 PHE 1471 HB2 0.29 0.02 0.01 -0.04 3.15 3.42 1pj2B1 PHE 1471 HB3 0.27 -0.13 0.08 -0.04 3.06 3.24 1pj2B1 PHE 1471 HD2 0.00 -0.04 -0.29 -0.04 7.28 6.91 1pj2B1 PHE 1471 HE2 0.15 -0.01 -0.18 -0.04 7.38 7.30 1pj2B1 PHE 1471 HZ -0.09 0.00 -0.04 -0.04 7.32 7.15 1pj2B1 PRO 1472 HA -0.33 0.07 0.45 -0.51 4.44 4.12 1pj2B1 PRO 1472 HB2 -0.25 0.07 -0.04 -0.04 2.28 2.02 1pj2B1 PRO 1472 HB3 -0.20 0.05 -0.01 -0.04 2.02 1.82 1pj2B1 PRO 1472 HG2 -0.59 0.20 -0.00 -0.04 2.03 1.60 1pj2B1 PRO 1472 HG3 -0.65 -0.06 -0.15 -0.04 2.03 1.12 1pj2B1 PRO 1472 HD2 -0.52 0.20 -0.51 -0.04 3.68 2.81 1pj2B1 PRO 1472 HD3 -1.85 -0.09 -0.10 -0.04 3.65 1.58 1pj2B1 GLY 1473 H -0.18 0.28 -0.10 -0.55 8.43 7.88 1pj2B1 GLY 1473 HA2 -0.10 0.13 0.40 -0.51 4.01 3.93 1pj2B1 GLY 1473 HA3 -0.10 0.10 0.33 -0.51 4.01 3.83 1pj2B1 VAL 1474 H -0.15 0.38 -0.30 -0.55 8.24 7.62 1pj2B1 VAL 1474 HA -0.17 0.08 0.38 -0.75 4.13 3.66 1pj2B1 VAL 1474 HB -0.27 -0.02 -0.06 -0.04 2.12 1.73 1pj2B1 VAL 1474 HG13 -0.52 -0.01 -0.24 -0.04 0.97 0.15 1pj2B1 VAL 1474 HG23 -0.36 0.03 -0.13 -0.04 0.95 0.45 1pj2B1 ALA 1475 H -0.13 0.55 -0.14 -0.55 8.40 8.13 1pj2B1 ALA 1475 HA 0.02 -0.02 0.31 -0.75 4.34 3.89 1pj2B1 ALA 1475 HB3 -0.22 0.02 0.08 -0.04 1.41 1.25 1pj2B1 LEU 1476 H -0.12 0.53 -0.23 -0.55 8.37 8.01 1pj2B1 LEU 1476 HA -0.03 0.02 0.33 -0.75 4.35 3.92 1pj2B1 LEU 1476 HB2 -0.06 0.05 0.06 -0.04 1.64 1.64 1pj2B1 LEU 1476 HB3 -0.06 0.04 0.10 -0.04 1.64 1.69 1pj2B1 LEU 1476 HG -0.02 -0.06 -0.27 -0.04 1.64 1.25 1pj2B1 LEU 1476 HD13 -0.03 0.00 -0.00 -0.04 0.93 0.86 1pj2B1 LEU 1476 HD23 -0.04 0.09 -0.01 -0.04 0.89 0.89 1pj2B1 ALA 1477 H -0.04 0.34 -0.30 -0.55 8.40 7.85 1pj2B1 ALA 1477 HA 0.05 0.04 0.43 -0.75 4.34 4.11 1pj2B1 ALA 1477 HB3 -0.00 0.01 0.08 -0.04 1.41 1.46 1pj2B1 VAL 1478 H -0.02 0.62 -0.03 -0.55 8.24 8.26 1pj2B1 VAL 1478 HA 0.03 -0.03 0.32 -0.75 4.13 3.70 1pj2B1 VAL 1478 HB 0.04 0.08 0.08 -0.04 2.12 2.28 1pj2B1 VAL 1478 HG13 0.08 -0.00 -0.21 -0.04 0.97 0.79 1pj2B1 VAL 1478 HG23 -0.03 0.04 -0.09 -0.04 0.95 0.84 1pj2B1 ILE 1479 H 0.03 0.51 -0.20 -0.55 8.25 8.04 1pj2B1 ILE 1479 HA 0.04 0.08 0.45 -0.75 4.18 4.00 1pj2B1 ILE 1479 HB 0.02 0.10 0.12 -0.04 1.89 2.09 1pj2B1 ILE 1479 HG12 0.04 0.06 0.04 -0.04 1.49 1.59 1pj2B1 ILE 1479 HG13 0.06 -0.02 0.07 -0.04 1.21 1.27 1pj2B1 ILE 1479 HG23 -0.00 -0.01 -0.13 -0.04 0.93 0.75 1pj2B1 ILE 1479 HD13 0.07 -0.04 -0.15 -0.04 0.88 0.71 1pj2B1 LEU 1480 H 0.05 0.55 -0.05 -0.55 8.37 8.37 1pj2B1 LEU 1480 HA 0.08 0.04 0.45 -0.75 4.35 4.17 1pj2B1 LEU 1480 HB2 0.13 0.03 0.14 -0.04 1.64 1.90 1pj2B1 LEU 1480 HB3 0.15 -0.08 0.03 -0.04 1.64 1.70 1pj2B1 LEU 1480 HG -0.01 0.39 0.15 -0.04 1.64 2.13 1pj2B1 LEU 1480 HD13 -0.14 -0.02 -0.04 -0.04 0.93 0.68 1pj2B1 LEU 1480 HD23 -0.06 -0.02 0.01 -0.04 0.89 0.79 1pj2B1 CYS 1481 H 0.10 0.55 -0.24 -0.55 8.50 8.37 1pj2B1 CYS 1481 HA 0.13 0.12 0.68 -0.75 4.58 4.75 1pj2B1 CYS 1481 HB2 0.00 0.07 0.07 -0.04 2.97 3.07 1pj2B1 CYS 1481 HB3 -0.20 -0.11 0.13 -0.04 2.97 2.74 1pj2B1 ASN 1482 H 0.09 0.39 -0.45 -0.55 8.53 8.01 1pj2B1 ASN 1482 HA 0.09 0.12 0.29 -0.75 4.76 4.50 1pj2B1 ASN 1482 HB2 0.15 0.01 -0.25 -0.04 2.88 2.74 1pj2B1 ASN 1482 HB3 0.14 -0.06 0.14 -0.04 2.79 2.97 1pj2B1 ASN 1482 HD21 0.12 -0.01 -0.04 -0.04 7.03 7.06 1pj2B1 ASN 1482 HD22 0.16 -0.03 -0.16 -0.04 7.74 7.67 1pj2B1 THR 1483 H 0.07 0.49 -0.04 -0.55 8.28 8.25 1pj2B1 THR 1483 HA 0.19 0.04 0.43 -0.75 4.39 4.30 1pj2B1 THR 1483 HB 0.06 0.02 0.08 -0.04 4.32 4.44 1pj2B1 THR 1483 HG23 0.09 -0.05 -0.23 -0.04 1.22 0.99 1pj2B1 ARG 1484 H 0.13 0.08 0.17 -0.55 8.46 8.29 1pj2B1 ARG 1484 HA -0.14 0.25 0.83 -0.75 4.34 4.52 1pj2B1 ARG 1484 HB2 -0.48 0.01 -0.01 -0.04 1.90 1.38 1pj2B1 ARG 1484 HB3 -0.27 0.03 -0.01 -0.04 1.80 1.51 1pj2B1 ARG 1484 HG2 0.10 -0.00 0.12 -0.04 1.67 1.84 1pj2B1 ARG 1484 HG3 -0.06 0.01 -0.10 -0.04 1.67 1.48 1pj2B1 ARG 1484 HD2 -0.06 -0.02 -0.00 -0.04 3.22 3.10 1pj2B1 ARG 1484 HD3 -0.14 -0.02 -0.03 -0.04 3.22 2.98 1pj2B1 HIS 1485 H 0.08 0.09 0.08 -0.55 8.41 8.11 1pj2B1 HIS 1485 HA 0.12 0.24 0.73 -0.75 4.63 4.98 1pj2B1 HIS 1485 HB2 0.09 -0.11 -0.01 -0.04 3.26 3.19 1pj2B1 HIS 1485 HB3 0.09 0.04 0.03 -0.04 3.20 3.32 1pj2B1 HIS 1485 HD2 0.08 0.34 -0.18 -0.04 6.97 7.17 1pj2B1 HIS 1485 HE1 -0.03 -0.12 -0.07 -0.04 7.75 7.49 1pj2B1 ILE 1486 H 0.25 0.32 0.15 -0.55 8.25 8.42 1pj2B1 ILE 1486 HA 0.17 0.16 0.95 -0.75 4.18 4.70 1pj2B1 ILE 1486 HB 0.29 0.10 0.13 -0.04 1.89 2.37 1pj2B1 ILE 1486 HG12 0.11 0.04 -0.26 -0.04 1.49 1.34 1pj2B1 ILE 1486 HG13 0.19 -0.00 -0.31 -0.04 1.21 1.05 1pj2B1 ILE 1486 HG23 0.21 -0.03 -0.20 -0.04 0.93 0.87 1pj2B1 ILE 1486 HD13 0.26 0.01 -0.32 -0.04 0.88 0.79 1pj2B1 SER 1487 H 0.17 0.23 0.13 -0.55 8.46 8.45 1pj2B1 SER 1487 HA 0.15 0.18 0.67 -0.75 4.49 4.73 1pj2B1 SER 1487 HB2 0.13 -0.05 0.10 -0.04 3.95 4.09 1pj2B1 SER 1487 HB3 0.13 0.17 0.04 -0.04 3.93 4.23 1pj2B1 ASP 1488 H 0.12 0.23 0.16 -0.55 8.40 8.37 1pj2B1 ASP 1488 HA 0.18 0.04 0.37 -0.75 4.63 4.47 1pj2B1 ASP 1488 HB2 0.09 0.04 0.07 -0.04 2.71 2.86 1pj2B1 ASP 1488 HB3 0.06 0.07 0.01 -0.04 2.70 2.81 1pj2B1 SER 1489 H 0.15 0.09 -0.39 -0.55 8.46 7.77 1pj2B1 SER 1489 HA 0.09 0.11 0.33 -0.75 4.49 4.26 1pj2B1 SER 1489 HB2 0.21 0.07 0.03 -0.04 3.95 4.23 1pj2B1 SER 1489 HB3 0.15 0.00 0.03 -0.04 3.93 4.07 1pj2B1 VAL 1490 H 0.18 0.55 -0.44 -0.55 8.24 7.98 1pj2B1 VAL 1490 HA -0.20 0.11 0.41 -0.75 4.13 3.70 1pj2B1 VAL 1490 HB -0.03 0.07 0.03 -0.04 2.12 2.14 1pj2B1 VAL 1490 HG13 -0.23 -0.00 -0.13 -0.04 0.97 0.57 1pj2B1 VAL 1490 HG23 0.18 -0.00 0.04 -0.04 0.95 1.12 1pj2B1 PHE 1491 H 0.34 0.28 -0.20 -0.55 8.34 8.21 1pj2B1 PHE 1491 HA -0.07 0.03 0.41 -0.75 4.62 4.23 1pj2B1 PHE 1491 HB2 -0.00 0.22 0.14 -0.04 3.15 3.46 1pj2B1 PHE 1491 HB3 -0.01 -0.02 0.00 -0.04 3.06 3.00 1pj2B1 PHE 1491 HD2 -0.02 0.10 -0.08 -0.04 7.28 7.25 1pj2B1 PHE 1491 HE2 -0.11 -0.02 -0.29 -0.04 7.38 6.91 1pj2B1 PHE 1491 HZ -0.81 -0.02 -0.19 -0.04 7.32 6.25 1pj2B1 LEU 1492 H 0.07 0.32 -0.23 -0.55 8.37 7.99 1pj2B1 LEU 1492 HA 0.05 0.07 0.37 -0.75 4.35 4.08 1pj2B1 LEU 1492 HB2 0.04 -0.03 0.11 -0.04 1.64 1.71 1pj2B1 LEU 1492 HB3 -0.03 0.06 -0.02 -0.04 1.64 1.61 1pj2B1 LEU 1492 HG 0.06 0.08 0.04 -0.04 1.64 1.77 1pj2B1 LEU 1492 HD13 0.05 0.01 -0.03 -0.04 0.93 0.92 1pj2B1 LEU 1492 HD23 0.03 -0.01 0.02 -0.04 0.89 0.89 1pj2B1 GLU 1493 H -0.24 0.41 -0.26 -0.55 8.60 7.97 1pj2B1 GLU 1493 HA -0.13 0.05 0.44 -0.75 4.29 3.90 1pj2B1 GLU 1493 HB2 -0.70 0.13 0.10 -0.04 2.09 1.58 1pj2B1 GLU 1493 HB3 -0.32 -0.03 -0.07 -0.04 1.99 1.52 1pj2B1 GLU 1493 HG2 -0.28 -0.01 -0.02 -0.04 2.34 1.98 1pj2B1 GLU 1493 HG3 -1.08 0.03 -0.01 -0.04 2.34 1.23 1pj2B1 ALA 1494 H -0.14 0.22 -0.54 -0.55 8.40 7.40 1pj2B1 ALA 1494 HA -0.11 0.04 0.41 -0.75 4.34 3.92 1pj2B1 ALA 1494 HB3 -0.15 0.05 0.07 -0.04 1.41 1.34 1pj2B1 ALA 1495 H -0.00 0.57 -0.08 -0.55 8.40 8.34 1pj2B1 ALA 1495 HA 0.03 0.03 0.41 -0.75 4.34 4.06 1pj2B1 ALA 1495 HB3 0.05 0.02 0.11 -0.04 1.41 1.54 1pj2B1 LYS 1496 H -0.02 0.48 -0.14 -0.55 8.42 8.18 1pj2B1 LYS 1496 HA -0.00 0.03 0.32 -0.75 4.32 3.91 1pj2B1 LYS 1496 HB2 -0.03 0.07 0.08 -0.04 1.87 1.94 1pj2B1 LYS 1496 HB3 -0.01 -0.03 -0.00 -0.04 1.79 1.71 1pj2B1 LYS 1496 HG2 0.00 -0.02 0.01 -0.04 1.46 1.41 1pj2B1 LYS 1496 HG3 -0.02 0.33 0.10 -0.04 1.46 1.83 1pj2B1 LYS 1496 HD2 -0.03 -0.04 -0.03 -0.04 1.69 1.56 1pj2B1 LYS 1496 HD3 0.00 -0.02 -0.03 -0.04 1.68 1.59 1pj2B1 LYS 1496 HE2 0.01 0.04 -0.05 -0.04 2.99 2.94 1pj2B1 LYS 1496 HE3 -0.02 -0.02 -0.22 -0.04 2.99 2.69 1pj2B1 ALA 1497 H -0.04 0.52 -0.37 -0.55 8.40 7.98 1pj2B1 ALA 1497 HA -0.01 -0.02 0.34 -0.75 4.34 3.90 1pj2B1 ALA 1497 HB3 -0.03 0.02 0.12 -0.04 1.41 1.48 1pj2B1 LEU 1498 H -0.00 0.50 -0.22 -0.55 8.37 8.10 1pj2B1 LEU 1498 HA 0.01 0.01 0.43 -0.75 4.35 4.05 1pj2B1 LEU 1498 HB2 0.01 0.01 0.06 -0.04 1.64 1.68 1pj2B1 LEU 1498 HB3 0.02 0.11 0.21 -0.04 1.64 1.94 1pj2B1 LEU 1498 HG 0.02 0.04 -0.18 -0.04 1.64 1.47 1pj2B1 LEU 1498 HD13 -0.01 -0.01 -0.01 -0.04 0.93 0.86 1pj2B1 LEU 1498 HD23 -0.04 -0.02 -0.08 -0.04 0.89 0.71 1pj2B1 THR 1499 H 0.01 0.58 0.06 -0.55 8.28 8.38 1pj2B1 THR 1499 HA -0.02 0.01 0.39 -0.75 4.39 4.02 1pj2B1 THR 1499 HB -0.00 0.05 0.09 -0.04 4.32 4.41 1pj2B1 THR 1499 HG23 -0.02 -0.01 -0.16 -0.04 1.22 0.98 1pj2B1 SER 1500 H 0.00 0.63 -0.34 -0.55 8.46 8.20 1pj2B1 SER 1500 HA 0.00 -0.00 0.32 -0.75 4.49 4.06 1pj2B1 SER 1500 HB2 0.01 -0.13 0.13 -0.04 3.95 3.91 1pj2B1 SER 1500 HB3 0.00 0.08 0.07 -0.04 3.93 4.04 1pj2B1 GLN 1501 H 0.01 0.28 -1.05 -0.55 8.47 7.16 1pj2B1 GLN 1501 HA 0.01 0.10 0.86 -0.75 4.36 4.58 1pj2B1 GLN 1501 HB2 0.02 0.16 0.06 -0.04 2.15 2.35 1pj2B1 GLN 1501 HB3 0.02 -0.18 0.11 -0.04 2.02 1.92 1pj2B1 GLN 1501 HG2 0.01 -0.06 -0.17 -0.04 2.40 2.14 1pj2B1 GLN 1501 HG3 0.01 0.37 -0.11 -0.04 2.39 2.62 1pj2B1 GLN 1501 HE21 0.02 0.09 0.06 -0.04 6.97 7.09 1pj2B1 GLN 1501 HE22 0.01 0.26 -0.02 -0.04 7.69 7.91 1pj2B1 LEU 1502 H 0.00 0.63 0.04 -0.55 8.37 8.50 1pj2B1 LEU 1502 HA 0.01 -0.07 0.50 -0.75 4.35 4.04 1pj2B1 LEU 1502 HB2 -0.02 0.11 0.17 -0.04 1.64 1.86 1pj2B1 LEU 1502 HB3 -0.01 0.01 0.06 -0.04 1.64 1.65 1pj2B1 LEU 1502 HG -0.02 -0.16 -0.39 -0.04 1.64 1.04 1pj2B1 LEU 1502 HD13 -0.08 -0.00 -0.22 -0.04 0.93 0.58 1pj2B1 LEU 1502 HD23 0.01 0.00 -0.25 -0.04 0.89 0.61 1pj2B1 THR 1503 H 0.02 0.08 0.17 -0.55 8.28 8.00 1pj2B1 THR 1503 HA 0.01 0.18 0.47 -0.75 4.39 4.29 1pj2B1 THR 1503 HB 0.01 -0.12 0.14 -0.04 4.32 4.31 1pj2B1 THR 1503 HG23 0.01 0.07 0.04 -0.04 1.22 1.30 1pj2B1 ASP 1504 H 0.01 0.14 0.16 -0.55 8.40 8.16 1pj2B1 ASP 1504 HA 0.01 0.22 0.41 -0.75 4.63 4.53 1pj2B1 ASP 1504 HB2 0.01 -0.11 0.17 -0.04 2.71 2.74 1pj2B1 ASP 1504 HB3 0.01 0.06 0.05 -0.04 2.70 2.78 1pj2B1 GLU 1505 H 0.01 0.08 -0.03 -0.55 8.60 8.12 1pj2B1 GLU 1505 HA 0.02 0.08 0.36 -0.75 4.29 3.99 1pj2B1 GLU 1505 HB2 0.02 -0.01 0.02 -0.04 2.09 2.08 1pj2B1 GLU 1505 HB3 0.01 0.04 0.05 -0.04 1.99 2.05 1pj2B1 GLU 1505 HG2 0.01 0.03 0.05 -0.04 2.34 2.39 1pj2B1 GLU 1505 HG3 0.01 0.03 0.07 -0.04 2.34 2.42 1pj2B1 GLU 1506 H 0.02 0.09 -0.48 -0.55 8.60 7.69 1pj2B1 GLU 1506 HA 0.04 -0.00 0.43 -0.75 4.29 4.01 1pj2B1 GLU 1506 HB2 0.03 0.21 -0.00 -0.04 2.09 2.28 1pj2B1 GLU 1506 HB3 0.04 0.06 -0.00 -0.04 1.99 2.05 1pj2B1 GLU 1506 HG2 0.04 -0.01 0.02 -0.04 2.34 2.35 1pj2B1 GLU 1506 HG3 0.03 -0.14 0.01 -0.04 2.34 2.20 1pj2B1 LEU 1507 H 0.03 0.36 -0.23 -0.55 8.37 7.98 1pj2B1 LEU 1507 HA 0.03 0.24 0.41 -0.75 4.35 4.28 1pj2B1 LEU 1507 HB2 0.03 0.05 0.20 -0.04 1.64 1.88 1pj2B1 LEU 1507 HB3 0.03 0.01 -0.01 -0.04 1.64 1.62 1pj2B1 LEU 1507 HG 0.01 0.19 -0.01 -0.04 1.64 1.79 1pj2B1 LEU 1507 HD13 0.01 -0.04 0.01 -0.04 0.93 0.87 1pj2B1 LEU 1507 HD23 0.00 0.03 -0.05 -0.04 0.89 0.84 1pj2B1 ALA 1508 H 0.03 0.32 -0.10 -0.55 8.40 8.11 1pj2B1 ALA 1508 HA 0.06 0.07 0.36 -0.75 4.34 4.07 1pj2B1 ALA 1508 HB3 0.03 0.02 0.11 -0.04 1.41 1.53 1pj2B1 GLN 1509 H 0.04 0.30 -0.10 -0.55 8.47 8.17 1pj2B1 GLN 1509 HA 0.02 0.03 0.40 -0.75 4.36 4.06 1pj2B1 GLN 1509 HB2 0.06 0.08 0.06 -0.04 2.15 2.31 1pj2B1 GLN 1509 HB3 0.03 -0.09 0.14 -0.04 2.02 2.07 1pj2B1 GLN 1509 HG2 0.01 -0.05 0.08 -0.04 2.40 2.40 1pj2B1 GLN 1509 HG3 0.03 0.30 0.18 -0.04 2.39 2.85 1pj2B1 GLN 1509 HE21 0.02 -0.06 -0.03 -0.04 6.97 6.85 1pj2B1 GLN 1509 HE22 0.02 0.00 -0.08 -0.04 7.69 7.58 1pj2B1 GLY 1510 H 0.10 0.39 -0.70 -0.55 8.43 7.68 1pj2B1 GLY 1510 HA2 0.18 0.09 0.26 -0.51 4.01 4.03 1pj2B1 GLY 1510 HA3 0.24 0.01 0.83 -0.51 4.01 4.58 1pj2B1 ARG 1511 H 0.09 0.33 0.09 -0.55 8.46 8.41 1pj2B1 ARG 1511 HA 0.12 0.04 0.84 -0.75 4.34 4.58 1pj2B1 ARG 1511 HB2 0.06 0.34 0.17 -0.04 1.90 2.43 1pj2B1 ARG 1511 HB3 0.07 0.07 -0.03 -0.04 1.80 1.88 1pj2B1 ARG 1511 HG2 0.11 -0.02 -0.09 -0.04 1.67 1.63 1pj2B1 ARG 1511 HG3 0.09 0.02 -0.12 -0.04 1.67 1.62 1pj2B1 ARG 1511 HD2 0.06 -0.05 0.05 -0.04 3.22 3.24 1pj2B1 ARG 1511 HD3 0.08 0.03 0.00 -0.04 3.22 3.28 1pj2B1 LEU 1512 H 0.03 0.10 0.20 -0.55 8.37 8.15 1pj2B1 LEU 1512 HA -0.12 0.20 0.56 -0.75 4.35 4.23 1pj2B1 LEU 1512 HB2 -0.29 -0.10 0.02 -0.04 1.64 1.23 1pj2B1 LEU 1512 HB3 -0.45 0.00 0.07 -0.04 1.64 1.22 1pj2B1 LEU 1512 HG 0.05 0.08 -0.13 -0.04 1.64 1.60 1pj2B1 LEU 1512 HD13 0.18 -0.01 -0.29 -0.04 0.93 0.76 1pj2B1 LEU 1512 HD23 0.01 0.04 -0.16 -0.04 0.89 0.74 1pj2B1 TYR 1513 H 0.04 0.05 -0.17 -0.55 8.29 7.65 1pj2B1 TYR 1513 HA -0.14 0.28 0.72 -0.75 4.56 4.66 1pj2B1 TYR 1513 HB2 -0.19 -0.16 -0.06 -0.04 3.06 2.61 1pj2B1 TYR 1513 HB3 -0.64 0.08 0.00 -0.04 2.98 2.38 1pj2B1 TYR 1513 HD2 -0.25 -0.07 -0.17 -0.04 7.15 6.62 1pj2B1 TYR 1513 HE2 -0.23 -0.00 -0.22 -0.04 6.85 6.35 1pj2B1 PRO 1514 HA 0.07 0.08 0.37 -0.51 4.44 4.45 1pj2B1 PRO 1514 HB2 0.17 -0.05 -0.10 -0.04 2.28 2.27 1pj2B1 PRO 1514 HB3 0.08 0.05 0.01 -0.04 2.02 2.11 1pj2B1 PRO 1514 HG2 0.04 0.11 -0.03 -0.04 2.03 2.11 1pj2B1 PRO 1514 HG3 0.03 0.07 -0.21 -0.04 2.03 1.88 1pj2B1 PRO 1514 HD2 -0.15 0.04 0.07 -0.04 3.68 3.60 1pj2B1 PRO 1514 HD3 -0.00 0.21 0.05 -0.04 3.65 3.86 1pj2B1 PRO 1515 HA 0.13 0.08 0.47 -0.51 4.44 4.61 1pj2B1 PRO 1515 HB2 0.06 -0.13 0.06 -0.04 2.28 2.22 1pj2B1 PRO 1515 HB3 0.07 0.11 0.14 -0.04 2.02 2.30 1pj2B1 PRO 1515 HG2 0.06 -0.07 0.11 -0.04 2.03 2.09 1pj2B1 PRO 1515 HG3 0.05 0.07 0.09 -0.04 2.03 2.20 1pj2B1 PRO 1515 HD2 0.07 0.13 0.21 -0.04 3.68 4.04 1pj2B1 PRO 1515 HD3 0.06 0.17 0.20 -0.04 3.65 4.04 1pj2B1 LEU 1516 H 0.13 0.21 0.19 -0.55 8.37 8.36 1pj2B1 LEU 1516 HA -0.02 0.13 0.35 -0.75 4.35 4.05 1pj2B1 LEU 1516 HB2 0.09 0.05 0.16 -0.04 1.64 1.89 1pj2B1 LEU 1516 HB3 0.03 -0.00 0.03 -0.04 1.64 1.66 1pj2B1 LEU 1516 HG -0.08 -0.00 -0.04 -0.04 1.64 1.48 1pj2B1 LEU 1516 HD13 -0.39 -0.00 0.03 -0.04 0.93 0.53 1pj2B1 LEU 1516 HD23 0.01 0.01 0.01 -0.04 0.89 0.88 1pj2B1 ALA 1517 H 0.04 0.05 -0.52 -0.55 8.40 7.43 1pj2B1 ALA 1517 HA -0.00 0.02 0.48 -0.75 4.34 4.08 1pj2B1 ALA 1517 HB3 0.02 0.02 0.05 -0.04 1.41 1.46 1pj2B1 ASN 1518 H 0.04 0.69 -0.29 -0.55 8.53 8.42 1pj2B1 ASN 1518 HA 0.00 0.20 0.92 -0.75 4.76 5.13 1pj2B1 ASN 1518 HB2 0.05 0.15 0.05 -0.04 2.88 3.09 1pj2B1 ASN 1518 HB3 0.02 -0.07 0.19 -0.04 2.79 2.89 1pj2B1 ASN 1518 HD21 0.01 -0.00 -0.07 -0.04 7.03 6.93 1pj2B1 ASN 1518 HD22 0.01 0.09 -0.07 -0.04 7.74 7.73 1pj2B1 ILE 1519 H -0.04 0.37 -0.39 -0.55 8.25 7.63 1pj2B1 ILE 1519 HA -0.03 0.03 0.21 -0.75 4.18 3.64 1pj2B1 ILE 1519 HB -0.24 0.07 0.10 -0.04 1.89 1.78 1pj2B1 ILE 1519 HG12 -0.21 0.01 -0.02 -0.04 1.49 1.23 1pj2B1 ILE 1519 HG13 -0.31 -0.02 0.05 -0.04 1.21 0.89 1pj2B1 ILE 1519 HG23 -0.12 0.01 -0.16 -0.04 0.93 0.62 1pj2B1 ILE 1519 HD13 -0.46 0.02 -0.13 -0.04 0.88 0.27 1pj2B1 GLN 1520 H -0.03 0.04 -0.59 -0.55 8.47 7.34 1pj2B1 GLN 1520 HA -0.05 0.36 0.69 -0.75 4.36 4.60 1pj2B1 GLN 1520 HB2 -0.02 -0.14 0.14 -0.04 2.15 2.09 1pj2B1 GLN 1520 HB3 -0.02 0.08 0.05 -0.04 2.02 2.08 1pj2B1 GLN 1520 HG2 -0.02 0.09 0.10 -0.04 2.40 2.53 1pj2B1 GLN 1520 HG3 -0.03 0.05 0.07 -0.04 2.39 2.43 1pj2B1 GLN 1520 HE21 -0.02 -0.03 0.06 -0.04 6.97 6.94 1pj2B1 GLN 1520 HE22 -0.02 0.06 0.04 -0.04 7.69 7.74 1pj2B1 GLU 1521 H -0.01 0.13 0.08 -0.55 8.60 8.25 1pj2B1 GLU 1521 HA -0.01 0.06 0.42 -0.75 4.29 4.00 1pj2B1 GLU 1521 HB2 0.00 -0.01 0.08 -0.04 2.09 2.12 1pj2B1 GLU 1521 HB3 -0.00 -0.01 0.16 -0.04 1.99 2.09 1pj2B1 GLU 1521 HG2 0.01 0.24 0.23 -0.04 2.34 2.79 1pj2B1 GLU 1521 HG3 0.01 0.04 -0.15 -0.04 2.34 2.20 1pj2B1 VAL 1522 H 0.01 0.48 -0.21 -0.55 8.24 7.96 1pj2B1 VAL 1522 HA 0.02 0.06 0.35 -0.75 4.13 3.80 1pj2B1 VAL 1522 HB 0.05 0.02 -0.01 -0.04 2.12 2.14 1pj2B1 VAL 1522 HG13 0.11 0.02 -0.12 -0.04 0.97 0.93 1pj2B1 VAL 1522 HG23 0.09 0.05 -0.13 -0.04 0.95 0.93 1pj2B1 SER 1523 H -0.03 0.44 -0.29 -0.55 8.46 8.04 1pj2B1 SER 1523 HA -0.05 -0.03 0.40 -0.75 4.49 4.06 1pj2B1 SER 1523 HB2 -0.06 0.37 0.08 -0.04 3.95 4.29 1pj2B1 SER 1523 HB3 -0.09 -0.13 -0.18 -0.04 3.93 3.49 1pj2B1 ILE 1524 H -0.03 0.56 -0.10 -0.55 8.25 8.13 1pj2B1 ILE 1524 HA -0.03 0.06 0.40 -0.75 4.18 3.86 1pj2B1 ILE 1524 HB -0.01 0.03 0.12 -0.04 1.89 1.99 1pj2B1 ILE 1524 HG12 -0.02 0.40 0.09 -0.04 1.49 1.92 1pj2B1 ILE 1524 HG13 -0.02 -0.08 -0.04 -0.04 1.21 1.03 1pj2B1 ILE 1524 HG23 -0.01 -0.02 -0.11 -0.04 0.93 0.75 1pj2B1 ILE 1524 HD13 -0.03 -0.02 -0.07 -0.04 0.88 0.73 1pj2B1 ASN 1525 H -0.01 0.68 -0.13 -0.55 8.53 8.53 1pj2B1 ASN 1525 HA 0.00 -0.07 0.39 -0.75 4.76 4.33 1pj2B1 ASN 1525 HB2 0.00 0.18 0.20 -0.04 2.88 3.22 1pj2B1 ASN 1525 HB3 0.00 -0.01 -0.03 -0.04 2.79 2.72 1pj2B1 ASN 1525 HD21 0.01 -0.11 -0.04 -0.04 7.03 6.84 1pj2B1 ASN 1525 HD22 0.01 0.00 -0.12 -0.04 7.74 7.59 1pj2B1 ILE 1526 H -0.02 0.58 -0.19 -0.55 8.25 8.08 1pj2B1 ILE 1526 HA -0.02 0.01 0.41 -0.75 4.18 3.82 1pj2B1 ILE 1526 HB -0.05 0.09 0.19 -0.04 1.89 2.08 1pj2B1 ILE 1526 HG12 -0.01 -0.05 -0.18 -0.04 1.49 1.20 1pj2B1 ILE 1526 HG13 -0.00 0.34 0.02 -0.04 1.21 1.52 1pj2B1 ILE 1526 HG23 -0.07 -0.02 -0.16 -0.04 0.93 0.63 1pj2B1 ILE 1526 HD13 -0.00 -0.06 -0.03 -0.04 0.88 0.75 1pj2B1 ALA 1527 H -0.03 0.74 0.01 -0.55 8.40 8.57 1pj2B1 ALA 1527 HA -0.03 0.04 0.36 -0.75 4.34 3.95 1pj2B1 ALA 1527 HB3 -0.02 0.02 0.13 -0.04 1.41 1.49 1pj2B1 ILE 1528 H 0.01 0.54 -0.35 -0.55 8.25 7.90 1pj2B1 ILE 1528 HA 0.06 0.01 0.37 -0.75 4.18 3.87 1pj2B1 ILE 1528 HB 0.02 0.16 0.11 -0.04 1.89 2.13 1pj2B1 ILE 1528 HG12 0.03 -0.05 -0.01 -0.04 1.49 1.41 1pj2B1 ILE 1528 HG13 0.01 0.57 0.10 -0.04 1.21 1.85 1pj2B1 ILE 1528 HG23 0.04 -0.05 -0.16 -0.04 0.93 0.71 1pj2B1 ILE 1528 HD13 0.01 -0.06 -0.04 -0.04 0.88 0.75 1pj2B1 LYS 1529 H 0.01 0.52 -0.07 -0.55 8.42 8.32 1pj2B1 LYS 1529 HA 0.04 -0.03 0.42 -0.75 4.32 3.99 1pj2B1 LYS 1529 HB2 -0.01 0.18 0.24 -0.04 1.87 2.24 1pj2B1 LYS 1529 HB3 -0.00 -0.05 0.01 -0.04 1.79 1.70 1pj2B1 LYS 1529 HG2 0.01 0.06 0.10 -0.04 1.46 1.59 1pj2B1 LYS 1529 HG3 -0.00 0.02 0.06 -0.04 1.46 1.50 1pj2B1 LYS 1529 HD2 0.01 -0.00 0.00 -0.04 1.69 1.66 1pj2B1 LYS 1529 HD3 0.02 -0.07 0.04 -0.04 1.68 1.63 1pj2B1 LYS 1529 HE2 0.01 0.08 -0.01 -0.04 2.99 3.03 1pj2B1 LYS 1529 HE3 0.01 -0.04 -0.01 -0.04 2.99 2.92 1pj2B1 VAL 1530 H -0.00 0.64 -0.07 -0.55 8.24 8.26 1pj2B1 VAL 1530 HA 0.06 -0.02 0.31 -0.75 4.13 3.73 1pj2B1 VAL 1530 HB -0.02 0.14 0.05 -0.04 2.12 2.24 1pj2B1 VAL 1530 HG13 -0.02 -0.02 -0.09 -0.04 0.97 0.79 1pj2B1 VAL 1530 HG23 -0.12 0.03 -0.08 -0.04 0.95 0.74 1pj2B1 THR 1531 H 0.08 0.58 -0.24 -0.55 8.28 8.15 1pj2B1 THR 1531 HA 0.12 0.04 0.45 -0.75 4.39 4.25 1pj2B1 THR 1531 HB 0.26 -0.02 0.06 -0.04 4.32 4.58 1pj2B1 THR 1531 HG23 0.13 0.16 0.08 -0.04 1.22 1.55 1pj2B1 GLU 1532 H 0.11 0.54 -0.14 -0.55 8.60 8.56 1pj2B1 GLU 1532 HA 0.09 0.01 0.50 -0.75 4.29 4.14 1pj2B1 GLU 1532 HB2 0.08 0.17 0.21 -0.04 2.09 2.51 1pj2B1 GLU 1532 HB3 0.05 -0.08 0.07 -0.04 1.99 1.99 1pj2B1 GLU 1532 HG2 0.01 -0.05 0.08 -0.04 2.34 2.33 1pj2B1 GLU 1532 HG3 0.05 0.22 0.12 -0.04 2.34 2.69 1pj2B1 TYR 1533 H 0.20 0.58 -0.13 -0.55 8.29 8.39 1pj2B1 TYR 1533 HA 0.02 -0.01 0.39 -0.75 4.56 4.20 1pj2B1 TYR 1533 HB2 0.01 -0.00 0.03 -0.04 3.06 3.05 1pj2B1 TYR 1533 HB3 0.00 0.12 0.18 -0.04 2.98 3.24 1pj2B1 TYR 1533 HD2 0.00 0.02 -0.08 -0.04 7.15 7.05 1pj2B1 TYR 1533 HE2 0.02 -0.07 -0.16 -0.04 6.85 6.60 1pj2B1 LEU 1534 H 0.15 0.80 -0.03 -0.55 8.37 8.74 1pj2B1 LEU 1534 HA -0.12 -0.04 0.28 -0.75 4.35 3.72 1pj2B1 LEU 1534 HB2 -0.00 0.07 0.19 -0.04 1.64 1.86 1pj2B1 LEU 1534 HB3 -0.13 0.07 -0.02 -0.04 1.64 1.52 1pj2B1 LEU 1534 HG 0.13 0.07 0.04 -0.04 1.64 1.83 1pj2B1 LEU 1534 HD13 0.02 -0.03 -0.17 -0.04 0.93 0.70 1pj2B1 LEU 1534 HD23 0.05 -0.03 -0.02 -0.04 0.89 0.85 1pj2B1 TYR 1535 H 0.13 0.52 -0.18 -0.55 8.29 8.21 1pj2B1 TYR 1535 HA -0.13 0.15 0.54 -0.75 4.56 4.36 1pj2B1 TYR 1535 HB2 -0.06 0.08 0.21 -0.04 3.06 3.24 1pj2B1 TYR 1535 HB3 -0.08 -0.08 -0.02 -0.04 2.98 2.76 1pj2B1 TYR 1535 HD2 -0.07 0.12 0.04 -0.04 7.15 7.20 1pj2B1 TYR 1535 HE2 -0.09 -0.01 -0.04 -0.04 6.85 6.67 1pj2B1 ALA 1536 H 0.04 0.64 -0.03 -0.55 8.40 8.51 1pj2B1 ALA 1536 HA -0.01 -0.07 0.39 -0.75 4.34 3.90 1pj2B1 ALA 1536 HB3 -0.03 -0.01 0.15 -0.04 1.41 1.48 1pj2B1 ASN 1537 H -0.18 0.31 -0.93 -0.55 8.53 7.19 1pj2B1 ASN 1537 HA -0.13 0.08 0.87 -0.75 4.76 4.83 1pj2B1 ASN 1537 HB2 -0.42 0.13 0.03 -0.04 2.88 2.58 1pj2B1 ASN 1537 HB3 -0.21 -0.12 0.17 -0.04 2.79 2.59 1pj2B1 ASN 1537 HD21 -0.43 -0.13 -0.10 -0.04 7.03 6.34 1pj2B1 ASN 1537 HD22 -0.61 0.72 0.00 -0.04 7.74 7.80 1pj2B1 LYS 1538 H -0.11 0.60 -0.16 -0.55 8.42 8.20 1pj2B1 LYS 1538 HA -0.20 0.11 0.29 -0.75 4.32 3.77 1pj2B1 LYS 1538 HB2 -0.07 0.03 -0.07 -0.04 1.87 1.72 1pj2B1 LYS 1538 HB3 -0.11 -0.05 0.09 -0.04 1.79 1.68 1pj2B1 LYS 1538 HG2 -0.06 -0.01 -0.20 -0.04 1.46 1.15 1pj2B1 LYS 1538 HG3 -0.04 -0.11 -0.05 -0.04 1.46 1.22 1pj2B1 LYS 1538 HD2 -0.05 -0.08 0.02 -0.04 1.69 1.53 1pj2B1 LYS 1538 HD3 -0.07 0.25 0.10 -0.04 1.68 1.91 1pj2B1 LYS 1538 HE2 -0.02 -0.05 0.00 -0.04 2.99 2.88 1pj2B1 LYS 1538 HE3 -0.03 0.12 -0.02 -0.04 2.99 3.02 1pj2B1 ALA 1540 HA -0.32 -0.04 0.17 -0.75 4.34 3.40 1pj2B1 ALA 1540 HB3 -1.19 -0.04 -0.01 -0.04 1.41 0.13 1pj2B1 PHE 1541 H -0.01 0.59 0.14 -0.55 8.34 8.51 1pj2B1 PHE 1541 HA -0.02 0.15 0.86 -0.75 4.62 4.84 1pj2B1 PHE 1541 HB2 -0.00 0.21 0.11 -0.04 3.15 3.43 1pj2B1 PHE 1541 HB3 0.02 -0.13 0.18 -0.04 3.06 3.09 1pj2B1 PHE 1541 HD2 -0.03 0.03 0.01 -0.04 7.28 7.25 1pj2B1 PHE 1541 HE2 -0.02 -0.11 0.03 -0.04 7.38 7.24 1pj2B1 PHE 1541 HZ 0.00 -0.03 0.05 -0.04 7.32 7.30 1pj2B1 ARG 1542 H -0.03 0.22 -0.02 -0.55 8.46 8.07 1pj2B1 ARG 1542 HA 0.18 0.04 0.52 -0.75 4.34 4.33 1pj2B1 ARG 1542 HB2 0.14 0.01 -0.15 -0.04 1.90 1.85 1pj2B1 ARG 1542 HB3 0.21 -0.08 0.14 -0.04 1.80 2.03 1pj2B1 ARG 1542 HG2 0.13 -0.06 -0.03 -0.04 1.67 1.68 1pj2B1 ARG 1542 HG3 0.26 0.25 0.06 -0.04 1.67 2.20 1pj2B1 ARG 1542 HD2 0.02 -0.07 -0.16 -0.04 3.22 2.98 1pj2B1 ARG 1542 HD3 0.06 0.03 -0.83 -0.04 3.22 2.44 1pj2B1 TYR 1543 H 0.32 0.20 0.18 -0.55 8.29 8.44 1pj2B1 TYR 1543 HA 0.07 0.04 0.62 -0.75 4.56 4.54 1pj2B1 TYR 1543 HB2 0.05 -0.11 0.04 -0.04 3.06 3.00 1pj2B1 TYR 1543 HB3 0.07 0.08 -0.08 -0.04 2.98 3.01 1pj2B1 TYR 1543 HD2 0.06 0.05 0.01 -0.04 7.15 7.23 1pj2B1 TYR 1543 HE2 0.04 -0.03 -0.01 -0.04 6.85 6.82 1pj2B1 PRO 1544 HA 0.15 -0.00 0.35 -0.51 4.44 4.43 1pj2B1 PRO 1544 HB2 -0.02 0.07 -0.11 -0.04 2.28 2.18 1pj2B1 PRO 1544 HB3 0.05 -0.03 0.06 -0.04 2.02 2.06 1pj2B1 PRO 1544 HG2 -0.01 -0.01 0.04 -0.04 2.03 2.00 1pj2B1 PRO 1544 HG3 0.05 -0.01 0.00 -0.04 2.03 2.03 1pj2B1 PRO 1544 HD2 -0.09 0.06 0.19 -0.04 3.68 3.80 1pj2B1 PRO 1544 HD3 -0.25 0.16 0.39 -0.04 3.65 3.90 1pj2B1 GLU 1545 H 0.03 0.01 0.10 -0.55 8.60 8.20 1pj2B1 GLU 1545 HA -0.22 0.29 0.48 -0.75 4.29 4.08 1pj2B1 GLU 1545 HB2 0.02 0.04 0.08 -0.04 2.09 2.19 1pj2B1 GLU 1545 HB3 -0.12 -0.13 0.08 -0.04 1.99 1.77 1pj2B1 GLU 1545 HG2 -0.51 0.13 -0.31 -0.04 2.34 1.60 1pj2B1 GLU 1545 HG3 -1.66 0.06 0.02 -0.04 2.34 0.72 1pj2B1 PRO 1546 HA -0.18 -0.01 0.47 -0.51 4.44 4.22 1pj2B1 PRO 1546 HB2 -0.21 -0.06 -0.24 -0.04 2.28 1.73 1pj2B1 PRO 1546 HB3 -0.41 0.09 0.00 -0.04 2.02 1.67 1pj2B1 PRO 1546 HG2 -0.56 -0.06 -0.04 -0.04 2.03 1.34 1pj2B1 PRO 1546 HG3 -1.46 0.08 -0.01 -0.04 2.03 0.60 1pj2B1 PRO 1546 HD2 -0.95 0.08 0.19 -0.04 3.68 2.95 1pj2B1 PRO 1546 HD3 -0.56 0.32 0.17 -0.04 3.65 3.54 1pj2B1 GLU 1547 H -0.09 0.10 0.10 -0.55 8.60 8.16 1pj2B1 GLU 1547 HA -0.10 0.12 0.40 -0.75 4.29 3.96 1pj2B1 GLU 1547 HB2 -0.04 -0.13 0.18 -0.04 2.09 2.05 1pj2B1 GLU 1547 HB3 -0.04 -0.01 0.02 -0.04 1.99 1.92 1pj2B1 GLU 1547 HG2 -0.06 0.07 0.08 -0.04 2.34 2.39 1pj2B1 GLU 1547 HG3 -0.03 -0.02 0.05 -0.04 2.34 2.29 1pj2B1 ASP 1548 H -0.04 0.10 -0.03 -0.55 8.40 7.88 1pj2B1 ASP 1548 HA -0.02 0.14 0.65 -0.75 4.63 4.64 1pj2B1 ASP 1548 HB2 -0.01 0.05 0.07 -0.04 2.71 2.78 1pj2B1 ASP 1548 HB3 0.01 0.02 0.17 -0.04 2.70 2.86 1pj2B1 LYS 1549 H -0.03 0.32 0.11 -0.55 8.42 8.26 1pj2B1 LYS 1549 HA 0.05 0.15 0.32 -0.75 4.32 4.09 1pj2B1 LYS 1549 HB2 0.01 -0.05 0.13 -0.04 1.87 1.92 1pj2B1 LYS 1549 HB3 0.07 0.05 -0.02 -0.04 1.79 1.85 1pj2B1 LYS 1549 HG2 -0.01 0.01 -0.07 -0.04 1.46 1.36 1pj2B1 LYS 1549 HG3 -0.10 0.04 -0.04 -0.04 1.46 1.32 1pj2B1 LYS 1549 HD2 -0.16 -0.02 -0.22 -0.04 1.69 1.25 1pj2B1 LYS 1549 HD3 -0.09 -0.06 0.07 -0.04 1.68 1.57 1pj2B1 LYS 1549 HE2 -0.21 -0.06 0.01 -0.04 2.99 2.69 1pj2B1 LYS 1549 HE3 -0.60 0.01 -0.01 -0.04 2.99 2.35 1pj2B1 ALA 1550 H 0.03 0.09 -0.09 -0.55 8.40 7.88 1pj2B1 ALA 1550 HA 0.04 0.13 0.38 -0.75 4.34 4.14 1pj2B1 ALA 1550 HB3 0.02 0.01 0.05 -0.04 1.41 1.45 1pj2B1 LYS 1551 H 0.03 0.03 -0.23 -0.55 8.42 7.69 1pj2B1 LYS 1551 HA 0.02 0.03 0.31 -0.75 4.32 3.92 1pj2B1 LYS 1551 HB2 0.02 -0.07 0.07 -0.04 1.87 1.85 1pj2B1 LYS 1551 HB3 0.04 0.12 0.05 -0.04 1.79 1.96 1pj2B1 LYS 1551 HG2 0.03 0.07 -0.14 -0.04 1.46 1.38 1pj2B1 LYS 1551 HG3 0.01 -0.01 0.03 -0.04 1.46 1.46 1pj2B1 LYS 1551 HD2 0.01 -0.04 0.01 -0.04 1.69 1.62 1pj2B1 LYS 1551 HD3 0.02 -0.02 -0.01 -0.04 1.68 1.63 1pj2B1 LYS 1551 HE2 0.01 0.04 -0.02 -0.04 2.99 2.98 1pj2B1 LYS 1551 HE3 0.01 0.01 -0.01 -0.04 2.99 2.95 1pj2B1 TYR 1552 H 0.15 0.26 -0.51 -0.55 8.29 7.64 1pj2B1 TYR 1552 HA -0.01 0.00 0.38 -0.75 4.56 4.18 1pj2B1 TYR 1552 HB2 -0.03 -0.06 0.03 -0.04 3.06 2.96 1pj2B1 TYR 1552 HB3 -0.01 0.15 0.21 -0.04 2.98 3.28 1pj2B1 TYR 1552 HD2 0.01 -0.05 -0.04 -0.04 7.15 7.03 1pj2B1 TYR 1552 HE2 0.06 -0.01 -0.10 -0.04 6.85 6.76 1pj2B1 VAL 1553 H 0.07 0.57 0.03 -0.55 8.24 8.36 1pj2B1 VAL 1553 HA -0.26 0.11 0.46 -0.75 4.13 3.69 1pj2B1 VAL 1553 HB 0.01 0.00 0.11 -0.04 2.12 2.20 1pj2B1 VAL 1553 HG13 -0.03 0.00 -0.17 -0.04 0.97 0.73 1pj2B1 VAL 1553 HG23 0.09 0.02 -0.08 -0.04 0.95 0.95 1pj2B1 LYS 1554 H -0.02 0.48 -0.06 -0.55 8.42 8.26 1pj2B1 LYS 1554 HA -0.04 0.08 0.45 -0.75 4.32 4.06 1pj2B1 LYS 1554 HB2 -0.01 0.02 0.03 -0.04 1.87 1.87 1pj2B1 LYS 1554 HB3 -0.02 -0.04 0.01 -0.04 1.79 1.70 1pj2B1 LYS 1554 HG2 -0.02 -0.01 -0.01 -0.04 1.46 1.39 1pj2B1 LYS 1554 HG3 -0.01 0.04 0.01 -0.04 1.46 1.46 1pj2B1 LYS 1554 HD2 -0.00 -0.04 -0.14 -0.04 1.69 1.47 1pj2B1 LYS 1554 HD3 -0.01 -0.03 -0.05 -0.04 1.68 1.55 1pj2B1 LYS 1554 HE2 -0.01 0.01 -0.04 -0.04 2.99 2.91 1pj2B1 LYS 1554 HE3 0.00 0.01 -0.06 -0.04 2.99 2.91 1pj2B1 GLU 1555 H -0.06 0.36 -0.34 -0.55 8.60 8.01 1pj2B1 GLU 1555 HA -0.04 -0.01 0.50 -0.75 4.29 3.99 1pj2B1 GLU 1555 HB2 -0.06 0.20 0.14 -0.04 2.09 2.33 1pj2B1 GLU 1555 HB3 -0.03 -0.06 0.04 -0.04 1.99 1.89 1pj2B1 GLU 1555 HG2 -0.01 -0.09 0.05 -0.04 2.34 2.25 1pj2B1 GLU 1555 HG3 -0.01 0.06 0.08 -0.04 2.34 2.43 1pj2B1 ARG 1556 H -0.12 0.27 -0.49 -0.55 8.46 7.57 1pj2B1 ARG 1556 HA -0.05 0.18 0.93 -0.75 4.34 4.65 1pj2B1 ARG 1556 HB2 -0.24 0.08 0.12 -0.04 1.90 1.82 1pj2B1 ARG 1556 HB3 -0.11 -0.06 0.19 -0.04 1.80 1.78 1pj2B1 ARG 1556 HG2 -0.09 -0.05 -0.03 -0.04 1.67 1.46 1pj2B1 ARG 1556 HG3 -0.17 -0.08 -0.25 -0.04 1.67 1.13 1pj2B1 ARG 1556 HD2 -0.87 0.10 -0.01 -0.04 3.22 2.40 1pj2B1 ARG 1556 HD3 -0.25 -0.02 0.01 -0.04 3.22 2.92 1pj2B1 THR 1557 H -0.03 0.19 -0.24 -0.55 8.28 7.65 1pj2B1 THR 1557 HA 0.03 0.26 0.81 -0.75 4.39 4.74 1pj2B1 THR 1557 HB 0.03 -0.00 0.02 -0.04 4.32 4.32 1pj2B1 THR 1557 HG23 -0.02 0.07 -0.00 -0.04 1.22 1.23 1pj2B1 TRP 1558 H 0.22 0.54 0.24 -0.55 7.97 8.43 1pj2B1 TRP 1558 HA -0.05 0.03 0.51 -0.75 4.62 4.35 1pj2B1 TRP 1558 HB2 -0.07 -0.02 0.02 -0.04 3.23 3.11 1pj2B1 TRP 1558 HB3 -0.10 -0.03 -0.16 -0.04 3.23 2.91 1pj2B1 TRP 1558 HD1 -0.03 -0.01 0.03 -0.04 7.22 7.16 1pj2B1 TRP 1558 HE1 -0.02 -0.02 0.02 -0.04 10.20 10.14 1pj2B1 TRP 1558 HE3 -0.18 -0.01 -0.34 -0.04 7.59 7.02 1pj2B1 TRP 1558 HZ2 0.02 -0.03 -0.04 -0.04 7.44 7.35 1pj2B1 TRP 1558 HZ3 -0.24 -0.07 -0.20 -0.04 7.13 6.58 1pj2B1 TRP 1558 HH2 0.13 -0.04 -0.12 -0.04 7.19 7.12 1pj2B1 ARG 1559 H -0.57 0.13 0.18 -0.55 8.46 7.65 1pj2B1 ARG 1559 HA -0.32 0.17 0.77 -0.75 4.34 4.20 1pj2B1 ARG 1559 HB2 -0.39 0.05 0.07 -0.04 1.90 1.59 1pj2B1 ARG 1559 HB3 -0.29 -0.18 0.09 -0.04 1.80 1.38 1pj2B1 ARG 1559 HG2 -0.16 0.19 -0.03 -0.04 1.67 1.63 1pj2B1 ARG 1559 HG3 -0.15 -0.04 0.01 -0.04 1.67 1.45 1pj2B1 ARG 1559 HD2 -0.13 -0.12 0.00 -0.04 3.22 2.93 1pj2B1 ARG 1559 HD3 -0.11 0.11 -0.17 -0.04 3.22 3.00 1pj2B1 SER 1560 H -0.38 0.12 0.11 -0.55 8.46 7.76 1pj2B1 SER 1560 HA -0.93 0.20 0.64 -0.75 4.49 3.64 1pj2B1 SER 1560 HB2 -0.12 0.10 0.04 -0.04 3.95 3.93 1pj2B1 SER 1560 HB3 -0.10 0.04 -0.08 -0.04 3.93 3.75 1pj2B1 GLU 1561 H -0.36 -0.03 -0.20 -0.55 8.60 7.47 1pj2B1 GLU 1561 HA -0.29 -0.03 0.45 -0.75 4.29 3.67 1pj2B1 GLU 1561 HB2 -0.19 0.03 -0.01 -0.04 2.09 1.88 1pj2B1 GLU 1561 HB3 -0.12 0.05 0.03 -0.04 1.99 1.90 1pj2B1 GLU 1561 HG2 -0.11 0.01 0.02 -0.04 2.34 2.22 1pj2B1 GLU 1561 HG3 -0.14 -0.03 0.03 -0.04 2.34 2.15 1pj2B1 TYR 1562 H -0.14 -0.03 0.15 -0.55 8.29 7.72 1pj2B1 TYR 1562 HA -0.10 0.15 0.48 -0.75 4.56 4.33 1pj2B1 TYR 1562 HB2 -0.08 -0.14 0.13 -0.04 3.06 2.94 1pj2B1 TYR 1562 HB3 -0.09 0.13 -0.02 -0.04 2.98 2.95 1pj2B1 TYR 1562 HD2 -0.08 -0.03 0.03 -0.04 7.15 7.03 1pj2B1 TYR 1562 HE2 -0.07 -0.03 -0.03 -0.04 6.85 6.67 1pj2B1 ASP 1563 H 0.09 0.20 0.17 -0.55 8.40 8.31 1pj2B1 ASP 1563 HA 0.01 0.09 0.78 -0.75 4.63 4.75 1pj2B1 ASP 1563 HB2 0.05 0.04 0.04 -0.04 2.71 2.79 1pj2B1 ASP 1563 HB3 0.02 0.04 0.07 -0.04 2.70 2.79 1pj2B1 SER 1564 H 0.02 0.10 0.15 -0.55 8.46 8.18 1pj2B1 SER 1564 HA 0.03 0.03 0.56 -0.75 4.49 4.35 1pj2B1 SER 1564 HB2 0.02 -0.00 0.14 -0.04 3.95 4.07 1pj2B1 SER 1564 HB3 0.02 0.08 0.12 -0.04 3.93 4.11 1pj2B1 LEU 1565 H 0.06 0.05 0.19 -0.55 8.37 8.12 1pj2B1 LEU 1565 HA 0.05 0.27 0.81 -0.75 4.35 4.73 1pj2B1 LEU 1565 HB2 0.13 -0.10 0.10 -0.04 1.64 1.72 1pj2B1 LEU 1565 HB3 0.09 0.06 0.17 -0.04 1.64 1.92 1pj2B1 LEU 1565 HG 0.08 0.05 -0.12 -0.04 1.64 1.60 1pj2B1 LEU 1565 HD13 0.25 0.01 0.03 -0.04 0.93 1.17 1pj2B1 LEU 1565 HD23 0.08 0.03 -0.01 -0.04 0.89 0.95 1pj2B1 LEU 1566 H 0.04 -0.11 -0.13 -0.55 8.37 7.63 1pj2B1 LEU 1566 HA 0.02 0.15 0.47 -0.75 4.35 4.23 1pj2B1 LEU 1566 HB2 0.03 -0.06 0.04 -0.04 1.64 1.61 1pj2B1 LEU 1566 HB3 0.02 0.15 0.01 -0.04 1.64 1.78 1pj2B1 LEU 1566 HG 0.03 -0.13 0.04 -0.04 1.64 1.54 1pj2B1 LEU 1566 HD13 0.02 -0.02 -0.00 -0.04 0.93 0.89 1pj2B1 LEU 1566 HD23 0.02 -0.01 -0.16 -0.04 0.89 0.69 1pj2B1 PRO 1567 HA 0.03 0.13 0.47 -0.51 4.44 4.56 1pj2B1 PRO 1567 HB2 -0.00 -0.01 -0.04 -0.04 2.28 2.18 1pj2B1 PRO 1567 HB3 0.00 0.11 0.09 -0.04 2.02 2.18 1pj2B1 PRO 1567 HG2 -0.00 -0.07 -0.01 -0.04 2.03 1.90 1pj2B1 PRO 1567 HG3 -0.01 0.05 0.04 -0.04 2.03 2.06 1pj2B1 PRO 1567 HD2 0.01 -0.01 0.22 -0.04 3.68 3.86 1pj2B1 PRO 1567 HD3 0.00 0.27 0.21 -0.04 3.65 4.10 1pj2B1 ASP 1568 H 0.05 0.15 0.10 -0.55 8.40 8.15 1pj2B1 ASP 1568 HA 0.10 0.09 0.49 -0.75 4.63 4.55 1pj2B1 ASP 1568 HB2 0.09 0.05 0.13 -0.04 2.71 2.94 1pj2B1 ASP 1568 HB3 0.19 -0.03 0.20 -0.04 2.70 3.02 1pj2B1 VAL 1569 H 0.08 0.28 0.19 -0.55 8.24 8.24 1pj2B1 VAL 1569 HA -0.10 0.15 0.82 -0.75 4.13 4.25 1pj2B1 VAL 1569 HB 0.01 -0.03 0.07 -0.04 2.12 2.13 1pj2B1 VAL 1569 HG13 -0.07 -0.02 -0.09 -0.04 0.97 0.75 1pj2B1 VAL 1569 HG23 -0.02 0.07 -0.14 -0.04 0.95 0.81 1pj2B1 TYR 1570 H -0.35 0.28 0.17 -0.55 8.29 7.84 1pj2B1 TYR 1570 HA 0.01 0.03 0.51 -0.75 4.56 4.36 1pj2B1 TYR 1570 HB2 0.06 0.00 0.02 -0.04 3.06 3.11 1pj2B1 TYR 1570 HB3 0.03 0.15 -0.19 -0.04 2.98 2.93 1pj2B1 TYR 1570 HD2 0.12 0.06 -0.52 -0.04 7.15 6.77 1pj2B1 TYR 1570 HE2 0.27 0.01 -0.08 -0.04 6.85 7.01 1pj2B1 GLU 1571 H 0.16 0.12 0.13 -0.55 8.60 8.46 1pj2B1 GLU 1571 HA 0.01 0.08 0.65 -0.75 4.29 4.27 1pj2B1 GLU 1571 HB2 0.10 -0.02 0.11 -0.04 2.09 2.24 1pj2B1 GLU 1571 HB3 0.10 0.13 -0.01 -0.04 1.99 2.16 1pj2B1 GLU 1571 HG2 0.01 0.02 0.02 -0.04 2.34 2.35 1pj2B1 GLU 1571 HG3 0.03 -0.04 -0.01 -0.04 2.34 2.28 1pj2B1 TRP 1572 H 0.21 0.09 0.19 -0.55 7.97 7.92 1pj2B1 TRP 1572 HA 0.10 0.19 0.66 -0.75 4.62 4.81 1pj2B1 TRP 1572 HB2 0.00 -0.03 0.14 -0.04 3.23 3.31 1pj2B1 TRP 1572 HB3 0.03 -0.04 -0.02 -0.04 3.23 3.16 1pj2B1 TRP 1572 HD1 0.21 0.07 -0.18 -0.04 7.22 7.28 1pj2B1 TRP 1572 HE1 0.19 0.03 -0.03 -0.04 10.20 10.35 1pj2B1 TRP 1572 HE3 0.00 -0.03 -0.00 -0.04 7.59 7.52 1pj2B1 TRP 1572 HZ2 0.03 0.02 0.00 -0.04 7.44 7.45 1pj2B1 TRP 1572 HZ3 0.00 -0.02 0.00 -0.04 7.13 7.07 1pj2B1 TRP 1572 HH2 0.01 -0.01 0.00 -0.04 7.19 7.15 1pj2B1 PRO 1573 HA 0.08 0.14 0.37 -0.51 4.44 4.52 1pj2B1 PRO 1573 HB2 -0.04 0.01 0.09 -0.04 2.28 2.30 1pj2B1 PRO 1573 HB3 0.01 0.02 0.06 -0.04 2.02 2.07 1pj2B1 PRO 1573 HG2 -0.03 0.04 0.05 -0.04 2.03 2.05 1pj2B1 PRO 1573 HG3 0.05 0.07 -0.03 -0.04 2.03 2.08 1pj2B1 PRO 1573 HD2 -0.15 0.09 0.17 -0.04 3.68 3.74 1pj2B1 PRO 1573 HD3 0.15 0.23 0.20 -0.04 3.65 4.19