============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 84 rings ring int. center anis. iso. PHE 14 1.000 28.009 21.893 24.334 -99.200 -91.000 HIS 26 0.900 14.497 31.588 16.745 -99.200 -91.000 TYR 42 0.840 33.098 13.726 8.143 -99.200 -91.000 HIS 43 0.900 27.747 11.732 2.884 -99.200 -91.000 HIS 46 0.900 31.392 23.143 1.709 -99.200 -91.000 TRP 53 1.040 32.849 24.810 -8.271 -99.200 -91.000 TRP6 53 1.020 32.973 22.937 -6.880 -99.200 -91.000 PHE 61 1.000 21.328 25.272 8.072 -99.200 -91.000 HIS 65 0.900 13.403 27.961 13.127 -99.200 -91.000 TYR 71 0.840 24.490 33.322 10.697 -99.200 -91.000 PHE 73 1.000 28.940 23.368 7.263 -99.200 -91.000 HIS 75 0.900 34.893 30.553 12.784 -99.200 -91.000 TYR 79 0.840 31.557 28.504 3.167 -99.200 -91.000 PHE 89 1.000 22.487 34.373 16.419 -99.200 -91.000 HIS 93 0.900 24.586 48.952 11.333 -99.200 -91.000 HIS 99 0.900 14.809 34.688 11.363 -99.200 -91.000 PHE 124 1.000 19.296 27.805 -4.800 -99.200 -91.000 HIS 141 0.900 24.427 21.565 -8.225 -99.200 -91.000 TYR 144 0.840 23.200 17.152 0.209 -99.200 -91.000 TYR 158 0.840 1.143 20.240 2.079 -99.200 -91.000 HIS 167 0.900 9.335 19.798 -14.290 -99.200 -91.000 PHE 172 1.000 14.351 18.990 -2.853 -99.200 -91.000 TYR 176 0.840 9.345 16.513 8.891 -99.200 -91.000 PHE 191 1.000 1.873 17.564 9.535 -99.200 -91.000 PHE 198 1.000 7.392 15.418 1.442 -99.200 -91.000 PHE 203 1.000 9.831 14.816 -2.858 -99.200 -91.000 HIS 211 0.900 19.349 13.751 17.944 -99.200 -91.000 TYR 213 0.840 27.057 11.125 15.590 -99.200 -91.000 HIS 249 0.900 6.427 24.724 25.400 -99.200 -91.000 HIS 252 0.900 10.832 27.857 17.737 -99.200 -91.000 PHE 270 1.000 32.790 20.585 23.563 -99.200 -91.000 PHE 276 1.000 30.804 32.813 21.379 -99.200 -91.000 HIS 277 0.900 37.574 24.623 23.467 -99.200 -91.000 PHE 286 1.000 32.636 20.726 11.764 -99.200 -91.000 TRP 300 1.040 32.941 22.381 -12.677 -99.200 -91.000 TRP6 300 1.020 32.901 24.674 -13.220 -99.200 -91.000 PHE 321 1.000 21.150 42.322 -19.171 -99.200 -91.000 TYR 326 0.840 14.687 45.837 -25.254 -99.200 -91.000 PHE 329 1.000 5.982 46.822 -28.952 -99.200 -91.000 PHE 354 1.000 13.892 37.001 -20.126 -99.200 -91.000 HIS 370 0.900 4.338 32.655 -29.192 -99.200 -91.000 PHE 374 1.000 12.970 22.973 -16.212 -99.200 -91.000 HIS 381 0.900 3.991 24.627 -19.919 -99.200 -91.000 PHE 382 1.000 7.256 28.542 -12.766 -99.200 -91.000 HIS 387 0.900 4.036 31.793 -1.065 -99.200 -91.000 PHE 395 1.000 14.916 27.968 -12.625 -99.200 -91.000 TYR 398 0.840 22.368 26.480 -10.759 -99.200 -91.000 PHE 401 1.000 19.475 28.868 -15.422 -99.200 -91.000 PHE 404 1.000 8.972 34.879 -18.335 -99.200 -91.000 PHE 408 1.000 -5.627 36.396 -15.100 -99.200 -91.000 PHE 409 1.000 -0.960 44.689 -9.804 -99.200 -91.000 PHE 411 1.000 -6.260 35.399 -8.826 -99.200 -91.000 TYR 414 0.840 -3.968 32.875 -4.185 -99.200 -91.000 HIS 428 0.900 11.537 36.146 -9.394 -99.200 -91.000 PHE 429 1.000 14.171 40.801 -14.931 -99.200 -91.000 PHE 430 1.000 8.456 38.766 -8.706 -99.200 -91.000 PHE 432 1.000 2.932 40.758 -10.290 -99.200 -91.000 HIS 434 0.900 -5.836 39.505 -17.867 -99.200 -91.000 HIS 446 0.900 -11.062 36.363 -11.052 -99.200 -91.000 PHE 455 1.000 3.715 43.362 -5.861 -99.200 -91.000 PHE 460 1.000 8.896 43.917 -6.795 -99.200 -91.000 PHE 463 1.000 10.049 49.833 -14.498 -99.200 -91.000 TRP 475 1.040 10.513 43.969 -20.118 -99.200 -91.000 TRP6 475 1.020 11.414 42.273 -18.767 -99.200 -91.000 PHE 487 1.000 8.774 44.769 -16.572 -99.200 -91.000 PHE 502 1.000 12.477 68.356 -18.483 -99.200 -91.000 TYR 510 0.840 7.329 60.126 -20.193 -99.200 -91.000 PHE 520 1.000 -7.088 72.934 -13.347 -99.200 -91.000 TRP 530 1.040 -3.720 58.148 -25.409 -99.200 -91.000 TRP6 530 1.020 -4.169 60.074 -26.732 -99.200 -91.000 PHE 544 1.000 -10.104 76.410 -16.608 -99.200 -91.000 PHE 553 1.000 4.738 56.801 -5.539 -99.200 -91.000 PHE 556 1.000 7.777 62.395 -10.273 -99.200 -91.000 TYR 563 0.840 12.184 64.961 -14.153 -99.200 -91.000 HIS 579 0.900 -8.026 53.233 -1.362 -99.200 -91.000 TYR 584 0.840 -4.426 62.377 -1.576 -99.200 -91.000 PHE 586 1.000 5.901 61.818 -6.338 -99.200 -91.000 HIS 588 0.900 -1.297 70.507 -5.171 -99.200 -91.000 TYR 591 0.840 -11.879 61.015 -11.131 -99.200 -91.000 PHE 596 1.000 -12.599 44.854 -2.060 -99.200 -91.000 PHE 606 1.000 -11.374 51.173 -17.273 -99.200 -91.000 PHE 609 1.000 -16.107 51.064 -9.611 -99.200 -91.000 PHE 611 1.000 -10.992 55.642 -13.104 -99.200 -91.000 PHE 619 1.000 -11.671 65.035 -8.502 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3m34A1 ASN 2 HA -0.08 0.02 0.19 -0.75 4.76 4.13 3m34A1 ASN 2 HB2 -0.04 -0.11 0.09 -0.04 2.88 2.77 3m34A1 ASN 2 HB3 -0.05 0.12 0.07 -0.04 2.79 2.89 3m34A1 ASN 2 HD21 -0.03 0.02 0.01 -0.04 7.03 6.99 3m34A1 ASN 2 HD22 -0.04 0.11 0.03 -0.04 7.74 7.80 3m34A1 ILE 3 H -0.05 0.17 0.12 -0.55 8.25 7.93 3m34A1 ILE 3 HA -0.20 0.07 0.20 -0.75 4.18 3.50 3m34A1 ILE 3 HB -0.00 0.01 0.12 -0.04 1.89 1.98 3m34A1 ILE 3 HG12 0.01 0.04 0.09 -0.04 1.49 1.59 3m34A1 ILE 3 HG13 0.07 0.02 0.06 -0.04 1.21 1.32 3m34A1 ILE 3 HG23 0.08 0.01 -0.05 -0.04 0.93 0.93 3m34A1 ILE 3 HD13 0.05 -0.02 -0.03 -0.04 0.88 0.84 3m34A1 GLN 4 H -0.05 0.09 -0.14 -0.55 8.47 7.83 3m34A1 GLN 4 HA -0.01 0.11 0.37 -0.75 4.36 4.07 3m34A1 GLN 4 HB2 -0.02 0.01 0.05 -0.04 2.15 2.15 3m34A1 GLN 4 HB3 -0.00 0.06 0.04 -0.04 2.02 2.08 3m34A1 GLN 4 HG2 -0.00 0.07 0.03 -0.04 2.40 2.46 3m34A1 GLN 4 HG3 0.00 0.00 0.02 -0.04 2.39 2.38 3m34A1 GLN 4 HE21 -0.01 0.02 0.07 -0.04 6.97 7.00 3m34A1 GLN 4 HE22 -0.01 -0.00 0.04 -0.04 7.69 7.68 3m34A1 ILE 5 H -0.06 0.16 -0.20 -0.55 8.25 7.60 3m34A1 ILE 5 HA -0.03 0.02 0.40 -0.75 4.18 3.82 3m34A1 ILE 5 HB -0.03 -0.04 0.06 -0.04 1.89 1.83 3m34A1 ILE 5 HG12 -0.01 0.08 -0.04 -0.04 1.49 1.48 3m34A1 ILE 5 HG13 -0.04 0.03 -0.13 -0.04 1.21 1.03 3m34A1 ILE 5 HG23 -0.05 0.05 0.01 -0.04 0.93 0.89 3m34A1 ILE 5 HD13 -0.03 -0.01 -0.10 -0.04 0.88 0.70 3m34A1 LEU 6 H -0.20 0.51 -0.14 -0.55 8.37 8.00 3m34A1 LEU 6 HA -0.14 0.08 0.32 -0.75 4.35 3.86 3m34A1 LEU 6 HB2 -0.67 -0.01 0.06 -0.04 1.64 0.97 3m34A1 LEU 6 HB3 -0.83 -0.06 -0.04 -0.04 1.64 0.68 3m34A1 LEU 6 HG -0.28 0.14 -0.03 -0.04 1.64 1.43 3m34A1 LEU 6 HD13 -0.24 -0.04 -0.14 -0.04 0.93 0.47 3m34A1 LEU 6 HD23 -0.11 -0.00 -0.15 -0.04 0.89 0.58 3m34A1 GLN 7 H -0.22 0.62 -0.12 -0.55 8.47 8.20 3m34A1 GLN 7 HA 0.08 -0.00 0.51 -0.75 4.36 4.20 3m34A1 GLN 7 HB2 0.07 -0.04 0.14 -0.04 2.15 2.28 3m34A1 GLN 7 HB3 0.02 0.11 0.18 -0.04 2.02 2.29 3m34A1 GLN 7 HG2 0.13 0.05 -0.20 -0.04 2.40 2.33 3m34A1 GLN 7 HG3 0.13 -0.05 0.05 -0.04 2.39 2.48 3m34A1 GLN 7 HE21 0.08 -0.01 0.02 -0.04 6.97 7.01 3m34A1 GLN 7 HE22 0.10 0.03 0.02 -0.04 7.69 7.80 3m34A1 GLU 8 H 0.02 0.45 -0.16 -0.55 8.60 8.37 3m34A1 GLU 8 HA 0.25 0.08 0.47 -0.75 4.29 4.34 3m34A1 GLU 8 HB2 0.07 0.07 0.14 -0.04 2.09 2.33 3m34A1 GLU 8 HB3 0.06 0.04 0.14 -0.04 1.99 2.18 3m34A1 GLU 8 HG2 0.19 -0.02 -0.10 -0.04 2.34 2.36 3m34A1 GLU 8 HG3 0.11 0.06 0.05 -0.04 2.34 2.52 3m34A1 GLN 9 H 0.03 0.66 -0.07 -0.55 8.47 8.55 3m34A1 GLN 9 HA 0.27 -0.01 0.45 -0.75 4.36 4.31 3m34A1 GLN 9 HB2 -0.04 0.08 0.19 -0.04 2.15 2.34 3m34A1 GLN 9 HB3 -0.07 0.01 0.01 -0.04 2.02 1.93 3m34A1 GLN 9 HG2 -0.53 -0.02 0.08 -0.04 2.40 1.88 3m34A1 GLN 9 HG3 -0.14 0.00 0.06 -0.04 2.39 2.28 3m34A1 GLN 9 HE21 -0.76 0.09 -0.12 -0.04 6.97 6.14 3m34A1 GLN 9 HE22 -2.26 0.00 -0.03 -0.04 7.69 5.35 3m34A1 ALA 10 H 0.11 0.67 -0.13 -0.55 8.40 8.50 3m34A1 ALA 10 HA 0.16 0.08 0.36 -0.75 4.34 4.18 3m34A1 ALA 10 HB3 0.18 -0.02 -0.03 -0.04 1.41 1.50 3m34A1 ASN 11 H 0.09 0.57 -0.18 -0.55 8.53 8.47 3m34A1 ASN 11 HA -0.37 -0.00 0.53 -0.75 4.76 4.16 3m34A1 ASN 11 HB2 0.18 0.13 0.18 -0.04 2.88 3.33 3m34A1 ASN 11 HB3 -0.25 -0.04 0.06 -0.04 2.79 2.52 3m34A1 ASN 11 HD21 0.09 -0.08 0.03 -0.04 7.03 7.03 3m34A1 ASN 11 HD22 0.20 0.06 0.02 -0.04 7.74 7.98 3m34A1 THR 12 H 0.22 0.53 -0.20 -0.55 8.28 8.28 3m34A1 THR 12 HA 0.30 0.02 0.46 -0.75 4.39 4.41 3m34A1 THR 12 HB 0.32 0.16 0.20 -0.04 4.32 4.96 3m34A1 THR 12 HG23 0.20 0.01 -0.00 -0.04 1.22 1.39 3m34A1 LEU 13 H 0.11 0.50 -0.20 -0.55 8.37 8.23 3m34A1 LEU 13 HA -0.01 0.01 0.27 -0.75 4.35 3.88 3m34A1 LEU 13 HB2 0.05 0.14 0.20 -0.04 1.64 2.00 3m34A1 LEU 13 HB3 0.01 -0.07 0.01 -0.04 1.64 1.55 3m34A1 LEU 13 HG 0.13 0.11 0.02 -0.04 1.64 1.86 3m34A1 LEU 13 HD13 0.19 -0.01 -0.07 -0.04 0.93 1.00 3m34A1 LEU 13 HD23 -0.11 0.00 -0.12 -0.04 0.89 0.63 3m34A1 ARG 14 H -0.18 0.60 -0.06 -0.55 8.46 8.26 3m34A1 ARG 14 HA -0.19 -0.03 0.34 -0.75 4.34 3.70 3m34A1 ARG 14 HB2 -0.91 0.12 0.17 -0.04 1.90 1.24 3m34A1 ARG 14 HB3 -0.59 -0.07 -0.03 -0.04 1.80 1.07 3m34A1 ARG 14 HG2 -0.19 -0.08 0.11 -0.04 1.67 1.47 3m34A1 ARG 14 HG3 -0.21 0.25 0.07 -0.04 1.67 1.74 3m34A1 ARG 14 HD2 -0.33 -0.05 -0.02 -0.04 3.22 2.78 3m34A1 ARG 14 HD3 -0.35 0.00 0.03 -0.04 3.22 2.86 3m34A1 PHE 15 H -0.35 0.70 -0.13 -0.55 8.34 8.02 3m34A1 PHE 15 HA -0.15 -0.01 0.41 -0.75 4.62 4.11 3m34A1 PHE 15 HB2 -0.24 0.12 0.10 -0.04 3.15 3.09 3m34A1 PHE 15 HB3 -0.16 -0.08 0.06 -0.04 3.06 2.84 3m34A1 PHE 15 HD2 -0.84 -0.02 -0.09 -0.04 7.28 6.29 3m34A1 PHE 15 HE2 -0.42 -0.03 -0.11 -0.04 7.38 6.79 3m34A1 PHE 15 HZ -0.16 0.17 -0.22 -0.04 7.32 7.07 3m34A1 LEU 16 H -0.01 0.70 -0.05 -0.55 8.37 8.46 3m34A1 LEU 16 HA -0.17 -0.07 0.57 -0.75 4.35 3.93 3m34A1 LEU 16 HB2 -0.02 0.08 0.10 -0.04 1.64 1.77 3m34A1 LEU 16 HB3 -0.01 -0.02 -0.05 -0.04 1.64 1.52 3m34A1 LEU 16 HG 0.08 0.16 0.02 -0.04 1.64 1.86 3m34A1 LEU 16 HD13 0.09 -0.02 -0.10 -0.04 0.93 0.86 3m34A1 LEU 16 HD23 0.11 -0.04 -0.09 -0.04 0.89 0.82 3m34A1 SER 17 H -0.10 0.56 -0.23 -0.55 8.46 8.14 3m34A1 SER 17 HA -0.18 0.05 0.28 -0.75 4.49 3.88 3m34A1 SER 17 HB2 -0.11 0.10 0.12 -0.04 3.95 4.02 3m34A1 SER 17 HB3 -0.11 -0.12 -0.03 -0.04 3.93 3.62 3m34A1 ALA 18 H -0.08 0.59 -0.06 -0.55 8.40 8.29 3m34A1 ALA 18 HA -0.04 -0.04 0.35 -0.75 4.34 3.85 3m34A1 ALA 18 HB3 0.02 -0.02 0.07 -0.04 1.41 1.43 3m34A1 ASP 19 H -0.16 0.53 -0.31 -0.55 8.40 7.91 3m34A1 ASP 19 HA -0.15 -0.07 0.23 -0.75 4.63 3.88 3m34A1 ASP 19 HB2 -0.66 0.27 0.26 -0.04 2.71 2.54 3m34A1 ASP 19 HB3 -1.14 -0.08 0.16 -0.04 2.70 1.59 3m34A1 VAL 21 HA 0.32 0.13 0.29 -0.75 4.13 4.12 3m34A1 VAL 21 HB 0.01 0.05 -0.01 -0.04 2.12 2.14 3m34A1 VAL 21 HG13 0.06 -0.03 -0.56 -0.04 0.97 0.39 3m34A1 VAL 21 HG23 0.06 0.02 -0.13 -0.04 0.95 0.86 3m34A1 GLN 22 H 0.02 0.56 -0.95 -0.55 8.47 7.55 3m34A1 GLN 22 HA 0.04 -0.09 0.36 -0.75 4.36 3.91 3m34A1 GLN 22 HB2 0.00 0.10 0.06 -0.04 2.15 2.27 3m34A1 GLN 22 HB3 0.01 0.11 0.10 -0.04 2.02 2.20 3m34A1 GLN 22 HG2 0.01 -0.04 -0.09 -0.04 2.40 2.23 3m34A1 GLN 22 HG3 0.03 0.06 -0.06 -0.04 2.39 2.38 3m34A1 GLN 22 HE21 0.01 -0.04 0.01 -0.04 6.97 6.91 3m34A1 GLN 22 HE22 0.02 0.10 0.03 -0.04 7.69 7.80 3m34A1 LYS 23 H 0.12 0.56 0.29 -0.55 8.42 8.83 3m34A1 LYS 23 HA 0.10 -0.03 0.35 -0.75 4.32 3.99 3m34A1 LYS 23 HB2 0.29 0.00 0.16 -0.04 1.87 2.28 3m34A1 LYS 23 HB3 0.26 0.06 0.08 -0.04 1.79 2.16 3m34A1 LYS 23 HG2 0.10 0.09 -0.10 -0.04 1.46 1.51 3m34A1 LYS 23 HG3 0.11 -0.10 0.08 -0.04 1.46 1.51 3m34A1 LYS 23 HD2 0.21 -0.10 0.04 -0.04 1.69 1.80 3m34A1 LYS 23 HD3 0.06 0.12 0.09 -0.04 1.68 1.92 3m34A1 LYS 23 HE2 0.03 -0.08 0.02 -0.04 2.99 2.92 3m34A1 LYS 23 HE3 -0.07 -0.09 0.02 -0.04 2.99 2.81 3m34A1 ALA 24 H 0.19 0.11 -0.21 -0.55 8.40 7.94 3m34A1 ALA 24 HA 0.07 0.10 0.59 -0.75 4.34 4.35 3m34A1 ALA 24 HB3 0.15 0.06 0.02 -0.04 1.41 1.59 3m34A1 ASN 25 H 0.07 0.26 -0.53 -0.55 8.53 7.80 3m34A1 ASN 25 HA 0.03 -0.06 0.33 -0.75 4.76 4.30 3m34A1 ASN 25 HB2 0.03 0.03 -0.10 -0.04 2.88 2.80 3m34A1 ASN 25 HB3 0.01 0.10 0.20 -0.04 2.79 3.06 3m34A1 ASN 25 HD21 0.01 -0.09 0.07 -0.04 7.03 6.97 3m34A1 ASN 25 HD22 0.01 0.02 0.08 -0.04 7.74 7.81 3m34A1 SER 26 H 0.07 0.45 -0.18 -0.55 8.46 8.25 3m34A1 SER 26 HA -0.02 0.00 0.60 -0.75 4.49 4.32 3m34A1 SER 26 HB2 -0.02 0.16 -0.23 -0.04 3.95 3.82 3m34A1 SER 26 HB3 -0.04 0.03 -0.15 -0.04 3.93 3.73 3m34A1 GLY 27 H -0.10 0.22 0.11 -0.55 8.43 8.11 3m34A1 GLY 27 HA2 0.02 0.02 0.25 -0.51 4.01 3.79 3m34A1 GLY 27 HA3 0.24 0.23 0.89 -0.51 4.01 4.86 3m34A1 HIS 28 H 0.26 0.25 0.12 -0.55 8.41 8.50 3m34A1 HIS 28 HA -0.06 0.23 0.79 -0.75 4.63 4.84 3m34A1 HIS 28 HB2 0.03 0.26 0.29 -0.04 3.26 3.81 3m34A1 HIS 28 HB3 -0.03 -0.07 0.14 -0.04 3.20 3.19 3m34A1 HIS 28 HD2 -0.79 -0.01 -0.06 -0.04 6.97 6.06 3m34A1 HIS 28 HE1 0.06 0.03 0.01 -0.04 7.75 7.81 3m34A1 PRO 29 HA -0.00 0.17 0.68 -0.51 4.44 4.77 3m34A1 PRO 29 HB2 -0.01 -0.06 -0.03 -0.04 2.28 2.14 3m34A1 PRO 29 HB3 -0.01 0.07 -0.03 -0.04 2.02 2.01 3m34A1 PRO 29 HG2 -0.00 0.04 0.04 -0.04 2.03 2.07 3m34A1 PRO 29 HG3 -0.01 -0.02 -0.05 -0.04 2.03 1.91 3m34A1 PRO 29 HD2 -0.03 0.15 -0.03 -0.04 3.68 3.73 3m34A1 PRO 29 HD3 -0.02 0.23 -0.31 -0.04 3.65 3.50 3m34A1 GLY 30 H 0.03 0.50 0.07 -0.55 8.43 8.48 3m34A1 GLY 30 HA2 0.02 -0.02 0.34 -0.51 4.01 3.84 3m34A1 GLY 30 HA3 0.06 0.06 0.16 -0.51 4.01 3.77 3m34A1 ALA 31 H 0.08 0.24 -0.10 -0.55 8.40 8.08 3m34A1 ALA 31 HA 0.04 -0.02 0.46 -0.75 4.34 4.06 3m34A1 ALA 31 HB3 0.03 0.03 0.02 -0.04 1.41 1.44 3m34A1 PRO 32 HA -0.01 0.03 0.42 -0.51 4.44 4.37 3m34A1 PRO 32 HB2 -0.05 0.16 0.04 -0.04 2.28 2.39 3m34A1 PRO 32 HB3 -0.05 0.03 0.02 -0.04 2.02 1.98 3m34A1 PRO 32 HG2 -0.03 0.30 0.17 -0.04 2.03 2.43 3m34A1 PRO 32 HG3 -0.04 -0.09 0.11 -0.04 2.03 1.97 3m34A1 PRO 32 HD2 0.02 -0.00 -0.51 -0.04 3.68 3.14 3m34A1 PRO 32 HD3 -0.00 0.00 0.01 -0.04 3.65 3.62 3m34A1 LEU 33 H -0.03 0.45 -0.27 -0.55 8.37 7.98 3m34A1 LEU 33 HA -0.08 0.09 0.47 -0.75 4.35 4.07 3m34A1 LEU 33 HB2 -0.03 0.03 0.19 -0.04 1.64 1.79 3m34A1 LEU 33 HB3 -0.06 0.05 -0.09 -0.04 1.64 1.49 3m34A1 LEU 33 HG -0.17 0.01 0.02 -0.04 1.64 1.47 3m34A1 LEU 33 HD13 -0.09 0.06 0.01 -0.04 0.93 0.86 3m34A1 LEU 33 HD23 -0.05 0.00 -0.18 -0.04 0.89 0.61 3m34A1 GLY 34 H 0.01 0.46 -0.00 -0.55 8.43 8.35 3m34A1 GLY 34 HA2 0.15 0.07 0.54 -0.51 4.01 4.25 3m34A1 GLY 34 HA3 0.04 -0.06 0.28 -0.51 4.01 3.77 3m34A1 LEU 35 H -0.02 0.48 -0.35 -0.55 8.37 7.94 3m34A1 LEU 35 HA -0.08 0.08 0.69 -0.75 4.35 4.28 3m34A1 LEU 35 HB2 -0.05 0.16 0.04 -0.04 1.64 1.74 3m34A1 LEU 35 HB3 -0.12 -0.05 0.04 -0.04 1.64 1.46 3m34A1 LEU 35 HG -0.08 -0.05 -0.11 -0.04 1.64 1.36 3m34A1 LEU 35 HD13 -0.15 -0.02 -0.12 -0.04 0.93 0.60 3m34A1 LEU 35 HD23 -0.16 -0.01 -0.03 -0.04 0.89 0.66 3m34A1 ALA 36 H 0.00 0.32 -0.30 -0.55 8.40 7.88 3m34A1 ALA 36 HA 0.01 0.04 0.15 -0.75 4.34 3.78 3m34A1 ALA 36 HB3 -0.02 0.09 0.15 -0.04 1.41 1.59 3m34A1 ASP 37 H 0.07 0.18 -0.18 -0.55 8.40 7.92 3m34A1 ASP 37 HA 0.26 0.08 0.48 -0.75 4.63 4.69 3m34A1 ASP 37 HB2 -0.01 0.27 0.14 -0.04 2.71 3.07 3m34A1 ASP 37 HB3 -0.16 -0.09 -0.07 -0.04 2.70 2.35 3m34A1 ILE 38 H -0.04 0.18 -0.18 -0.55 8.25 7.66 3m34A1 ILE 38 HA -0.03 -0.00 0.34 -0.75 4.18 3.73 3m34A1 ILE 38 HB -0.11 0.10 0.11 -0.04 1.89 1.95 3m34A1 ILE 38 HG12 -0.12 -0.04 -0.03 -0.04 1.49 1.26 3m34A1 ILE 38 HG13 -0.14 0.12 0.06 -0.04 1.21 1.20 3m34A1 ILE 38 HG23 -0.13 0.00 -0.21 -0.04 0.93 0.55 3m34A1 ILE 38 HD13 -0.17 -0.02 -0.03 -0.04 0.88 0.62 3m34A1 LEU 39 H -0.04 0.56 -0.15 -0.55 8.37 8.19 3m34A1 LEU 39 HA -0.15 0.03 0.32 -0.75 4.35 3.80 3m34A1 LEU 39 HB2 -0.12 -0.04 -0.01 -0.04 1.64 1.44 3m34A1 LEU 39 HB3 -0.03 0.06 -0.00 -0.04 1.64 1.63 3m34A1 LEU 39 HG -0.34 0.03 -0.19 -0.04 1.64 1.10 3m34A1 LEU 39 HD13 -0.52 -0.01 -0.08 -0.04 0.93 0.28 3m34A1 LEU 39 HD23 -0.01 -0.01 -0.13 -0.04 0.89 0.70 3m34A1 SER 40 H 0.11 0.46 -0.22 -0.55 8.46 8.27 3m34A1 SER 40 HA 0.29 0.05 0.39 -0.75 4.49 4.46 3m34A1 SER 40 HB2 0.21 0.05 0.18 -0.04 3.95 4.34 3m34A1 SER 40 HB3 0.14 -0.07 0.04 -0.04 3.93 4.00 3m34A1 VAL 41 H 0.15 0.46 -0.14 -0.55 8.24 8.16 3m34A1 VAL 41 HA 0.20 0.03 0.41 -0.75 4.13 4.02 3m34A1 VAL 41 HB 0.08 0.06 0.04 -0.04 2.12 2.25 3m34A1 VAL 41 HG13 0.12 -0.02 -0.18 -0.04 0.97 0.85 3m34A1 VAL 41 HG23 0.20 0.02 0.01 -0.04 0.95 1.14 3m34A1 LEU 42 H 0.03 0.62 -0.10 -0.55 8.37 8.36 3m34A1 LEU 42 HA 0.02 -0.01 0.33 -0.75 4.35 3.94 3m34A1 LEU 42 HB2 -0.16 -0.03 0.03 -0.04 1.64 1.43 3m34A1 LEU 42 HB3 -0.18 0.06 0.08 -0.04 1.64 1.55 3m34A1 LEU 42 HG -0.34 0.03 -0.17 -0.04 1.64 1.11 3m34A1 LEU 42 HD13 -0.81 -0.01 -0.05 -0.04 0.93 0.02 3m34A1 LEU 42 HD23 -0.31 -0.02 -0.14 -0.04 0.89 0.38 3m34A1 SER 43 H 0.08 0.51 -0.36 -0.55 8.46 8.15 3m34A1 SER 43 HA 0.13 0.01 0.35 -0.75 4.49 4.23 3m34A1 SER 43 HB2 0.45 -0.00 0.07 -0.04 3.95 4.43 3m34A1 SER 43 HB3 0.33 0.01 0.08 -0.04 3.93 4.31 3m34A1 TYR 44 H 0.33 0.39 -0.33 -0.55 8.29 8.13 3m34A1 TYR 44 HA 0.01 0.10 0.63 -0.75 4.56 4.55 3m34A1 TYR 44 HB2 -0.06 0.15 0.09 -0.04 3.06 3.20 3m34A1 TYR 44 HB3 -0.17 -0.06 0.03 -0.04 2.98 2.73 3m34A1 TYR 44 HD2 -0.03 0.11 0.07 -0.04 7.15 7.27 3m34A1 TYR 44 HE2 -0.10 -0.05 -0.05 -0.04 6.85 6.61 3m34A1 HIS 45 H 0.22 0.33 -0.22 -0.55 8.41 8.19 3m34A1 HIS 45 HA 0.11 0.15 0.80 -0.75 4.63 4.94 3m34A1 HIS 45 HB2 -0.07 0.04 0.06 -0.04 3.26 3.26 3m34A1 HIS 45 HB3 0.08 -0.02 -0.05 -0.04 3.20 3.17 3m34A1 HIS 45 HD2 0.06 0.22 -0.14 -0.04 6.97 7.05 3m34A1 HIS 45 HE1 0.04 -0.03 -0.09 -0.04 7.75 7.62 3m34A1 LEU 46 H 0.09 0.35 -0.01 -0.55 8.37 8.25 3m34A1 LEU 46 HA 0.12 -0.04 0.39 -0.75 4.35 4.07 3m34A1 LEU 46 HB2 -0.09 0.01 0.00 -0.04 1.64 1.53 3m34A1 LEU 46 HB3 0.06 0.05 0.01 -0.04 1.64 1.72 3m34A1 LEU 46 HG -0.11 0.07 -0.29 -0.04 1.64 1.28 3m34A1 LEU 46 HD13 -0.01 -0.02 -0.18 -0.04 0.93 0.68 3m34A1 LEU 46 HD23 -0.32 -0.01 -0.15 -0.04 0.89 0.36 3m34A1 LYS 47 H 0.21 0.11 0.20 -0.55 8.42 8.38 3m34A1 LYS 47 HA 0.29 0.14 0.81 -0.75 4.32 4.81 3m34A1 LYS 47 HB2 0.20 0.09 0.07 -0.04 1.87 2.19 3m34A1 LYS 47 HB3 0.14 -0.08 0.25 -0.04 1.79 2.07 3m34A1 LYS 47 HG2 0.44 -0.02 -0.20 -0.04 1.46 1.64 3m34A1 LYS 47 HG3 0.31 -0.01 -0.00 -0.04 1.46 1.71 3m34A1 LYS 47 HD2 0.32 -0.03 -0.05 -0.04 1.69 1.88 3m34A1 LYS 47 HD3 0.17 0.01 -0.00 -0.04 1.68 1.82 3m34A1 LYS 47 HE2 -0.08 -0.12 0.06 -0.04 2.99 2.81 3m34A1 LYS 47 HE3 -0.43 -0.03 -0.08 -0.04 2.99 2.41 3m34A1 HIS 48 H 0.35 0.36 0.17 -0.55 8.41 8.74 3m34A1 HIS 48 HA 0.31 0.09 0.63 -0.75 4.63 4.91 3m34A1 HIS 48 HB2 0.21 0.04 -0.03 -0.04 3.26 3.44 3m34A1 HIS 48 HB3 0.16 0.13 -0.36 -0.04 3.20 3.08 3m34A1 HIS 48 HD2 0.17 0.07 -0.37 -0.04 6.97 6.80 3m34A1 HIS 48 HE1 0.14 -0.01 -0.08 -0.04 7.75 7.75 3m34A1 ASN 49 H 0.31 0.28 0.07 -0.55 8.53 8.64 3m34A1 ASN 49 HA -0.20 0.24 0.85 -0.75 4.76 4.90 3m34A1 ASN 49 HB2 -0.24 0.11 -0.04 -0.04 2.88 2.67 3m34A1 ASN 49 HB3 -0.02 0.10 0.17 -0.04 2.79 3.00 3m34A1 ASN 49 HD21 -0.18 -0.01 -0.09 -0.04 7.03 6.71 3m34A1 ASN 49 HD22 -0.30 0.04 -0.04 -0.04 7.74 7.41 3m34A1 PRO 50 HA -1.47 0.07 0.22 -0.51 4.44 2.74 3m34A1 PRO 50 HB2 -0.43 0.07 -0.24 -0.04 2.28 1.64 3m34A1 PRO 50 HB3 -0.96 -0.04 -0.42 -0.04 2.02 0.56 3m34A1 PRO 50 HG2 -0.34 0.16 -0.15 -0.04 2.03 1.65 3m34A1 PRO 50 HG3 -0.49 0.01 -0.16 -0.04 2.03 1.35 3m34A1 PRO 50 HD2 -0.33 0.12 0.08 -0.04 3.68 3.51 3m34A1 PRO 50 HD3 -0.58 0.25 -0.22 -0.04 3.65 3.06 3m34A1 LYS 51 H -0.24 0.07 -0.31 -0.55 8.42 7.39 3m34A1 LYS 51 HA -0.14 0.20 0.83 -0.75 4.32 4.46 3m34A1 LYS 51 HB2 -0.12 -0.02 -0.00 -0.04 1.87 1.68 3m34A1 LYS 51 HB3 -0.09 -0.01 0.13 -0.04 1.79 1.77 3m34A1 LYS 51 HG2 -0.17 -0.03 0.00 -0.04 1.46 1.22 3m34A1 LYS 51 HG3 -0.11 -0.04 0.02 -0.04 1.46 1.29 3m34A1 LYS 51 HD2 -0.08 -0.05 0.03 -0.04 1.69 1.55 3m34A1 LYS 51 HD3 -0.14 0.16 -0.15 -0.04 1.68 1.50 3m34A1 LYS 51 HE2 -0.12 0.08 0.02 -0.04 2.99 2.93 3m34A1 LYS 51 HE3 -0.09 -0.09 0.01 -0.04 2.99 2.78 3m34A1 ASN 52 H -0.11 0.42 -0.41 -0.55 8.53 7.88 3m34A1 ASN 52 HA -0.01 0.19 0.65 -0.75 4.76 4.84 3m34A1 ASN 52 HB2 -0.04 0.06 -0.03 -0.04 2.88 2.83 3m34A1 ASN 52 HB3 -0.05 -0.04 0.15 -0.04 2.79 2.81 3m34A1 ASN 52 HD21 0.08 0.07 -0.11 -0.04 7.03 7.03 3m34A1 ASN 52 HD22 -0.01 -0.01 0.01 -0.04 7.74 7.69 3m34A1 PRO 53 HA 0.16 0.11 0.44 -0.51 4.44 4.63 3m34A1 PRO 53 HB2 0.11 0.06 -0.01 -0.04 2.28 2.39 3m34A1 PRO 53 HB3 0.24 -0.01 0.11 -0.04 2.02 2.31 3m34A1 PRO 53 HG2 0.16 -0.04 -0.01 -0.04 2.03 2.11 3m34A1 PRO 53 HG3 0.24 0.10 -0.02 -0.04 2.03 2.30 3m34A1 PRO 53 HD2 0.05 0.09 0.02 -0.04 3.68 3.80 3m34A1 PRO 53 HD3 -0.01 0.16 -0.37 -0.04 3.65 3.39 3m34A1 THR 54 H 0.06 -0.03 -0.56 -0.55 8.28 7.20 3m34A1 THR 54 HA -0.00 0.31 0.78 -0.75 4.39 4.72 3m34A1 THR 54 HB 0.02 0.10 0.13 -0.04 4.32 4.52 3m34A1 THR 54 HG23 0.04 0.00 -0.06 -0.04 1.22 1.16 3m34A1 TRP 55 H 0.17 0.38 -0.10 -0.55 7.97 7.87 3m34A1 TRP 55 HA -0.21 -0.05 0.43 -0.75 4.62 4.03 3m34A1 TRP 55 HB2 -0.14 0.01 0.17 -0.04 3.23 3.23 3m34A1 TRP 55 HB3 -0.17 0.03 0.17 -0.04 3.23 3.22 3m34A1 TRP 55 HD1 -0.71 -0.00 0.06 -0.04 7.22 6.53 3m34A1 TRP 55 HE1 -1.52 0.06 -0.03 -0.04 10.20 8.67 3m34A1 TRP 55 HE3 -0.10 -0.10 -0.04 -0.04 7.59 7.30 3m34A1 TRP 55 HZ2 -0.10 0.06 -0.19 -0.04 7.44 7.17 3m34A1 TRP 55 HZ3 -0.02 -0.07 -0.34 -0.04 7.13 6.66 3m34A1 TRP 55 HH2 -0.01 -0.01 -0.22 -0.04 7.19 6.91 3m34A1 LEU 56 H -0.25 0.04 0.22 -0.55 8.37 7.83 3m34A1 LEU 56 HA -0.42 0.26 0.17 -0.75 4.35 3.61 3m34A1 LEU 56 HB2 -0.10 0.03 0.15 -0.04 1.64 1.68 3m34A1 LEU 56 HB3 -0.35 -0.09 0.09 -0.04 1.64 1.24 3m34A1 LEU 56 HG -0.11 -0.00 -0.10 -0.04 1.64 1.39 3m34A1 LEU 56 HD13 -0.16 0.04 -0.02 -0.04 0.93 0.74 3m34A1 LEU 56 HD23 0.18 -0.02 -0.06 -0.04 0.89 0.95 3m34A1 ASN 57 H -1.88 -0.06 -0.24 -0.55 8.53 5.81 3m34A1 ASN 57 HA -0.60 0.23 0.82 -0.75 4.76 4.46 3m34A1 ASN 57 HB2 -0.71 0.13 0.07 -0.04 2.88 2.32 3m34A1 ASN 57 HB3 -1.30 -0.09 0.03 -0.04 2.79 1.38 3m34A1 ASN 57 HD21 0.13 -0.07 -0.12 -0.04 7.03 6.93 3m34A1 ASN 57 HD22 0.12 -0.03 -0.06 -0.04 7.74 7.74 3m34A1 ARG 58 H -1.28 0.44 -0.36 -0.55 8.46 6.70 3m34A1 ARG 58 HA -1.02 -0.04 0.56 -0.75 4.34 3.09 3m34A1 ARG 58 HB2 -0.12 -0.02 0.19 -0.04 1.90 1.91 3m34A1 ARG 58 HB3 -0.33 -0.13 0.10 -0.04 1.80 1.40 3m34A1 ARG 58 HG2 -0.54 0.13 -0.06 -0.04 1.67 1.16 3m34A1 ARG 58 HG3 -0.35 0.08 -0.40 -0.04 1.67 0.96 3m34A1 ARG 58 HD2 -0.01 -0.15 0.00 -0.04 3.22 3.03 3m34A1 ARG 58 HD3 -0.08 -0.06 -0.09 -0.04 3.22 2.95 3m34A1 ASP 59 H -0.13 0.44 0.35 -0.55 8.40 8.51 3m34A1 ASP 59 HA -0.02 0.19 0.78 -0.75 4.63 4.83 3m34A1 ASP 59 HB2 0.12 -0.03 0.13 -0.04 2.71 2.89 3m34A1 ASP 59 HB3 0.24 -0.03 -0.05 -0.04 2.70 2.82 3m34A1 ARG 60 H 0.00 0.52 0.30 -0.55 8.46 8.73 3m34A1 ARG 60 HA -0.18 0.18 0.78 -0.75 4.34 4.36 3m34A1 ARG 60 HB2 -0.14 -0.13 0.14 -0.04 1.90 1.74 3m34A1 ARG 60 HB3 -0.55 -0.03 -0.06 -0.04 1.80 1.11 3m34A1 ARG 60 HG2 -0.31 0.10 -0.04 -0.04 1.67 1.38 3m34A1 ARG 60 HG3 -0.42 -0.03 -0.05 -0.04 1.67 1.13 3m34A1 ARG 60 HD2 -0.58 -0.07 -0.05 -0.04 3.22 2.47 3m34A1 ARG 60 HD3 -0.46 0.07 -0.28 -0.04 3.22 2.51 3m34A1 LEU 61 H -0.02 0.28 0.10 -0.55 8.37 8.19 3m34A1 LEU 61 HA 0.15 0.21 0.88 -0.75 4.35 4.83 3m34A1 LEU 61 HB2 0.06 0.02 -0.10 -0.04 1.64 1.57 3m34A1 LEU 61 HB3 0.07 0.06 0.08 -0.04 1.64 1.81 3m34A1 LEU 61 HG 0.26 -0.09 -0.40 -0.04 1.64 1.38 3m34A1 LEU 61 HD13 -0.02 0.01 -0.14 -0.04 0.93 0.74 3m34A1 LEU 61 HD23 0.11 0.00 -0.13 -0.04 0.89 0.83 3m34A1 VAL 62 H 0.16 0.73 0.33 -0.55 8.24 8.91 3m34A1 VAL 62 HA 0.20 0.16 0.86 -0.75 4.13 4.60 3m34A1 VAL 62 HB 0.20 -0.05 0.09 -0.04 2.12 2.32 3m34A1 VAL 62 HG13 0.19 -0.01 -0.29 -0.04 0.97 0.82 3m34A1 VAL 62 HG23 0.30 0.05 -0.31 -0.04 0.95 0.95 3m34A1 PHE 63 H 0.34 0.30 -0.00 -0.55 8.34 8.42 3m34A1 PHE 63 HA -0.01 0.08 0.80 -0.75 4.62 4.73 3m34A1 PHE 63 HB2 -0.03 0.09 0.07 -0.04 3.15 3.23 3m34A1 PHE 63 HB3 -0.07 -0.03 -0.17 -0.04 3.06 2.75 3m34A1 PHE 63 HD2 -0.09 -0.03 -0.24 -0.04 7.28 6.89 3m34A1 PHE 63 HE2 -0.12 0.03 -0.13 -0.04 7.38 7.12 3m34A1 PHE 63 HZ -0.15 0.04 -0.19 -0.04 7.32 6.98 3m34A1 SER 64 H 0.05 0.66 0.07 -0.55 8.46 8.70 3m34A1 SER 64 HA 0.10 0.09 0.39 -0.75 4.49 4.33 3m34A1 SER 64 HB2 0.08 0.16 -0.14 -0.04 3.95 4.01 3m34A1 SER 64 HB3 0.05 -0.03 0.10 -0.04 3.93 4.01 3m34A1 GLY 65 H 0.02 0.29 -0.22 -0.55 8.43 7.97 3m34A1 GLY 65 HA2 0.14 0.06 0.65 -0.51 4.01 4.36 3m34A1 GLY 65 HA3 -0.05 -0.03 0.30 -0.51 4.01 3.73 3m34A1 GLY 66 H 0.14 0.32 -0.05 -0.55 8.43 8.30 3m34A1 GLY 66 HA2 0.06 0.16 0.18 -0.51 4.01 3.91 3m34A1 GLY 66 HA3 0.17 0.13 0.07 -0.51 4.01 3.87 3m34A1 HIS 67 H 0.16 -0.04 -0.34 -0.55 8.41 7.65 3m34A1 HIS 67 HA -0.48 0.28 0.57 -0.75 4.63 4.24 3m34A1 HIS 67 HB2 -1.48 0.07 0.14 -0.04 3.26 1.95 3m34A1 HIS 67 HB3 -0.26 0.03 0.11 -0.04 3.20 3.03 3m34A1 HIS 67 HD2 -0.17 0.08 -0.08 -0.04 6.97 6.76 3m34A1 HIS 67 HE1 0.07 -0.15 0.04 -0.04 7.75 7.66 3m34A1 ALA 68 H -0.42 0.43 -0.42 -0.55 8.40 7.44 3m34A1 ALA 68 HA -0.11 0.15 0.63 -0.75 4.34 4.26 3m34A1 ALA 68 HB3 -0.05 -0.01 0.04 -0.04 1.41 1.35 3m34A1 SER 69 H -0.16 0.41 -0.64 -0.55 8.46 7.52 3m34A1 SER 69 HA -0.50 -0.04 0.30 -0.75 4.49 3.49 3m34A1 SER 69 HB2 -0.57 0.02 -0.13 -0.04 3.95 3.22 3m34A1 SER 69 HB3 -0.20 0.11 0.08 -0.04 3.93 3.87 3m34A1 ALA 70 H -0.14 0.18 -0.21 -0.55 8.40 7.68 3m34A1 ALA 70 HA -0.36 0.10 0.32 -0.75 4.34 3.65 3m34A1 ALA 70 HB3 -0.50 0.03 0.12 -0.04 1.41 1.02 3m34A1 LEU 71 H -0.14 0.28 -0.24 -0.55 8.37 7.73 3m34A1 LEU 71 HA -0.05 0.07 0.37 -0.75 4.35 3.98 3m34A1 LEU 71 HB2 -0.00 -0.10 0.10 -0.04 1.64 1.60 3m34A1 LEU 71 HB3 0.13 0.14 0.11 -0.04 1.64 1.97 3m34A1 LEU 71 HG 0.16 0.03 -0.29 -0.04 1.64 1.49 3m34A1 LEU 71 HD13 0.01 0.01 -0.03 -0.04 0.93 0.87 3m34A1 LEU 71 HD23 0.07 -0.01 -0.11 -0.04 0.89 0.81 3m34A1 LEU 72 H -0.42 0.29 -0.10 -0.55 8.37 7.60 3m34A1 LEU 72 HA -0.40 0.01 0.40 -0.75 4.35 3.61 3m34A1 LEU 72 HB2 -1.69 -0.09 0.02 -0.04 1.64 -0.16 3m34A1 LEU 72 HB3 -0.77 0.16 0.09 -0.04 1.64 1.08 3m34A1 LEU 72 HG -0.27 0.06 -0.32 -0.04 1.64 1.07 3m34A1 LEU 72 HD13 -0.33 0.00 -0.06 -0.04 0.93 0.50 3m34A1 LEU 72 HD23 -0.42 -0.01 -0.05 -0.04 0.89 0.36 3m34A1 TYR 73 H -0.36 0.66 -0.19 -0.55 8.29 7.85 3m34A1 TYR 73 HA -0.08 0.06 0.30 -0.75 4.56 4.08 3m34A1 TYR 73 HB2 -0.10 0.08 0.05 -0.04 3.06 3.05 3m34A1 TYR 73 HB3 -0.03 -0.06 -0.06 -0.04 2.98 2.79 3m34A1 TYR 73 HD2 -0.01 -0.03 -0.15 -0.04 7.15 6.92 3m34A1 TYR 73 HE2 0.16 0.09 -0.20 -0.04 6.85 6.86 3m34A1 SER 74 H 0.00 0.52 -0.23 -0.55 8.46 8.21 3m34A1 SER 74 HA 0.05 -0.02 0.32 -0.75 4.49 4.09 3m34A1 SER 74 HB2 -0.01 0.09 0.20 -0.04 3.95 4.18 3m34A1 SER 74 HB3 -0.02 -0.09 -0.01 -0.04 3.93 3.78 3m34A1 PHE 75 H 0.10 0.60 -0.13 -0.55 8.34 8.36 3m34A1 PHE 75 HA -0.29 -0.03 0.43 -0.75 4.62 3.97 3m34A1 PHE 75 HB2 -0.07 -0.07 0.05 -0.04 3.15 3.01 3m34A1 PHE 75 HB3 -0.09 0.15 0.12 -0.04 3.06 3.20 3m34A1 PHE 75 HD2 -0.13 -0.01 -0.08 -0.04 7.28 7.02 3m34A1 PHE 75 HE2 0.08 0.03 -0.07 -0.04 7.38 7.37 3m34A1 PHE 75 HZ 0.00 0.06 -0.07 -0.04 7.32 7.27 3m34A1 LEU 76 H -0.03 0.64 -0.14 -0.55 8.37 8.29 3m34A1 LEU 76 HA -0.37 0.02 0.40 -0.75 4.35 3.64 3m34A1 LEU 76 HB2 -0.03 0.04 0.05 -0.04 1.64 1.66 3m34A1 LEU 76 HB3 -0.18 -0.01 -0.08 -0.04 1.64 1.33 3m34A1 LEU 76 HG -0.13 0.13 -0.03 -0.04 1.64 1.58 3m34A1 LEU 76 HD13 -0.09 0.03 -0.23 -0.04 0.93 0.60 3m34A1 LEU 76 HD23 -0.86 0.00 -0.06 -0.04 0.89 -0.07 3m34A1 HIS 77 H 0.06 0.63 -0.19 -0.55 8.41 8.37 3m34A1 HIS 77 HA -0.01 0.19 0.42 -0.75 4.63 4.48 3m34A1 HIS 77 HB2 -0.01 -0.02 -0.07 -0.04 3.26 3.12 3m34A1 HIS 77 HB3 -0.03 0.06 0.09 -0.04 3.20 3.28 3m34A1 HIS 77 HD2 -0.00 0.01 -0.16 -0.04 6.97 6.78 3m34A1 HIS 77 HE1 -0.00 -0.14 0.04 -0.04 7.75 7.61 3m34A1 LEU 78 H -0.12 0.63 -0.09 -0.55 8.37 8.24 3m34A1 LEU 78 HA -0.27 -0.03 0.31 -0.75 4.35 3.61 3m34A1 LEU 78 HB2 -0.53 0.09 0.09 -0.04 1.64 1.25 3m34A1 LEU 78 HB3 -0.32 -0.09 -0.01 -0.04 1.64 1.19 3m34A1 LEU 78 HG -0.02 0.10 0.02 -0.04 1.64 1.70 3m34A1 LEU 78 HD13 -0.37 -0.03 -0.18 -0.04 0.93 0.32 3m34A1 LEU 78 HD23 0.06 -0.03 -0.06 -0.04 0.89 0.82 3m34A1 SER 79 H -0.29 0.50 -0.36 -0.55 8.46 7.77 3m34A1 SER 79 HA -0.05 0.17 0.32 -0.75 4.49 4.18 3m34A1 SER 79 HB2 -0.13 0.05 0.05 -0.04 3.95 3.87 3m34A1 SER 79 HB3 -0.02 -0.08 0.05 -0.04 3.93 3.83 3m34A1 GLY 80 H -0.12 0.40 -0.31 -0.55 8.43 7.85 3m34A1 GLY 80 HA2 -0.13 -0.01 0.26 -0.51 4.01 3.63 3m34A1 GLY 80 HA3 -0.15 0.07 0.76 -0.51 4.01 4.18 3m34A1 TYR 81 H 0.17 0.38 0.07 -0.55 8.29 8.35 3m34A1 TYR 81 HA -0.04 0.22 0.56 -0.75 4.56 4.55 3m34A1 TYR 81 HB2 -0.05 0.06 -0.07 -0.04 3.06 2.96 3m34A1 TYR 81 HB3 -0.01 0.01 -0.08 -0.04 2.98 2.86 3m34A1 TYR 81 HD2 -0.07 0.05 -0.07 -0.04 7.15 7.01 3m34A1 TYR 81 HE2 0.08 0.00 -0.09 -0.04 6.85 6.80 3m34A1 ASP 82 H 0.14 0.19 0.05 -0.55 8.40 8.23 3m34A1 ASP 82 HA 0.04 0.06 0.38 -0.75 4.63 4.36 3m34A1 ASP 82 HB2 0.03 0.05 0.13 -0.04 2.71 2.88 3m34A1 ASP 82 HB3 0.06 0.01 0.24 -0.04 2.70 2.97 3m34A1 LEU 83 H 0.09 0.76 -0.02 -0.55 8.37 8.66 3m34A1 LEU 83 HA 0.02 0.03 0.64 -0.75 4.35 4.29 3m34A1 LEU 83 HB2 0.04 0.09 -0.34 -0.04 1.64 1.39 3m34A1 LEU 83 HB3 0.09 -0.00 -0.13 -0.04 1.64 1.56 3m34A1 LEU 83 HG -0.03 -0.04 -0.19 -0.04 1.64 1.34 3m34A1 LEU 83 HD13 -0.11 -0.01 -0.03 -0.04 0.93 0.74 3m34A1 LEU 83 HD23 -0.06 0.04 -0.09 -0.04 0.89 0.74 3m34A1 SER 84 H -0.00 0.06 0.09 -0.55 8.46 8.07 3m34A1 SER 84 HA 0.17 0.29 0.54 -0.75 4.49 4.74 3m34A1 SER 84 HB2 0.00 -0.03 0.14 -0.04 3.95 4.02 3m34A1 SER 84 HB3 0.02 0.14 0.03 -0.04 3.93 4.07 3m34A1 LEU 85 H -0.11 0.21 0.16 -0.55 8.37 8.08 3m34A1 LEU 85 HA -0.49 0.16 0.56 -0.75 4.35 3.83 3m34A1 LEU 85 HB2 -0.16 0.06 0.15 -0.04 1.64 1.65 3m34A1 LEU 85 HB3 -0.11 -0.04 0.09 -0.04 1.64 1.54 3m34A1 LEU 85 HG -0.15 -0.03 -0.06 -0.04 1.64 1.36 3m34A1 LEU 85 HD13 -0.00 0.01 0.02 -0.04 0.93 0.92 3m34A1 LEU 85 HD23 0.04 0.04 0.03 -0.04 0.89 0.97 3m34A1 GLU 86 H -0.10 0.09 -0.10 -0.55 8.60 7.94 3m34A1 GLU 86 HA -0.17 0.12 0.42 -0.75 4.29 3.91 3m34A1 GLU 86 HB2 -0.07 0.02 0.07 -0.04 2.09 2.06 3m34A1 GLU 86 HB3 -0.06 -0.04 0.02 -0.04 1.99 1.87 3m34A1 GLU 86 HG2 -0.06 0.03 -0.25 -0.04 2.34 2.03 3m34A1 GLU 86 HG3 -0.08 0.03 -0.01 -0.04 2.34 2.24 3m34A1 ASP 87 H -0.09 0.00 -0.40 -0.55 8.40 7.37 3m34A1 ASP 87 HA -0.06 0.05 0.40 -0.75 4.63 4.27 3m34A1 ASP 87 HB2 -0.07 0.21 0.06 -0.04 2.71 2.87 3m34A1 ASP 87 HB3 -0.09 0.05 -0.09 -0.04 2.70 2.53 3m34A1 LEU 88 H -0.13 0.39 -0.25 -0.55 8.37 7.83 3m34A1 LEU 88 HA 0.03 0.05 0.33 -0.75 4.35 4.00 3m34A1 LEU 88 HB2 -0.02 0.11 0.09 -0.04 1.64 1.78 3m34A1 LEU 88 HB3 0.15 -0.00 -0.02 -0.04 1.64 1.73 3m34A1 LEU 88 HG -0.20 0.15 -0.03 -0.04 1.64 1.52 3m34A1 LEU 88 HD13 -0.02 -0.01 -0.08 -0.04 0.93 0.77 3m34A1 LEU 88 HD23 0.02 0.01 -0.24 -0.04 0.89 0.64 3m34A1 LYS 89 H -0.21 0.31 -0.32 -0.55 8.42 7.65 3m34A1 LYS 89 HA -0.18 0.05 0.44 -0.75 4.32 3.88 3m34A1 LYS 89 HB2 -0.26 0.09 0.11 -0.04 1.87 1.77 3m34A1 LYS 89 HB3 -0.28 -0.04 0.09 -0.04 1.79 1.51 3m34A1 LYS 89 HG2 -1.87 -0.03 -0.01 -0.04 1.46 -0.49 3m34A1 LYS 89 HG3 -0.89 0.12 0.01 -0.04 1.46 0.66 3m34A1 LYS 89 HD2 -0.29 -0.05 -0.03 -0.04 1.69 1.28 3m34A1 LYS 89 HD3 -0.36 -0.02 -0.02 -0.04 1.68 1.24 3m34A1 LYS 89 HE2 -0.51 0.01 -0.06 -0.04 2.99 2.38 3m34A1 LYS 89 HE3 -0.33 -0.02 -0.12 -0.04 2.99 2.47 3m34A1 ASN 90 H -0.02 0.35 -0.60 -0.55 8.53 7.71 3m34A1 ASN 90 HA 0.03 0.18 0.75 -0.75 4.76 4.96 3m34A1 ASN 90 HB2 -0.02 0.02 0.09 -0.04 2.88 2.93 3m34A1 ASN 90 HB3 -0.00 -0.09 0.12 -0.04 2.79 2.77 3m34A1 ASN 90 HD21 -0.02 -0.06 -0.07 -0.04 7.03 6.84 3m34A1 ASN 90 HD22 -0.01 0.00 -0.02 -0.04 7.74 7.68 3m34A1 PHE 91 H 0.22 0.36 -0.36 -0.55 8.34 8.01 3m34A1 PHE 91 HA 0.02 0.11 0.52 -0.75 4.62 4.53 3m34A1 PHE 91 HB2 0.11 0.13 0.13 -0.04 3.15 3.47 3m34A1 PHE 91 HB3 0.09 -0.05 0.01 -0.04 3.06 3.07 3m34A1 PHE 91 HD2 0.15 0.02 -0.02 -0.04 7.28 7.38 3m34A1 PHE 91 HE2 0.11 0.01 -0.04 -0.04 7.38 7.42 3m34A1 PHE 91 HZ 0.02 -0.10 0.07 -0.04 7.32 7.26 3m34A1 ARG 92 H -0.23 0.65 0.24 -0.55 8.46 8.57 3m34A1 ARG 92 HA -0.26 -0.15 0.32 -0.75 4.34 3.49 3m34A1 ARG 92 HB2 -0.39 0.21 -0.30 -0.04 1.90 1.38 3m34A1 ARG 92 HB3 -0.23 -0.05 0.17 -0.04 1.80 1.64 3m34A1 ARG 92 HG2 -0.43 -0.16 0.06 -0.04 1.67 1.09 3m34A1 ARG 92 HG3 -1.57 0.06 -0.12 -0.04 1.67 -0.00 3m34A1 ARG 92 HD2 -0.53 0.23 -0.19 -0.04 3.22 2.70 3m34A1 ARG 92 HD3 -0.23 -0.06 -0.21 -0.04 3.22 2.68 3m34A1 GLN 93 H -0.05 0.45 -0.35 -0.55 8.47 7.97 3m34A1 GLN 93 HA -0.06 0.12 0.82 -0.75 4.36 4.48 3m34A1 GLN 93 HB2 -0.02 0.07 -0.01 -0.04 2.15 2.16 3m34A1 GLN 93 HB3 -0.03 -0.06 0.00 -0.04 2.02 1.89 3m34A1 GLN 93 HG2 0.01 0.22 -0.38 -0.04 2.40 2.21 3m34A1 GLN 93 HG3 0.00 -0.05 -0.06 -0.04 2.39 2.24 3m34A1 GLN 93 HE21 -0.02 0.00 -0.06 -0.04 6.97 6.85 3m34A1 GLN 93 HE22 -0.01 0.38 -0.17 -0.04 7.69 7.85 3m34A1 LEU 94 H -0.08 0.12 0.13 -0.55 8.37 8.00 3m34A1 LEU 94 HA -0.19 -0.01 0.32 -0.75 4.35 3.72 3m34A1 LEU 94 HB2 -0.17 0.01 0.16 -0.04 1.64 1.60 3m34A1 LEU 94 HB3 -0.18 -0.00 0.14 -0.04 1.64 1.56 3m34A1 LEU 94 HG -1.33 0.06 -0.14 -0.04 1.64 0.19 3m34A1 LEU 94 HD13 -0.29 -0.01 0.04 -0.04 0.93 0.64 3m34A1 LEU 94 HD23 -0.17 -0.00 -0.00 -0.04 0.89 0.67 3m34A1 HIS 95 H -0.14 0.12 0.21 -0.55 8.41 8.05 3m34A1 HIS 95 HA -0.00 0.04 0.33 -0.75 4.63 4.24 3m34A1 HIS 95 HB2 -0.01 0.16 -0.03 -0.04 3.26 3.35 3m34A1 HIS 95 HB3 -0.00 -0.01 0.16 -0.04 3.20 3.31 3m34A1 HIS 95 HD2 0.00 0.06 0.04 -0.04 6.97 7.02 3m34A1 HIS 95 HE1 0.00 -0.02 -0.03 -0.04 7.75 7.66 3m34A1 SER 96 H -0.00 0.49 -0.25 -0.55 8.46 8.16 3m34A1 SER 96 HA 0.01 0.09 0.51 -0.75 4.49 4.36 3m34A1 SER 96 HB2 -0.02 -0.09 0.06 -0.04 3.95 3.87 3m34A1 SER 96 HB3 -0.01 0.12 -0.00 -0.04 3.93 4.00 3m34A1 LYS 97 H -0.04 0.11 0.11 -0.55 8.42 8.04 3m34A1 LYS 97 HA -0.04 0.18 0.54 -0.75 4.32 4.25 3m34A1 LYS 97 HB2 -0.07 -0.10 0.09 -0.04 1.87 1.75 3m34A1 LYS 97 HB3 -0.08 0.05 0.17 -0.04 1.79 1.90 3m34A1 LYS 97 HG2 -0.01 0.10 0.02 -0.04 1.46 1.52 3m34A1 LYS 97 HG3 -0.02 -0.03 0.02 -0.04 1.46 1.39 3m34A1 LYS 97 HD2 -0.02 -0.15 0.06 -0.04 1.69 1.54 3m34A1 LYS 97 HD3 -0.01 0.12 0.11 -0.04 1.68 1.86 3m34A1 LYS 97 HE2 -0.00 0.06 0.03 -0.04 2.99 3.03 3m34A1 LYS 97 HE3 -0.01 -0.07 0.02 -0.04 2.99 2.89 3m34A1 THR 98 H -0.08 0.04 -0.57 -0.55 8.28 7.12 3m34A1 THR 98 HA -0.82 0.22 0.64 -0.75 4.39 3.67 3m34A1 THR 98 HB 0.13 -0.02 0.02 -0.04 4.32 4.42 3m34A1 THR 98 HG23 -0.46 -0.03 -0.39 -0.04 1.22 0.30 3m34A1 PRO 99 HA -0.03 0.01 0.33 -0.51 4.44 4.24 3m34A1 PRO 99 HB2 0.08 0.00 0.01 -0.04 2.28 2.33 3m34A1 PRO 99 HB3 0.04 0.03 0.04 -0.04 2.02 2.08 3m34A1 PRO 99 HG2 0.19 0.10 -0.03 -0.04 2.03 2.24 3m34A1 PRO 99 HG3 0.08 0.03 -0.02 -0.04 2.03 2.08 3m34A1 PRO 99 HD2 -0.06 0.26 -0.19 -0.04 3.68 3.64 3m34A1 PRO 99 HD3 -0.02 0.20 -0.36 -0.04 3.65 3.43 3m34A1 GLY 100 H -0.05 0.11 0.14 -0.55 8.43 8.07 3m34A1 GLY 100 HA2 -0.32 0.05 0.28 -0.51 4.01 3.50 3m34A1 GLY 100 HA3 -0.11 -0.02 0.33 -0.51 4.01 3.70 3m34A1 HIS 101 H 0.16 0.09 -0.17 -0.55 8.41 7.95 3m34A1 HIS 101 HA 0.04 0.25 0.68 -0.75 4.63 4.84 3m34A1 HIS 101 HB2 0.05 -0.04 0.02 -0.04 3.26 3.25 3m34A1 HIS 101 HB3 0.04 0.26 0.11 -0.04 3.20 3.57 3m34A1 HIS 101 HD2 0.04 -0.24 -0.30 -0.04 6.97 6.42 3m34A1 HIS 101 HE1 0.10 -0.01 -0.07 -0.04 7.75 7.72 3m34A1 PRO 102 HA 0.22 0.11 0.17 -0.51 4.44 4.44 3m34A1 PRO 102 HB2 0.06 0.02 0.03 -0.04 2.28 2.35 3m34A1 PRO 102 HB3 0.04 0.08 0.02 -0.04 2.02 2.12 3m34A1 PRO 102 HG2 -0.08 -0.04 0.07 -0.04 2.03 1.94 3m34A1 PRO 102 HG3 -0.23 0.04 0.05 -0.04 2.03 1.84 3m34A1 PRO 102 HD2 0.11 -0.00 0.18 -0.04 3.68 3.92 3m34A1 PRO 102 HD3 0.02 0.30 0.28 -0.04 3.65 4.21 3m34A1 GLU 103 H 0.15 0.25 0.21 -0.55 8.60 8.66 3m34A1 GLU 103 HA 0.09 0.15 0.83 -0.75 4.29 4.60 3m34A1 GLU 103 HB2 0.08 -0.02 0.06 -0.04 2.09 2.16 3m34A1 GLU 103 HB3 0.08 0.02 0.05 -0.04 1.99 2.09 3m34A1 GLU 103 HG2 0.09 0.06 -0.11 -0.04 2.34 2.33 3m34A1 GLU 103 HG3 0.11 0.13 -0.17 -0.04 2.34 2.37 3m34A1 ILE 104 H 0.08 0.21 0.06 -0.55 8.25 8.05 3m34A1 ILE 104 HA 0.08 0.20 0.19 -0.75 4.18 3.89 3m34A1 ILE 104 HB 0.08 0.13 0.02 -0.04 1.89 2.08 3m34A1 ILE 104 HG12 0.09 -0.07 -0.03 -0.04 1.49 1.44 3m34A1 ILE 104 HG13 0.08 -0.00 -0.23 -0.04 1.21 1.02 3m34A1 ILE 104 HG23 0.11 0.01 -0.27 -0.04 0.93 0.74 3m34A1 ILE 104 HD13 0.09 0.04 -0.10 -0.04 0.88 0.87 3m34A1 SER 105 H 0.06 -0.01 -0.34 -0.55 8.46 7.62 3m34A1 SER 105 HA 0.05 0.13 0.56 -0.75 4.49 4.47 3m34A1 SER 105 HB2 0.04 -0.02 0.03 -0.04 3.95 3.96 3m34A1 SER 105 HB3 0.05 0.05 0.06 -0.04 3.93 4.04 3m34A1 THR 106 H 0.05 0.35 -0.27 -0.55 8.28 7.86 3m34A1 THR 106 HA 0.01 0.04 0.78 -0.75 4.39 4.47 3m34A1 THR 106 HB 0.07 0.01 0.16 -0.04 4.32 4.51 3m34A1 THR 106 HG23 -0.05 -0.01 -0.08 -0.04 1.22 1.04 3m34A1 LEU 107 H 0.04 0.14 0.07 -0.55 8.37 8.07 3m34A1 LEU 107 HA 0.07 0.13 0.39 -0.75 4.35 4.18 3m34A1 LEU 107 HB2 0.10 -0.06 0.13 -0.04 1.64 1.77 3m34A1 LEU 107 HB3 0.14 0.01 0.02 -0.04 1.64 1.77 3m34A1 LEU 107 HG 0.05 0.05 0.10 -0.04 1.64 1.80 3m34A1 LEU 107 HD13 0.05 -0.01 0.07 -0.04 0.93 0.99 3m34A1 LEU 107 HD23 0.06 0.03 -0.01 -0.04 0.89 0.93 3m34A1 GLY 108 H 0.07 0.23 0.12 -0.55 8.43 8.31 3m34A1 GLY 108 HA2 -0.02 0.02 0.33 -0.51 4.01 3.83 3m34A1 GLY 108 HA3 -0.37 0.12 0.79 -0.51 4.01 4.04 3m34A1 VAL 109 H 0.01 0.58 -0.15 -0.55 8.24 8.13 3m34A1 VAL 109 HA -0.01 0.00 0.73 -0.75 4.13 4.10 3m34A1 VAL 109 HB 0.06 0.23 -0.01 -0.04 2.12 2.36 3m34A1 VAL 109 HG13 0.07 -0.08 -0.49 -0.04 0.97 0.42 3m34A1 VAL 109 HG23 0.08 -0.04 -0.12 -0.04 0.95 0.84 3m34A1 GLU 110 H 0.04 0.10 0.13 -0.55 8.60 8.32 3m34A1 GLU 110 HA 0.03 0.17 0.18 -0.75 4.29 3.91 3m34A1 GLU 110 HB2 0.06 -0.08 0.08 -0.04 2.09 2.11 3m34A1 GLU 110 HB3 -0.14 0.03 -0.06 -0.04 1.99 1.78 3m34A1 GLU 110 HG2 -0.03 0.03 0.08 -0.04 2.34 2.38 3m34A1 GLU 110 HG3 -0.14 -0.15 0.04 -0.04 2.34 2.04 3m34A1 ILE 111 H 0.13 0.12 -0.17 -0.55 8.25 7.78 3m34A1 ILE 111 HA 0.17 0.18 0.55 -0.75 4.18 4.33 3m34A1 ILE 111 HB 0.40 0.20 -0.48 -0.04 1.89 1.97 3m34A1 ILE 111 HG12 0.11 -0.00 -0.15 -0.04 1.49 1.41 3m34A1 ILE 111 HG13 0.13 0.02 0.03 -0.04 1.21 1.35 3m34A1 ILE 111 HG23 0.24 -0.05 -0.26 -0.04 0.93 0.82 3m34A1 ILE 111 HD13 -0.01 0.00 -0.21 -0.04 0.88 0.62 3m34A1 ALA 112 H 0.11 0.21 0.05 -0.55 8.40 8.22 3m34A1 ALA 112 HA 0.10 0.21 0.61 -0.75 4.34 4.50 3m34A1 ALA 112 HB3 0.09 -0.01 0.12 -0.04 1.41 1.56 3m34A1 THR 113 H 0.10 0.34 0.25 -0.55 8.28 8.42 3m34A1 THR 113 HA 0.08 0.16 0.81 -0.75 4.39 4.69 3m34A1 THR 113 HB 0.10 -0.20 0.15 -0.04 4.32 4.33 3m34A1 THR 113 HG23 0.12 0.03 -0.40 -0.04 1.22 0.92 3m34A1 GLY 114 H 0.08 0.13 -0.04 -0.55 8.43 8.06 3m34A1 GLY 114 HA2 0.11 -0.15 0.42 -0.51 4.01 3.88 3m34A1 GLY 114 HA3 -0.12 0.28 0.56 -0.51 4.01 4.22 3m34A1 PRO 115 HA -0.01 0.02 0.56 -0.51 4.44 4.51 3m34A1 PRO 115 HB2 0.03 -0.01 0.06 -0.04 2.28 2.31 3m34A1 PRO 115 HB3 0.01 0.04 0.08 -0.04 2.02 2.11 3m34A1 PRO 115 HG2 0.02 0.15 -0.01 -0.04 2.03 2.15 3m34A1 PRO 115 HG3 -0.02 0.07 -0.01 -0.04 2.03 2.03 3m34A1 PRO 115 HD2 0.02 0.08 -0.03 -0.04 3.68 3.72 3m34A1 PRO 115 HD3 -0.03 0.25 -0.16 -0.04 3.65 3.67 3m34A1 LEU 116 H 0.02 0.12 0.24 -0.55 8.37 8.21 3m34A1 LEU 116 HA 0.05 0.05 0.26 -0.75 4.35 3.96 3m34A1 LEU 116 HB2 0.02 0.06 0.10 -0.04 1.64 1.78 3m34A1 LEU 116 HB3 0.02 -0.04 -0.18 -0.04 1.64 1.39 3m34A1 LEU 116 HG 0.05 0.21 0.14 -0.04 1.64 2.00 3m34A1 LEU 116 HD13 -0.00 -0.02 0.02 -0.04 0.93 0.89 3m34A1 LEU 116 HD23 0.13 -0.04 0.01 -0.04 0.89 0.95 3m34A1 GLY 117 H 0.02 0.03 0.15 -0.55 8.43 8.08 3m34A1 GLY 117 HA2 -0.01 0.04 0.43 -0.51 4.01 3.97 3m34A1 GLY 117 HA3 -0.02 0.16 0.66 -0.51 4.01 4.30 3m34A1 GLN 118 H 0.01 0.50 -0.45 -0.55 8.47 7.99 3m34A1 GLN 118 HA -0.06 0.03 0.14 -0.75 4.36 3.73 3m34A1 GLN 118 HB2 0.04 0.02 0.07 -0.04 2.15 2.24 3m34A1 GLN 118 HB3 0.03 0.10 -0.05 -0.04 2.02 2.05 3m34A1 GLN 118 HG2 0.02 0.05 -0.09 -0.04 2.40 2.34 3m34A1 GLN 118 HG3 0.05 0.08 -0.02 -0.04 2.39 2.45 3m34A1 GLN 118 HE21 0.27 -0.06 -0.15 -0.04 6.97 6.99 3m34A1 GLN 118 HE22 0.07 0.02 -0.13 -0.04 7.69 7.61 3m34A1 GLY 119 H 0.05 0.08 -0.13 -0.55 8.43 7.89 3m34A1 GLY 119 HA2 0.09 0.23 0.23 -0.51 4.01 4.04 3m34A1 GLY 119 HA3 0.09 -0.02 0.17 -0.51 4.01 3.75 3m34A1 VAL 120 H 0.06 0.02 -0.36 -0.55 8.24 7.40 3m34A1 VAL 120 HA 0.16 0.09 0.34 -0.75 4.13 3.97 3m34A1 VAL 120 HB 0.04 0.10 0.04 -0.04 2.12 2.26 3m34A1 VAL 120 HG13 0.18 0.03 -0.16 -0.04 0.97 0.97 3m34A1 VAL 120 HG23 0.06 -0.04 -0.09 -0.04 0.95 0.83 3m34A1 ALA 121 H 0.01 0.34 -0.21 -0.55 8.40 7.98 3m34A1 ALA 121 HA -0.02 0.04 0.39 -0.75 4.34 4.00 3m34A1 ALA 121 HB3 -0.04 0.02 -0.00 -0.04 1.41 1.35 3m34A1 ASN 122 H -0.00 0.52 -0.18 -0.55 8.53 8.32 3m34A1 ASN 122 HA -0.15 0.21 0.32 -0.75 4.76 4.38 3m34A1 ASN 122 HB2 0.06 0.00 -0.02 -0.04 2.88 2.88 3m34A1 ASN 122 HB3 -0.15 0.05 -0.13 -0.04 2.79 2.52 3m34A1 ASN 122 HD21 0.02 -0.09 -0.05 -0.04 7.03 6.87 3m34A1 ASN 122 HD22 -0.06 0.33 -0.01 -0.04 7.74 7.96 3m34A1 ALA 123 H 0.06 0.49 -0.30 -0.55 8.40 8.11 3m34A1 ALA 123 HA 0.29 0.09 0.35 -0.75 4.34 4.32 3m34A1 ALA 123 HB3 0.29 -0.00 -0.02 -0.04 1.41 1.63 3m34A1 VAL 124 H -0.22 0.43 -0.18 -0.55 8.24 7.73 3m34A1 VAL 124 HA -0.65 0.01 0.34 -0.75 4.13 3.07 3m34A1 VAL 124 HB -0.13 0.07 0.11 -0.04 2.12 2.12 3m34A1 VAL 124 HG13 -0.11 0.03 -0.12 -0.04 0.97 0.73 3m34A1 VAL 124 HG23 -0.24 0.01 -0.15 -0.04 0.95 0.53 3m34A1 GLY 125 H -0.15 0.43 -0.23 -0.55 8.43 7.93 3m34A1 GLY 125 HA2 -0.11 -0.04 0.43 -0.51 4.01 3.78 3m34A1 GLY 125 HA3 -0.17 0.05 0.40 -0.51 4.01 3.78 3m34A1 PHE 126 H -0.14 0.48 -0.16 -0.55 8.34 7.97 3m34A1 PHE 126 HA -0.05 0.08 0.35 -0.75 4.62 4.24 3m34A1 PHE 126 HB2 0.02 -0.01 0.07 -0.04 3.15 3.19 3m34A1 PHE 126 HB3 0.13 -0.01 -0.06 -0.04 3.06 3.08 3m34A1 PHE 126 HD2 0.15 -0.05 -0.14 -0.04 7.28 7.19 3m34A1 PHE 126 HE2 0.08 -0.03 -0.26 -0.04 7.38 7.12 3m34A1 PHE 126 HZ 0.06 0.14 -0.20 -0.04 7.32 7.29 3m34A1 ALA 127 H -0.06 0.42 -0.36 -0.55 8.40 7.86 3m34A1 ALA 127 HA -0.01 0.05 0.16 -0.75 4.34 3.79 3m34A1 ALA 127 HB3 -0.10 -0.01 0.02 -0.04 1.41 1.27 3m34A1 ALA 129 HA -1.05 -0.12 0.27 -0.75 4.34 2.69 3m34A1 ALA 129 HB3 -0.91 0.00 0.06 -0.04 1.41 0.52 3m34A1 ALA 130 H -0.27 0.60 -1.10 -0.55 8.40 7.08 3m34A1 ALA 130 HA -0.16 0.00 0.30 -0.75 4.34 3.72 3m34A1 ALA 130 HB3 -0.06 0.02 0.03 -0.04 1.41 1.36 3m34A1 LYS 131 H -0.10 0.59 0.36 -0.55 8.42 8.71 3m34A1 LYS 131 HA -0.06 0.03 0.34 -0.75 4.32 3.87 3m34A1 LYS 131 HB2 0.04 0.02 0.03 -0.04 1.87 1.92 3m34A1 LYS 131 HB3 -0.07 -0.07 -0.00 -0.04 1.79 1.61 3m34A1 LYS 131 HG2 -0.04 0.19 0.08 -0.04 1.46 1.65 3m34A1 LYS 131 HG3 0.02 0.01 0.00 -0.04 1.46 1.46 3m34A1 LYS 131 HD2 -0.03 -0.04 0.02 -0.04 1.69 1.61 3m34A1 LYS 131 HD3 -0.05 -0.01 -0.02 -0.04 1.68 1.56 3m34A1 LYS 131 HE2 -0.03 -0.07 -0.02 -0.04 2.99 2.83 3m34A1 LYS 131 HE3 -0.01 0.12 0.08 -0.04 2.99 3.14 3m34A1 LYS 132 H -0.06 0.19 -0.27 -0.55 8.42 7.72 3m34A1 LYS 132 HA -0.15 0.08 0.64 -0.75 4.32 4.13 3m34A1 LYS 132 HB2 0.06 -0.08 0.05 -0.04 1.87 1.86 3m34A1 LYS 132 HB3 -0.09 0.14 0.05 -0.04 1.79 1.86 3m34A1 LYS 132 HG2 -0.03 -0.01 -0.06 -0.04 1.46 1.32 3m34A1 LYS 132 HG3 0.26 -0.00 -0.22 -0.04 1.46 1.45 3m34A1 LYS 132 HD2 -0.11 -0.08 0.12 -0.04 1.69 1.58 3m34A1 LYS 132 HD3 -0.24 -0.02 0.03 -0.04 1.68 1.41 3m34A1 LYS 132 HE2 0.05 -0.03 -0.14 -0.04 2.99 2.83 3m34A1 LYS 132 HE3 0.10 -0.06 -0.08 -0.04 2.99 2.91 3m34A1 ALA 133 H 0.08 0.74 -0.05 -0.55 8.40 8.62 3m34A1 ALA 133 HA 0.20 0.01 0.43 -0.75 4.34 4.23 3m34A1 ALA 133 HB3 0.17 0.03 0.06 -0.04 1.41 1.63 3m34A1 GLN 134 H 0.03 0.67 -0.18 -0.55 8.47 8.44 3m34A1 GLN 134 HA 0.07 0.00 0.40 -0.75 4.36 4.07 3m34A1 GLN 134 HB2 0.01 0.09 0.04 -0.04 2.15 2.25 3m34A1 GLN 134 HB3 -0.02 0.12 0.10 -0.04 2.02 2.19 3m34A1 GLN 134 HG2 0.01 -0.11 -0.20 -0.04 2.40 2.05 3m34A1 GLN 134 HG3 0.03 -0.03 -0.16 -0.04 2.39 2.19 3m34A1 GLN 134 HE21 -0.02 -0.01 -0.02 -0.04 6.97 6.88 3m34A1 GLN 134 HE22 -0.02 -0.00 -0.04 -0.04 7.69 7.58 3m34A1 ASN 135 H -0.02 0.52 -0.16 -0.55 8.53 8.32 3m34A1 ASN 135 HA -0.02 -0.08 0.46 -0.75 4.76 4.37 3m34A1 ASN 135 HB2 -0.10 -0.09 0.08 -0.04 2.88 2.72 3m34A1 ASN 135 HB3 -0.06 0.22 0.22 -0.04 2.79 3.13 3m34A1 ASN 135 HD21 -0.04 -0.03 0.05 -0.04 7.03 6.97 3m34A1 ASN 135 HD22 -0.05 -0.11 0.02 -0.04 7.74 7.55 3m34A1 LEU 136 H 0.06 0.49 -0.21 -0.55 8.37 8.17 3m34A1 LEU 136 HA 0.04 0.04 0.50 -0.75 4.35 4.18 3m34A1 LEU 136 HB2 0.10 0.08 0.12 -0.04 1.64 1.89 3m34A1 LEU 136 HB3 0.07 -0.11 -0.03 -0.04 1.64 1.53 3m34A1 LEU 136 HG 0.11 0.16 0.02 -0.04 1.64 1.89 3m34A1 LEU 136 HD13 0.22 -0.01 -0.10 -0.04 0.93 0.99 3m34A1 LEU 136 HD23 0.07 -0.02 -0.04 -0.04 0.89 0.87 3m34A1 LEU 137 H 0.07 0.48 -0.05 -0.55 8.37 8.33 3m34A1 LEU 137 HA 0.05 0.07 0.54 -0.75 4.35 4.25 3m34A1 LEU 137 HB2 0.12 0.16 -0.00 -0.04 1.64 1.88 3m34A1 LEU 137 HB3 0.11 -0.13 0.02 -0.04 1.64 1.59 3m34A1 LEU 137 HG 0.09 0.04 -0.07 -0.04 1.64 1.65 3m34A1 LEU 137 HD13 0.16 -0.00 -0.08 -0.04 0.93 0.96 3m34A1 LEU 137 HD23 0.06 -0.01 -0.11 -0.04 0.89 0.79 3m34A1 GLY 138 H 0.05 0.47 0.01 -0.55 8.43 8.41 3m34A1 GLY 138 HA2 0.03 0.09 0.39 -0.51 4.01 4.02 3m34A1 GLY 138 HA3 0.03 0.02 0.69 -0.51 4.01 4.24 3m34A1 SER 139 H 0.03 0.13 0.17 -0.55 8.46 8.25 3m34A1 SER 139 HA 0.06 0.38 0.61 -0.75 4.49 4.78 3m34A1 SER 139 HB2 0.03 0.07 0.13 -0.04 3.95 4.14 3m34A1 SER 139 HB3 0.02 0.03 0.13 -0.04 3.93 4.08 3m34A1 ASP 140 H 0.05 0.02 -0.24 -0.55 8.40 7.67 3m34A1 ASP 140 HA 0.07 0.10 0.58 -0.75 4.63 4.63 3m34A1 ASP 140 HB2 0.02 0.01 0.02 -0.04 2.71 2.72 3m34A1 ASP 140 HB3 0.02 -0.06 0.06 -0.04 2.70 2.69 3m34A1 LEU 141 H 0.11 0.32 -0.39 -0.55 8.37 7.87 3m34A1 LEU 141 HA 0.29 0.18 0.88 -0.75 4.35 4.94 3m34A1 LEU 141 HB2 0.16 0.13 -0.14 -0.04 1.64 1.76 3m34A1 LEU 141 HB3 0.34 -0.04 -0.06 -0.04 1.64 1.83 3m34A1 LEU 141 HG -0.01 -0.06 -0.17 -0.04 1.64 1.36 3m34A1 LEU 141 HD13 -0.03 0.01 -0.04 -0.04 0.93 0.83 3m34A1 LEU 141 HD23 -0.36 0.04 -0.30 -0.04 0.89 0.23 3m34A1 ILE 142 H 0.16 0.34 -0.04 -0.55 8.25 8.17 3m34A1 ILE 142 HA 0.21 0.15 0.91 -0.75 4.18 4.70 3m34A1 ILE 142 HB 0.11 -0.03 0.00 -0.04 1.89 1.93 3m34A1 ILE 142 HG12 0.22 -0.10 -0.47 -0.04 1.49 1.11 3m34A1 ILE 142 HG13 0.19 -0.04 -0.45 -0.04 1.21 0.87 3m34A1 ILE 142 HG23 0.13 0.03 -0.11 -0.04 0.93 0.93 3m34A1 ILE 142 HD13 0.26 0.06 -0.16 -0.04 0.88 0.99 3m34A1 ASP 143 H 0.11 0.15 0.05 -0.55 8.40 8.16 3m34A1 ASP 143 HA -0.02 0.14 0.51 -0.75 4.63 4.51 3m34A1 ASP 143 HB2 0.05 -0.04 0.16 -0.04 2.71 2.84 3m34A1 ASP 143 HB3 0.08 0.22 -0.23 -0.04 2.70 2.73 3m34A1 HIS 144 H -0.18 0.07 0.07 -0.55 8.41 7.82 3m34A1 HIS 144 HA -0.03 0.07 0.32 -0.75 4.63 4.24 3m34A1 HIS 144 HB2 -0.14 -0.09 -0.12 -0.04 3.26 2.88 3m34A1 HIS 144 HB3 -0.21 0.15 -0.07 -0.04 3.20 3.02 3m34A1 HIS 144 HD2 -0.10 -0.13 0.06 -0.04 6.97 6.75 3m34A1 HIS 144 HE1 0.13 -0.05 -0.15 -0.04 7.75 7.64 3m34A1 LYS 145 H 0.12 0.03 0.21 -0.55 8.42 8.22 3m34A1 LYS 145 HA -0.10 0.32 0.91 -0.75 4.32 4.70 3m34A1 LYS 145 HB2 -0.15 -0.12 0.03 -0.04 1.87 1.60 3m34A1 LYS 145 HB3 -0.59 -0.02 0.00 -0.04 1.79 1.14 3m34A1 LYS 145 HG2 -0.00 -0.01 -0.06 -0.04 1.46 1.35 3m34A1 LYS 145 HG3 -0.06 -0.07 -0.03 -0.04 1.46 1.26 3m34A1 LYS 145 HD2 -0.16 -0.06 -0.12 -0.04 1.69 1.31 3m34A1 LYS 145 HD3 -0.09 0.10 0.01 -0.04 1.68 1.66 3m34A1 LYS 145 HE2 -0.00 -0.02 0.00 -0.04 2.99 2.93 3m34A1 LYS 145 HE3 -0.01 -0.14 0.06 -0.04 2.99 2.85 3m34A1 ILE 146 H -0.13 0.70 0.32 -0.55 8.25 8.60 3m34A1 ILE 146 HA 0.07 0.22 0.91 -0.75 4.18 4.63 3m34A1 ILE 146 HB 0.20 -0.07 0.06 -0.04 1.89 2.04 3m34A1 ILE 146 HG12 0.21 -0.05 -0.37 -0.04 1.49 1.24 3m34A1 ILE 146 HG13 0.20 0.09 -0.13 -0.04 1.21 1.33 3m34A1 ILE 146 HG23 0.25 0.01 -0.13 -0.04 0.93 1.02 3m34A1 ILE 146 HD13 0.04 -0.04 -0.39 -0.04 0.88 0.44 3m34A1 TYR 147 H 0.19 0.71 0.27 -0.55 8.29 8.91 3m34A1 TYR 147 HA 0.02 0.34 1.08 -0.75 4.56 5.24 3m34A1 TYR 147 HB2 -0.00 -0.02 0.08 -0.04 3.06 3.07 3m34A1 TYR 147 HB3 -0.04 -0.09 -0.05 -0.04 2.98 2.76 3m34A1 TYR 147 HD2 -0.02 0.00 -0.13 -0.04 7.15 6.96 3m34A1 TYR 147 HE2 -0.01 -0.01 -0.11 -0.04 6.85 6.69 3m34A1 CYS 148 H 0.08 0.65 0.40 -0.55 8.50 9.08 3m34A1 CYS 148 HA 0.12 0.30 1.12 -0.75 4.58 5.36 3m34A1 CYS 148 HB2 0.34 0.10 -0.15 -0.04 2.97 3.22 3m34A1 CYS 148 HB3 0.19 -0.07 0.08 -0.04 2.97 3.13 3m34A1 LEU 149 H -0.09 0.65 0.35 -0.55 8.37 8.74 3m34A1 LEU 149 HA -0.12 0.31 1.08 -0.75 4.35 4.86 3m34A1 LEU 149 HB2 -0.53 -0.11 0.18 -0.04 1.64 1.14 3m34A1 LEU 149 HB3 -0.33 -0.03 0.06 -0.04 1.64 1.31 3m34A1 LEU 149 HG -0.38 0.07 -0.10 -0.04 1.64 1.19 3m34A1 LEU 149 HD13 -1.01 -0.00 -0.08 -0.04 0.93 -0.21 3m34A1 LEU 149 HD23 -0.21 0.02 -0.09 -0.04 0.89 0.57 3m34A1 CYS 150 H -0.03 0.76 0.38 -0.55 8.50 9.06 3m34A1 CYS 150 HA 0.01 -0.03 0.79 -0.75 4.58 4.59 3m34A1 CYS 150 HB2 0.01 -0.16 0.08 -0.04 2.97 2.86 3m34A1 CYS 150 HB3 0.03 0.08 -0.31 -0.04 2.97 2.73 3m34A1 GLY 151 H 0.06 0.02 0.17 -0.55 8.43 8.12 3m34A1 GLY 151 HA2 0.16 0.37 0.98 -0.51 4.01 5.02 3m34A1 GLY 151 HA3 0.11 0.01 0.42 -0.51 4.01 4.03 3m34A1 ASP 152 H 0.11 0.26 0.23 -0.55 8.40 8.44 3m34A1 ASP 152 HA -0.03 0.13 0.32 -0.75 4.63 4.30 3m34A1 ASP 152 HB2 -0.01 0.00 0.13 -0.04 2.71 2.78 3m34A1 ASP 152 HB3 -0.12 0.07 -0.03 -0.04 2.70 2.58 3m34A1 GLY 153 H 0.01 0.07 -0.13 -0.55 8.43 7.83 3m34A1 GLY 153 HA2 -0.06 0.15 0.39 -0.51 4.01 3.98 3m34A1 GLY 153 HA3 -0.01 0.06 0.29 -0.51 4.01 3.83 3m34A1 ASP 154 H 0.00 0.01 -0.21 -0.55 8.40 7.66 3m34A1 ASP 154 HA -0.01 -0.04 0.53 -0.75 4.63 4.36 3m34A1 ASP 154 HB2 -0.03 0.16 0.11 -0.04 2.71 2.91 3m34A1 ASP 154 HB3 -0.01 0.08 0.00 -0.04 2.70 2.73 3m34A1 LEU 155 H -0.17 0.30 -0.23 -0.55 8.37 7.72 3m34A1 LEU 155 HA -0.23 0.10 0.42 -0.75 4.35 3.89 3m34A1 LEU 155 HB2 -0.47 0.00 0.00 -0.04 1.64 1.13 3m34A1 LEU 155 HB3 -0.32 0.04 -0.00 -0.04 1.64 1.32 3m34A1 LEU 155 HG -0.32 -0.03 -0.10 -0.04 1.64 1.14 3m34A1 LEU 155 HD13 -0.95 0.00 -0.15 -0.04 0.93 -0.22 3m34A1 LEU 155 HD23 -0.06 0.01 -0.20 -0.04 0.89 0.60 3m34A1 GLN 156 H -0.15 0.25 -0.31 -0.55 8.47 7.71 3m34A1 GLN 156 HA 0.10 0.13 0.67 -0.75 4.36 4.51 3m34A1 GLN 156 HB2 -0.05 0.01 0.09 -0.04 2.15 2.16 3m34A1 GLN 156 HB3 0.05 -0.01 0.04 -0.04 2.02 2.06 3m34A1 GLN 156 HG2 -0.09 0.01 -0.02 -0.04 2.40 2.25 3m34A1 GLN 156 HG3 -0.46 0.07 -0.03 -0.04 2.39 1.94 3m34A1 GLN 156 HE21 -0.07 -0.05 -0.12 -0.04 6.97 6.69 3m34A1 GLN 156 HE22 -0.43 -0.04 -0.11 -0.04 7.69 7.07 3m34A1 GLU 157 H -0.01 0.25 -0.27 -0.55 8.60 8.03 3m34A1 GLU 157 HA 0.08 0.04 0.45 -0.75 4.29 4.10 3m34A1 GLU 157 HB2 0.01 0.12 0.14 -0.04 2.09 2.32 3m34A1 GLU 157 HB3 0.04 -0.13 0.03 -0.04 1.99 1.89 3m34A1 GLU 157 HG2 0.01 0.12 0.03 -0.04 2.34 2.47 3m34A1 GLU 157 HG3 0.02 -0.02 -0.26 -0.04 2.34 2.03 3m34A1 GLY 158 H 0.11 0.18 0.20 -0.55 8.43 8.37 3m34A1 GLY 158 HA2 0.22 0.12 0.45 -0.51 4.01 4.29 3m34A1 GLY 158 HA3 0.10 0.07 0.35 -0.51 4.01 4.01 3m34A1 ILE 159 H 0.06 0.12 -0.24 -0.55 8.25 7.64 3m34A1 ILE 159 HA 0.03 0.01 0.29 -0.75 4.18 3.75 3m34A1 ILE 159 HB -0.22 0.01 0.02 -0.04 1.89 1.65 3m34A1 ILE 159 HG12 -0.11 0.01 -0.08 -0.04 1.49 1.26 3m34A1 ILE 159 HG13 -0.18 -0.12 -0.18 -0.04 1.21 0.69 3m34A1 ILE 159 HG23 -0.10 0.03 -0.17 -0.04 0.93 0.65 3m34A1 ILE 159 HD13 -0.59 0.04 -0.24 -0.04 0.88 0.05 3m34A1 SER 160 H 0.03 0.38 -0.41 -0.55 8.46 7.92 3m34A1 SER 160 HA -0.01 0.02 0.29 -0.75 4.49 4.04 3m34A1 SER 160 HB2 -0.09 -0.08 -0.02 -0.04 3.95 3.72 3m34A1 SER 160 HB3 -0.06 0.02 0.09 -0.04 3.93 3.94 3m34A1 TYR 161 H 0.18 0.28 -0.13 -0.55 8.29 8.07 3m34A1 TYR 161 HA -0.15 0.06 0.32 -0.75 4.56 4.03 3m34A1 TYR 161 HB2 -0.03 0.07 0.12 -0.04 3.06 3.17 3m34A1 TYR 161 HB3 -0.08 0.00 0.01 -0.04 2.98 2.87 3m34A1 TYR 161 HD2 -0.07 -0.00 -0.00 -0.04 7.15 7.03 3m34A1 TYR 161 HE2 -0.00 0.04 -0.17 -0.04 6.85 6.67 3m34A1 GLU 162 H 0.13 0.44 -0.10 -0.55 8.60 8.52 3m34A1 GLU 162 HA 0.07 0.05 0.45 -0.75 4.29 4.10 3m34A1 GLU 162 HB2 0.06 0.07 0.14 -0.04 2.09 2.32 3m34A1 GLU 162 HB3 0.06 -0.00 -0.00 -0.04 1.99 2.01 3m34A1 GLU 162 HG2 0.06 0.05 0.04 -0.04 2.34 2.45 3m34A1 GLU 162 HG3 0.08 0.13 -0.01 -0.04 2.34 2.51 3m34A1 ALA 163 H 0.04 0.53 -0.15 -0.55 8.40 8.27 3m34A1 ALA 163 HA 0.04 0.07 0.34 -0.75 4.34 4.03 3m34A1 ALA 163 HB3 0.01 0.01 0.04 -0.04 1.41 1.43 3m34A1 CYS 164 H 0.05 0.47 -0.15 -0.55 8.50 8.33 3m34A1 CYS 164 HA 0.36 0.04 0.41 -0.75 4.58 4.63 3m34A1 CYS 164 HB2 -0.14 0.06 0.10 -0.04 2.97 2.95 3m34A1 CYS 164 HB3 -0.11 0.01 -0.02 -0.04 2.97 2.81 3m34A1 SER 165 H 0.06 0.57 -0.17 -0.55 8.46 8.38 3m34A1 SER 165 HA 0.08 0.04 0.55 -0.75 4.49 4.41 3m34A1 SER 165 HB2 0.05 0.07 0.16 -0.04 3.95 4.19 3m34A1 SER 165 HB3 0.06 0.14 0.14 -0.04 3.93 4.23 3m34A1 LEU 166 H 0.08 0.37 -0.21 -0.55 8.37 8.07 3m34A1 LEU 166 HA 0.10 -0.00 0.44 -0.75 4.35 4.13 3m34A1 LEU 166 HB2 0.06 0.13 0.18 -0.04 1.64 1.97 3m34A1 LEU 166 HB3 0.06 0.01 -0.01 -0.04 1.64 1.66 3m34A1 LEU 166 HG 0.08 -0.03 0.03 -0.04 1.64 1.68 3m34A1 LEU 166 HD13 0.12 0.00 -0.01 -0.04 0.93 1.00 3m34A1 LEU 166 HD23 0.08 -0.00 -0.02 -0.04 0.89 0.91 3m34A1 ALA 167 H 0.13 0.30 -0.27 -0.55 8.40 8.01 3m34A1 ALA 167 HA 0.02 0.04 0.23 -0.75 4.34 3.88 3m34A1 ALA 167 HB3 0.11 0.01 0.09 -0.04 1.41 1.58 3m34A1 GLY 168 H 0.15 0.45 -0.14 -0.55 8.43 8.34 3m34A1 GLY 168 HA2 -0.05 0.02 0.48 -0.51 4.01 3.94 3m34A1 GLY 168 HA3 0.10 0.53 0.46 -0.51 4.01 4.59 3m34A1 LEU 169 H 0.03 0.47 -0.04 -0.55 8.37 8.29 3m34A1 LEU 169 HA -0.06 -0.02 0.46 -0.75 4.35 3.97 3m34A1 LEU 169 HB2 -0.05 -0.02 0.13 -0.04 1.64 1.66 3m34A1 LEU 169 HB3 -0.07 0.11 0.16 -0.04 1.64 1.80 3m34A1 LEU 169 HG -0.49 0.05 -0.24 -0.04 1.64 0.91 3m34A1 LEU 169 HD13 -0.10 -0.03 0.04 -0.04 0.93 0.80 3m34A1 LEU 169 HD23 -0.12 -0.03 -0.03 -0.04 0.89 0.68 3m34A1 HIS 170 H 0.08 0.56 -0.20 -0.55 8.41 8.29 3m34A1 HIS 170 HA 0.03 0.08 0.61 -0.75 4.63 4.60 3m34A1 HIS 170 HB2 0.01 0.09 0.02 -0.04 3.26 3.34 3m34A1 HIS 170 HB3 0.11 -0.03 0.06 -0.04 3.20 3.29 3m34A1 HIS 170 HD2 -0.06 0.10 0.03 -0.04 6.97 6.99 3m34A1 HIS 170 HE1 0.13 0.00 -0.10 -0.04 7.75 7.74 3m34A1 LYS 171 H 0.01 0.31 -0.55 -0.55 8.42 7.63 3m34A1 LYS 171 HA -0.03 0.07 0.39 -0.75 4.32 4.00 3m34A1 LYS 171 HB2 0.01 0.07 -0.14 -0.04 1.87 1.78 3m34A1 LYS 171 HB3 -0.01 -0.01 0.22 -0.04 1.79 1.95 3m34A1 LYS 171 HG2 -0.02 0.03 0.09 -0.04 1.46 1.53 3m34A1 LYS 171 HG3 -0.02 0.14 -0.12 -0.04 1.46 1.42 3m34A1 LYS 171 HD2 -0.01 -0.04 -0.00 -0.04 1.69 1.60 3m34A1 LYS 171 HD3 -0.01 -0.02 0.05 -0.04 1.68 1.67 3m34A1 LYS 171 HE2 -0.01 -0.04 0.04 -0.04 2.99 2.94 3m34A1 LYS 171 HE3 -0.02 0.08 0.04 -0.04 2.99 3.05 3m34A1 LEU 172 H -0.02 0.44 -0.01 -0.55 8.37 8.23 3m34A1 LEU 172 HA 0.01 0.16 0.61 -0.75 4.35 4.37 3m34A1 LEU 172 HB2 -0.00 -0.05 0.22 -0.04 1.64 1.76 3m34A1 LEU 172 HB3 0.00 -0.08 0.12 -0.04 1.64 1.64 3m34A1 LEU 172 HG 0.05 0.05 -0.15 -0.04 1.64 1.55 3m34A1 LEU 172 HD13 -0.10 -0.04 0.01 -0.04 0.93 0.75 3m34A1 LEU 172 HD23 0.03 0.04 -0.08 -0.04 0.89 0.84 3m34A1 ASP 173 H -0.02 0.53 0.06 -0.55 8.40 8.42 3m34A1 ASP 173 HA -0.04 0.14 -0.04 -0.75 4.63 3.94 3m34A1 ASP 173 HB2 -0.02 0.28 -0.00 -0.04 2.71 2.92 3m34A1 ASP 173 HB3 -0.03 0.00 -0.50 -0.04 2.70 2.13 3m34A1 ASN 174 H -0.01 -0.02 -0.73 -0.55 8.53 7.23 3m34A1 ASN 174 HA -0.06 0.25 0.73 -0.75 4.76 4.93 3m34A1 ASN 174 HB2 -0.12 0.15 0.17 -0.04 2.88 3.04 3m34A1 ASN 174 HB3 -0.08 0.04 -0.04 -0.04 2.79 2.67 3m34A1 ASN 174 HD21 -0.08 0.30 0.06 -0.04 7.03 7.27 3m34A1 ASN 174 HD22 -0.17 0.05 -0.07 -0.04 7.74 7.51 3m34A1 PHE 175 H 0.07 0.40 -0.04 -0.55 8.34 8.22 3m34A1 PHE 175 HA -0.08 0.20 0.72 -0.75 4.62 4.71 3m34A1 PHE 175 HB2 -0.04 -0.01 -0.01 -0.04 3.15 3.05 3m34A1 PHE 175 HB3 -0.09 0.14 0.24 -0.04 3.06 3.30 3m34A1 PHE 175 HD2 -0.01 0.10 -0.08 -0.04 7.28 7.26 3m34A1 PHE 175 HE2 0.26 -0.06 -0.18 -0.04 7.38 7.35 3m34A1 PHE 175 HZ 0.15 -0.12 -0.13 -0.04 7.32 7.18 3m34A1 ILE 176 H -0.17 0.83 0.38 -0.55 8.25 8.75 3m34A1 ILE 176 HA -0.30 0.26 0.99 -0.75 4.18 4.38 3m34A1 ILE 176 HB -0.28 -0.02 0.13 -0.04 1.89 1.69 3m34A1 ILE 176 HG12 -0.12 0.05 -0.17 -0.04 1.49 1.20 3m34A1 ILE 176 HG13 -0.21 -0.01 -0.61 -0.04 1.21 0.35 3m34A1 ILE 176 HG23 -0.00 -0.04 -0.19 -0.04 0.93 0.65 3m34A1 ILE 176 HD13 -0.18 0.00 -0.24 -0.04 0.88 0.43 3m34A1 LEU 177 H -0.38 0.86 0.34 -0.55 8.37 8.65 3m34A1 LEU 177 HA -0.19 0.12 0.91 -0.75 4.35 4.43 3m34A1 LEU 177 HB2 -0.55 0.05 -0.05 -0.04 1.64 1.05 3m34A1 LEU 177 HB3 -0.24 0.02 0.11 -0.04 1.64 1.50 3m34A1 LEU 177 HG -0.13 -0.09 -0.31 -0.04 1.64 1.07 3m34A1 LEU 177 HD13 0.09 0.02 -0.11 -0.04 0.93 0.89 3m34A1 LEU 177 HD23 0.01 -0.01 -0.14 -0.04 0.89 0.72 3m34A1 ILE 178 H -0.07 0.89 0.40 -0.55 8.25 8.92 3m34A1 ILE 178 HA -0.08 0.19 1.05 -0.75 4.18 4.58 3m34A1 ILE 178 HB -0.09 -0.02 0.19 -0.04 1.89 1.93 3m34A1 ILE 178 HG12 -0.06 -0.00 -0.13 -0.04 1.49 1.26 3m34A1 ILE 178 HG13 -0.02 0.05 -0.28 -0.04 1.21 0.91 3m34A1 ILE 178 HG23 -0.11 -0.03 -0.15 -0.04 0.93 0.60 3m34A1 ILE 178 HD13 -0.06 0.00 -0.12 -0.04 0.88 0.65 3m34A1 TYR 179 H -0.02 0.82 0.29 -0.55 8.29 8.84 3m34A1 TYR 179 HA -0.12 0.09 0.68 -0.75 4.56 4.46 3m34A1 TYR 179 HB2 -0.20 0.02 -0.12 -0.04 3.06 2.72 3m34A1 TYR 179 HB3 -0.19 0.07 0.11 -0.04 2.98 2.93 3m34A1 TYR 179 HD2 -0.12 0.05 -0.23 -0.04 7.15 6.80 3m34A1 TYR 179 HE2 -0.05 -0.08 -0.26 -0.04 6.85 6.42 3m34A1 ASP 180 H 0.02 0.78 0.41 -0.55 8.40 9.06 3m34A1 ASP 180 HA -0.21 0.18 0.66 -0.75 4.63 4.50 3m34A1 ASP 180 HB2 -0.10 0.07 0.12 -0.04 2.71 2.76 3m34A1 ASP 180 HB3 -0.04 -0.12 0.29 -0.04 2.70 2.80 3m34A1 SER 181 H -0.42 0.78 0.26 -0.55 8.46 8.54 3m34A1 SER 181 HA -0.50 -0.01 0.77 -0.75 4.49 4.00 3m34A1 SER 181 HB2 -1.18 0.01 -0.08 -0.04 3.95 2.66 3m34A1 SER 181 HB3 -0.40 0.07 0.02 -0.04 3.93 3.59 3m34A1 ASN 182 H -0.10 0.16 0.17 -0.55 8.53 8.21 3m34A1 ASN 182 HA -0.05 0.51 1.03 -0.75 4.76 5.50 3m34A1 ASN 182 HB2 0.01 -0.12 0.06 -0.04 2.88 2.79 3m34A1 ASN 182 HB3 -0.04 0.00 -0.25 -0.04 2.79 2.47 3m34A1 ASN 182 HD21 0.08 0.01 -0.03 -0.04 7.03 7.04 3m34A1 ASN 182 HD22 0.03 0.01 -0.12 -0.04 7.74 7.61 3m34A1 ASN 183 H -0.03 0.04 0.02 -0.55 8.53 8.01 3m34A1 ASN 183 HA 0.03 -0.02 0.34 -0.75 4.76 4.35 3m34A1 ASN 183 HB2 0.01 0.04 -0.13 -0.04 2.88 2.75 3m34A1 ASN 183 HB3 0.01 0.22 0.07 -0.04 2.79 3.05 3m34A1 ASN 183 HD21 0.05 -0.05 0.11 -0.04 7.03 7.09 3m34A1 ASN 183 HD22 0.05 0.03 0.10 -0.04 7.74 7.89 3m34A1 ILE 184 H 0.02 0.04 -0.34 -0.55 8.25 7.42 3m34A1 ILE 184 HA 0.03 0.30 0.95 -0.75 4.18 4.71 3m34A1 ILE 184 HB 0.05 -0.10 -0.08 -0.04 1.89 1.73 3m34A1 ILE 184 HG12 0.04 0.06 -0.40 -0.04 1.49 1.14 3m34A1 ILE 184 HG13 0.05 -0.02 -0.22 -0.04 1.21 0.98 3m34A1 ILE 184 HG23 0.09 -0.00 -0.26 -0.04 0.93 0.72 3m34A1 ILE 184 HD13 0.07 0.01 -0.08 -0.04 0.88 0.84 3m34A1 SER 185 H -0.00 0.78 0.25 -0.55 8.46 8.95 3m34A1 SER 185 HA -0.08 0.12 0.46 -0.75 4.49 4.24 3m34A1 SER 185 HB2 -0.09 -0.05 0.18 -0.04 3.95 3.94 3m34A1 SER 185 HB3 -0.04 0.00 -0.05 -0.04 3.93 3.80 3m34A1 ILE 186 H -0.19 0.15 0.13 -0.55 8.25 7.79 3m34A1 ILE 186 HA -0.10 0.15 0.41 -0.75 4.18 3.89 3m34A1 ILE 186 HB -0.12 -0.03 0.14 -0.04 1.89 1.84 3m34A1 ILE 186 HG12 -0.32 0.07 0.03 -0.04 1.49 1.23 3m34A1 ILE 186 HG13 -0.64 -0.13 0.07 -0.04 1.21 0.47 3m34A1 ILE 186 HG23 -0.02 0.03 -0.05 -0.04 0.93 0.85 3m34A1 ILE 186 HD13 -0.05 0.02 0.02 -0.04 0.88 0.83 3m34A1 GLU 187 H -0.07 0.00 -0.25 -0.55 8.60 7.73 3m34A1 GLU 187 HA -0.10 0.20 0.45 -0.75 4.29 4.08 3m34A1 GLU 187 HB2 -0.05 -0.05 -0.04 -0.04 2.09 1.91 3m34A1 GLU 187 HB3 -0.06 0.04 0.06 -0.04 1.99 2.00 3m34A1 GLU 187 HG2 -0.05 0.07 -0.03 -0.04 2.34 2.29 3m34A1 GLU 187 HG3 -0.05 -0.09 -0.08 -0.04 2.34 2.09 3m34A1 GLY 188 H -0.07 0.22 -0.55 -0.55 8.43 7.49 3m34A1 GLY 188 HA2 -0.08 0.02 0.26 -0.51 4.01 3.71 3m34A1 GLY 188 HA3 -0.15 0.16 0.79 -0.51 4.01 4.30 3m34A1 ASP 189 H -0.02 0.19 0.18 -0.55 8.40 8.20 3m34A1 ASP 189 HA 0.02 0.28 0.49 -0.75 4.63 4.67 3m34A1 ASP 189 HB2 0.01 0.06 0.21 -0.04 2.71 2.95 3m34A1 ASP 189 HB3 0.01 -0.06 0.11 -0.04 2.70 2.72 3m34A1 VAL 190 H 0.03 0.54 0.19 -0.55 8.24 8.45 3m34A1 VAL 190 HA 0.03 0.04 0.28 -0.75 4.13 3.74 3m34A1 VAL 190 HB 0.06 -0.00 0.04 -0.04 2.12 2.18 3m34A1 VAL 190 HG13 0.13 0.04 -0.15 -0.04 0.97 0.96 3m34A1 VAL 190 HG23 0.01 -0.02 -0.31 -0.04 0.95 0.58 3m34A1 GLY 191 H 0.06 0.08 -0.15 -0.55 8.43 7.86 3m34A1 GLY 191 HA2 0.08 0.27 0.44 -0.51 4.01 4.29 3m34A1 GLY 191 HA3 0.04 0.03 0.25 -0.51 4.01 3.83 3m34A1 LEU 192 H 0.03 0.37 -0.51 -0.55 8.37 7.72 3m34A1 LEU 192 HA 0.01 0.06 0.40 -0.75 4.35 4.07 3m34A1 LEU 192 HB2 0.01 0.06 -0.05 -0.04 1.64 1.62 3m34A1 LEU 192 HB3 0.00 -0.01 -0.02 -0.04 1.64 1.57 3m34A1 LEU 192 HG -0.00 -0.09 0.02 -0.04 1.64 1.53 3m34A1 LEU 192 HD13 -0.03 -0.01 -0.05 -0.04 0.93 0.79 3m34A1 LEU 192 HD23 -0.01 -0.00 0.02 -0.04 0.89 0.86 3m34A1 ALA 193 H 0.08 0.39 -0.26 -0.55 8.40 8.06 3m34A1 ALA 193 HA 0.05 0.20 0.81 -0.75 4.34 4.64 3m34A1 ALA 193 HB3 0.06 -0.02 -0.05 -0.04 1.41 1.36 3m34A1 PHE 194 H 0.16 0.28 0.04 -0.55 8.34 8.27 3m34A1 PHE 194 HA 0.03 0.09 0.79 -0.75 4.62 4.77 3m34A1 PHE 194 HB2 0.03 0.08 -0.35 -0.04 3.15 2.87 3m34A1 PHE 194 HB3 0.04 -0.04 -0.04 -0.04 3.06 2.98 3m34A1 PHE 194 HD2 0.06 0.04 -0.12 -0.04 7.28 7.22 3m34A1 PHE 194 HE2 0.08 0.07 -0.10 -0.04 7.38 7.39 3m34A1 PHE 194 HZ 0.00 0.05 -0.13 -0.04 7.32 7.20 3m34A1 ASN 195 H -0.36 0.13 0.06 -0.55 8.53 7.81 3m34A1 ASN 195 HA -0.08 0.14 0.45 -0.75 4.76 4.52 3m34A1 ASN 195 HB2 -0.04 0.00 0.16 -0.04 2.88 2.97 3m34A1 ASN 195 HB3 -0.03 0.07 -0.18 -0.04 2.79 2.61 3m34A1 ASN 195 HD21 -0.04 0.00 -0.05 -0.04 7.03 6.90 3m34A1 ASN 195 HD22 -0.03 0.00 -0.01 -0.04 7.74 7.66 3m34A1 GLU 196 H -1.09 0.02 0.04 -0.55 8.60 7.02 3m34A1 GLU 196 HA -0.21 0.07 0.42 -0.75 4.29 3.82 3m34A1 GLU 196 HB2 -0.37 -0.06 -0.14 -0.04 2.09 1.48 3m34A1 GLU 196 HB3 -0.10 0.13 -0.16 -0.04 1.99 1.82 3m34A1 GLU 196 HG2 -0.22 0.04 0.03 -0.04 2.34 2.15 3m34A1 GLU 196 HG3 -0.89 -0.13 0.07 -0.04 2.34 1.35 3m34A1 ASN 197 H -0.05 0.18 0.11 -0.55 8.53 8.22 3m34A1 ASN 197 HA 0.02 0.07 0.77 -0.75 4.76 4.87 3m34A1 ASN 197 HB2 -0.01 0.05 0.13 -0.04 2.88 3.01 3m34A1 ASN 197 HB3 0.00 0.06 0.21 -0.04 2.79 3.02 3m34A1 ASN 197 HD21 0.01 0.00 -0.00 -0.04 7.03 7.01 3m34A1 ASN 197 HD22 0.01 0.03 0.02 -0.04 7.74 7.75 3m34A1 VAL 198 H 0.10 0.22 -0.01 -0.55 8.24 8.00 3m34A1 VAL 198 HA 0.17 0.10 0.17 -0.75 4.13 3.81 3m34A1 VAL 198 HB 0.18 -0.03 0.03 -0.04 2.12 2.26 3m34A1 VAL 198 HG13 0.10 0.00 -0.17 -0.04 0.97 0.86 3m34A1 VAL 198 HG23 0.35 0.05 -0.11 -0.04 0.95 1.19 3m34A1 LYS 199 H 0.07 0.02 -0.25 -0.55 8.42 7.71 3m34A1 LYS 199 HA 0.06 0.09 0.12 -0.75 4.32 3.83 3m34A1 LYS 199 HB2 0.03 -0.02 -0.01 -0.04 1.87 1.83 3m34A1 LYS 199 HB3 0.04 0.00 0.03 -0.04 1.79 1.82 3m34A1 LYS 199 HG2 0.04 0.02 0.05 -0.04 1.46 1.53 3m34A1 LYS 199 HG3 0.03 0.02 0.02 -0.04 1.46 1.49 3m34A1 LYS 199 HD2 0.02 -0.04 -0.04 -0.04 1.69 1.59 3m34A1 LYS 199 HD3 0.02 -0.01 -0.00 -0.04 1.68 1.65 3m34A1 LYS 199 HE2 0.02 0.14 0.01 -0.04 2.99 3.11 3m34A1 LYS 199 HE3 0.01 -0.02 0.01 -0.04 2.99 2.94 3m34A1 ARG 201 HA 0.01 -0.06 0.31 -0.75 4.34 3.83 3m34A1 ARG 201 HB2 0.04 -0.07 0.02 -0.04 1.90 1.84 3m34A1 ARG 201 HB3 0.10 0.03 0.03 -0.04 1.80 1.93 3m34A1 ARG 201 HG2 -0.52 0.05 -0.48 -0.04 1.67 0.68 3m34A1 ARG 201 HG3 -0.13 -0.02 -0.14 -0.04 1.67 1.33 3m34A1 ARG 201 HD2 0.09 -0.04 -0.09 -0.04 3.22 3.14 3m34A1 ARG 201 HD3 0.05 -0.06 -0.10 -0.04 3.22 3.08 3m34A1 PHE 202 H 0.26 0.55 -0.59 -0.55 8.34 8.00 3m34A1 PHE 202 HA -0.17 0.06 0.47 -0.75 4.62 4.23 3m34A1 PHE 202 HB2 -0.13 0.11 0.04 -0.04 3.15 3.13 3m34A1 PHE 202 HB3 -0.26 0.00 -0.10 -0.04 3.06 2.66 3m34A1 PHE 202 HD2 -1.17 0.18 -0.08 -0.04 7.28 6.17 3m34A1 PHE 202 HE2 -0.44 -0.03 -0.12 -0.04 7.38 6.74 3m34A1 PHE 202 HZ -0.34 -0.08 -0.14 -0.04 7.32 6.73 3m34A1 GLU 203 H 0.13 0.56 0.29 -0.55 8.60 9.04 3m34A1 GLU 203 HA 0.16 0.25 0.56 -0.75 4.29 4.51 3m34A1 GLU 203 HB2 0.07 -0.01 0.05 -0.04 2.09 2.16 3m34A1 GLU 203 HB3 0.07 -0.03 0.02 -0.04 1.99 2.01 3m34A1 GLU 203 HG2 0.09 0.12 0.10 -0.04 2.34 2.62 3m34A1 GLU 203 HG3 0.10 0.03 0.07 -0.04 2.34 2.51 3m34A1 ALA 204 H 0.05 0.12 -0.34 -0.55 8.40 7.69 3m34A1 ALA 204 HA 0.04 0.03 0.39 -0.75 4.34 4.04 3m34A1 ALA 204 HB3 0.01 0.04 0.05 -0.04 1.41 1.48 3m34A1 GLN 205 H 0.06 0.23 -0.50 -0.55 8.47 7.71 3m34A1 GLN 205 HA 0.08 0.12 0.81 -0.75 4.36 4.62 3m34A1 GLN 205 HB2 0.02 0.03 0.02 -0.04 2.15 2.17 3m34A1 GLN 205 HB3 0.16 0.04 0.00 -0.04 2.02 2.17 3m34A1 GLN 205 HG2 0.00 -0.01 -0.09 -0.04 2.40 2.27 3m34A1 GLN 205 HG3 -0.08 0.15 -0.07 -0.04 2.39 2.34 3m34A1 GLN 205 HE21 0.01 0.04 0.06 -0.04 6.97 7.04 3m34A1 GLN 205 HE22 0.01 -0.01 -0.02 -0.04 7.69 7.63 3m34A1 GLY 206 H 0.15 0.44 -0.27 -0.55 8.43 8.21 3m34A1 GLY 206 HA2 0.09 0.00 0.28 -0.51 4.01 3.88 3m34A1 GLY 206 HA3 0.09 0.07 0.27 -0.51 4.01 3.93 3m34A1 PHE 207 H 0.44 0.34 -0.01 -0.55 8.34 8.56 3m34A1 PHE 207 HA 0.08 0.33 0.74 -0.75 4.62 5.01 3m34A1 PHE 207 HB2 0.21 -0.08 -0.23 -0.04 3.15 3.01 3m34A1 PHE 207 HB3 0.09 0.01 -0.21 -0.04 3.06 2.90 3m34A1 PHE 207 HD2 0.09 -0.00 -0.44 -0.04 7.28 6.89 3m34A1 PHE 207 HE2 0.11 0.08 -0.13 -0.04 7.38 7.40 3m34A1 PHE 207 HZ 0.45 -0.07 -0.07 -0.04 7.32 7.59 3m34A1 GLU 208 H 0.07 0.54 0.19 -0.55 8.60 8.86 3m34A1 GLU 208 HA 0.08 0.06 0.75 -0.75 4.29 4.43 3m34A1 GLU 208 HB2 0.03 0.01 0.08 -0.04 2.09 2.17 3m34A1 GLU 208 HB3 0.02 0.07 0.08 -0.04 1.99 2.13 3m34A1 GLU 208 HG2 0.02 -0.05 -0.32 -0.04 2.34 1.95 3m34A1 GLU 208 HG3 0.03 -0.04 0.01 -0.04 2.34 2.30 3m34A1 VAL 209 H 0.05 0.20 0.09 -0.55 8.24 8.02 3m34A1 VAL 209 HA 0.00 0.33 1.10 -0.75 4.13 4.81 3m34A1 VAL 209 HB 0.03 -0.05 0.08 -0.04 2.12 2.14 3m34A1 VAL 209 HG13 -0.04 -0.04 -0.21 -0.04 0.97 0.64 3m34A1 VAL 209 HG23 0.07 0.05 -0.25 -0.04 0.95 0.78 3m34A1 LEU 210 H -0.03 0.79 0.41 -0.55 8.37 8.98 3m34A1 LEU 210 HA -0.02 0.14 0.83 -0.75 4.35 4.55 3m34A1 LEU 210 HB2 -0.04 -0.03 0.09 -0.04 1.64 1.62 3m34A1 LEU 210 HB3 -0.03 -0.03 0.03 -0.04 1.64 1.57 3m34A1 LEU 210 HG -0.02 0.04 -0.20 -0.04 1.64 1.42 3m34A1 LEU 210 HD13 -0.02 -0.00 -0.07 -0.04 0.93 0.79 3m34A1 LEU 210 HD23 -0.01 0.03 -0.14 -0.04 0.89 0.73 3m34A1 SER 211 H -0.03 0.27 0.16 -0.55 8.46 8.31 3m34A1 SER 211 HA -0.05 0.23 1.06 -0.75 4.49 4.98 3m34A1 SER 211 HB2 -0.02 -0.00 0.13 -0.04 3.95 4.01 3m34A1 SER 211 HB3 -0.03 0.00 0.06 -0.04 3.93 3.91 3m34A1 ILE 212 H -0.08 0.79 0.35 -0.55 8.25 8.76 3m34A1 ILE 212 HA -0.06 0.17 0.86 -0.75 4.18 4.40 3m34A1 ILE 212 HB -0.07 -0.06 -0.03 -0.04 1.89 1.69 3m34A1 ILE 212 HG12 -0.10 0.05 -0.31 -0.04 1.49 1.10 3m34A1 ILE 212 HG13 -0.12 -0.16 -0.54 -0.04 1.21 0.35 3m34A1 ILE 212 HG23 -0.05 0.03 -0.29 -0.04 0.93 0.57 3m34A1 ILE 212 HD13 -0.10 0.03 -0.25 -0.04 0.88 0.52 3m34A1 ASN 213 H -0.07 0.17 0.17 -0.55 8.53 8.25 3m34A1 ASN 213 HA -0.11 0.22 0.96 -0.75 4.76 5.08 3m34A1 ASN 213 HB2 -0.05 0.09 0.13 -0.04 2.88 3.00 3m34A1 ASN 213 HB3 -0.06 -0.04 0.24 -0.04 2.79 2.88 3m34A1 ASN 213 HD21 -0.01 0.05 -0.06 -0.04 7.03 6.97 3m34A1 ASN 213 HD22 -0.03 0.04 0.01 -0.04 7.74 7.72 3m34A1 GLY 214 H -0.25 0.89 0.14 -0.55 8.43 8.66 3m34A1 GLY 214 HA2 -0.21 0.09 0.21 -0.51 4.01 3.58 3m34A1 GLY 214 HA3 -0.34 0.07 0.14 -0.51 4.01 3.37 3m34A1 HIS 215 H -0.21 0.05 -0.47 -0.55 8.41 7.24 3m34A1 HIS 215 HA -0.25 0.19 0.64 -0.75 4.63 4.46 3m34A1 HIS 215 HB2 -0.12 -0.01 0.02 -0.04 3.26 3.11 3m34A1 HIS 215 HB3 -0.16 0.03 0.17 -0.04 3.20 3.19 3m34A1 HIS 215 HD2 -0.07 0.03 -0.00 -0.04 6.97 6.88 3m34A1 HIS 215 HE1 -0.07 0.16 0.17 -0.04 7.75 7.97 3m34A1 ASP 216 H -0.16 0.45 -0.10 -0.55 8.40 8.04 3m34A1 ASP 216 HA -0.19 0.20 0.96 -0.75 4.63 4.85 3m34A1 ASP 216 HB2 -0.07 0.04 0.07 -0.04 2.71 2.71 3m34A1 ASP 216 HB3 -0.07 0.04 0.26 -0.04 2.70 2.88 3m34A1 TYR 217 H -0.27 0.25 0.06 -0.55 8.29 7.78 3m34A1 TYR 217 HA -0.01 0.12 0.16 -0.75 4.56 4.07 3m34A1 TYR 217 HB2 -0.02 -0.05 0.05 -0.04 3.06 3.00 3m34A1 TYR 217 HB3 -0.03 0.10 -0.03 -0.04 2.98 2.97 3m34A1 TYR 217 HD2 0.00 0.00 -0.00 -0.04 7.15 7.11 3m34A1 TYR 217 HE2 0.03 0.03 -0.01 -0.04 6.85 6.86 3m34A1 GLU 218 H 0.08 0.07 -0.12 -0.55 8.60 8.09 3m34A1 GLU 218 HA 0.04 0.15 0.48 -0.75 4.29 4.21 3m34A1 GLU 218 HB2 0.02 -0.05 0.08 -0.04 2.09 2.10 3m34A1 GLU 218 HB3 0.02 0.07 -0.00 -0.04 1.99 2.04 3m34A1 GLU 218 HG2 0.02 0.08 0.02 -0.04 2.34 2.42 3m34A1 GLU 218 HG3 0.05 -0.08 0.02 -0.04 2.34 2.29 3m34A1 GLU 219 H -0.01 0.06 -0.26 -0.55 8.60 7.84 3m34A1 GLU 219 HA -0.01 0.10 0.42 -0.75 4.29 4.04 3m34A1 GLU 219 HB2 -0.03 -0.06 0.14 -0.04 2.09 2.09 3m34A1 GLU 219 HB3 -0.05 0.11 0.07 -0.04 1.99 2.08 3m34A1 GLU 219 HG2 -0.04 0.03 0.05 -0.04 2.34 2.34 3m34A1 GLU 219 HG3 -0.02 0.04 0.08 -0.04 2.34 2.39 3m34A1 ILE 220 H -0.03 0.51 -0.12 -0.55 8.25 8.06 3m34A1 ILE 220 HA -0.06 0.01 0.42 -0.75 4.18 3.80 3m34A1 ILE 220 HB 0.01 0.08 0.04 -0.04 1.89 1.97 3m34A1 ILE 220 HG12 -0.10 -0.05 -0.10 -0.04 1.49 1.19 3m34A1 ILE 220 HG13 -0.10 0.10 -0.04 -0.04 1.21 1.13 3m34A1 ILE 220 HG23 -0.03 0.01 -0.17 -0.04 0.93 0.69 3m34A1 ILE 220 HD13 -0.10 0.01 -0.49 -0.04 0.88 0.25 3m34A1 ASN 221 H 0.03 0.52 -0.14 -0.55 8.53 8.39 3m34A1 ASN 221 HA 0.04 0.08 0.38 -0.75 4.76 4.50 3m34A1 ASN 221 HB2 0.06 0.02 0.09 -0.04 2.88 3.02 3m34A1 ASN 221 HB3 0.04 0.02 0.13 -0.04 2.79 2.94 3m34A1 ASN 221 HD21 0.06 0.03 -0.10 -0.04 7.03 6.98 3m34A1 ASN 221 HD22 0.04 -0.03 -0.13 -0.04 7.74 7.58 3m34A1 LYS 222 H 0.01 0.52 -0.12 -0.55 8.42 8.27 3m34A1 LYS 222 HA 0.02 0.05 0.44 -0.75 4.32 4.07 3m34A1 LYS 222 HB2 0.01 0.01 0.12 -0.04 1.87 1.96 3m34A1 LYS 222 HB3 -0.01 0.03 0.14 -0.04 1.79 1.91 3m34A1 LYS 222 HG2 -0.00 0.00 -0.17 -0.04 1.46 1.24 3m34A1 LYS 222 HG3 0.01 0.00 0.03 -0.04 1.46 1.46 3m34A1 LYS 222 HD2 0.00 -0.02 -0.01 -0.04 1.69 1.62 3m34A1 LYS 222 HD3 -0.00 -0.04 -0.02 -0.04 1.68 1.58 3m34A1 LYS 222 HE2 -0.00 0.02 -0.03 -0.04 2.99 2.93 3m34A1 LYS 222 HE3 0.00 0.02 -0.02 -0.04 2.99 2.95 3m34A1 ALA 223 H -0.03 0.52 -0.28 -0.55 8.40 8.06 3m34A1 ALA 223 HA -0.03 0.00 0.39 -0.75 4.34 3.95 3m34A1 ALA 223 HB3 -0.05 0.01 0.02 -0.04 1.41 1.35 3m34A1 LEU 224 H -0.09 0.52 -0.15 -0.55 8.37 8.11 3m34A1 LEU 224 HA -0.08 0.02 0.47 -0.75 4.35 4.01 3m34A1 LEU 224 HB2 -0.43 0.09 0.09 -0.04 1.64 1.35 3m34A1 LEU 224 HB3 -0.55 0.04 -0.05 -0.04 1.64 1.04 3m34A1 LEU 224 HG -0.14 0.02 -0.02 -0.04 1.64 1.46 3m34A1 LEU 224 HD13 -0.22 -0.01 -0.18 -0.04 0.93 0.48 3m34A1 LEU 224 HD23 -0.06 -0.01 -0.09 -0.04 0.89 0.69 3m34A1 GLU 225 H -0.03 0.53 -0.14 -0.55 8.60 8.41 3m34A1 GLU 225 HA 0.06 0.08 0.40 -0.75 4.29 4.08 3m34A1 GLU 225 HB2 0.04 0.04 0.11 -0.04 2.09 2.24 3m34A1 GLU 225 HB3 0.06 -0.03 -0.02 -0.04 1.99 1.96 3m34A1 GLU 225 HG2 0.17 0.13 0.04 -0.04 2.34 2.63 3m34A1 GLU 225 HG3 0.10 -0.09 -0.03 -0.04 2.34 2.27 3m34A1 GLN 226 H -0.01 0.38 -0.28 -0.55 8.47 8.01 3m34A1 GLN 226 HA 0.01 0.05 0.38 -0.75 4.36 4.05 3m34A1 GLN 226 HB2 0.00 -0.03 0.06 -0.04 2.15 2.14 3m34A1 GLN 226 HB3 -0.01 0.02 0.12 -0.04 2.02 2.11 3m34A1 GLN 226 HG2 -0.00 0.01 -0.20 -0.04 2.40 2.17 3m34A1 GLN 226 HG3 0.00 0.00 -0.01 -0.04 2.39 2.34 3m34A1 GLN 226 HE21 0.00 -0.05 -0.03 -0.04 6.97 6.85 3m34A1 GLN 226 HE22 0.00 0.02 -0.06 -0.04 7.69 7.61 3m34A1 ALA 227 H -0.02 0.72 -0.05 -0.55 8.40 8.50 3m34A1 ALA 227 HA -0.02 -0.03 0.36 -0.75 4.34 3.89 3m34A1 ALA 227 HB3 -0.03 -0.02 0.03 -0.04 1.41 1.35 3m34A1 LYS 228 H 0.01 0.51 -0.29 -0.55 8.42 8.10 3m34A1 LYS 228 HA -0.01 0.08 0.37 -0.75 4.32 4.01 3m34A1 LYS 228 HB2 0.06 0.08 0.05 -0.04 1.87 2.02 3m34A1 LYS 228 HB3 0.07 -0.01 0.05 -0.04 1.79 1.85 3m34A1 LYS 228 HG2 0.11 -0.02 -0.02 -0.04 1.46 1.49 3m34A1 LYS 228 HG3 0.07 -0.03 0.02 -0.04 1.46 1.48 3m34A1 LYS 228 HD2 0.14 -0.12 -0.11 -0.04 1.69 1.55 3m34A1 LYS 228 HD3 0.12 -0.01 -0.17 -0.04 1.68 1.57 3m34A1 LYS 228 HE2 0.16 0.03 -0.02 -0.04 2.99 3.12 3m34A1 LYS 228 HE3 0.26 0.03 -0.03 -0.04 2.99 3.22 3m34A1 LYS 229 H 0.01 0.28 -0.57 -0.55 8.42 7.59 3m34A1 LYS 229 HA 0.01 0.14 0.76 -0.75 4.32 4.48 3m34A1 LYS 229 HB2 0.01 0.08 0.07 -0.04 1.87 1.99 3m34A1 LYS 229 HB3 0.01 -0.12 0.11 -0.04 1.79 1.75 3m34A1 LYS 229 HG2 0.03 0.02 -0.02 -0.04 1.46 1.44 3m34A1 LYS 229 HG3 0.03 0.17 -0.02 -0.04 1.46 1.60 3m34A1 LYS 229 HD2 0.02 -0.05 0.01 -0.04 1.69 1.62 3m34A1 LYS 229 HD3 0.03 -0.05 -0.02 -0.04 1.68 1.59 3m34A1 LYS 229 HE2 0.02 0.10 -0.07 -0.04 2.99 3.00 3m34A1 LYS 229 HE3 0.01 -0.03 -0.02 -0.04 2.99 2.92 3m34A1 SER 230 H -0.01 0.46 -0.19 -0.55 8.46 8.17 3m34A1 SER 230 HA -0.01 -0.11 0.38 -0.75 4.49 4.01 3m34A1 SER 230 HB2 -0.02 -0.06 0.15 -0.04 3.95 3.99 3m34A1 SER 230 HB3 -0.03 0.25 0.12 -0.04 3.93 4.23 3m34A1 THR 231 H -0.01 0.01 0.17 -0.55 8.28 7.91 3m34A1 THR 231 HA -0.01 0.26 0.87 -0.75 4.39 4.76 3m34A1 THR 231 HB -0.01 -0.01 0.18 -0.04 4.32 4.45 3m34A1 THR 231 HG23 -0.00 0.00 0.02 -0.04 1.22 1.20 3m34A1 LYS 232 H -0.03 0.07 -0.17 -0.55 8.42 7.75 3m34A1 LYS 232 HA -0.06 0.20 0.69 -0.75 4.32 4.40 3m34A1 LYS 232 HB2 -0.01 -0.21 -0.01 -0.04 1.87 1.59 3m34A1 LYS 232 HB3 -0.06 0.26 0.16 -0.04 1.79 2.12 3m34A1 LYS 232 HG2 -0.01 0.15 0.00 -0.04 1.46 1.56 3m34A1 LYS 232 HG3 -0.00 -0.16 -0.33 -0.04 1.46 0.93 3m34A1 LYS 232 HD2 0.03 -0.14 -0.22 -0.04 1.69 1.31 3m34A1 LYS 232 HD3 0.04 0.13 -0.48 -0.04 1.68 1.33 3m34A1 LYS 232 HE2 0.03 0.01 -0.09 -0.04 2.99 2.89 3m34A1 LYS 232 HE3 0.01 0.01 -0.08 -0.04 2.99 2.89 3m34A1 PRO 233 HA -0.14 0.29 0.80 -0.51 4.44 4.88 3m34A1 PRO 233 HB2 -1.30 -0.11 -0.08 -0.04 2.28 0.75 3m34A1 PRO 233 HB3 -0.19 0.08 0.12 -0.04 2.02 1.99 3m34A1 PRO 233 HG2 -0.97 -0.03 -0.11 -0.04 2.03 0.88 3m34A1 PRO 233 HG3 -0.48 0.05 -0.32 -0.04 2.03 1.24 3m34A1 PRO 233 HD2 -0.16 0.26 0.26 -0.04 3.68 4.00 3m34A1 PRO 233 HD3 -0.14 -0.02 -0.04 -0.04 3.65 3.41 3m34A1 CYS 234 H -0.15 0.68 0.39 -0.55 8.50 8.87 3m34A1 CYS 234 HA 0.08 0.28 1.15 -0.75 4.58 5.33 3m34A1 CYS 234 HB2 -0.04 0.13 -0.01 -0.04 2.97 3.01 3m34A1 CYS 234 HB3 -0.08 0.01 0.16 -0.04 2.97 3.03 3m34A1 LEU 235 H 0.09 0.71 0.34 -0.55 8.37 8.97 3m34A1 LEU 235 HA -0.16 0.28 1.06 -0.75 4.35 4.78 3m34A1 LEU 235 HB2 -0.51 0.01 -0.06 -0.04 1.64 1.05 3m34A1 LEU 235 HB3 -0.22 0.00 0.10 -0.04 1.64 1.48 3m34A1 LEU 235 HG -0.27 -0.06 -0.43 -0.04 1.64 0.84 3m34A1 LEU 235 HD13 -0.47 0.04 -0.14 -0.04 0.93 0.31 3m34A1 LEU 235 HD23 -1.05 -0.03 -0.18 -0.04 0.89 -0.40 3m34A1 ILE 236 H -0.12 0.83 0.35 -0.55 8.25 8.76 3m34A1 ILE 236 HA -0.07 0.20 0.88 -0.75 4.18 4.43 3m34A1 ILE 236 HB -0.08 -0.02 0.15 -0.04 1.89 1.89 3m34A1 ILE 236 HG12 -0.05 -0.02 -0.10 -0.04 1.49 1.28 3m34A1 ILE 236 HG13 -0.06 0.05 -0.30 -0.04 1.21 0.86 3m34A1 ILE 236 HG23 -0.08 -0.03 -0.28 -0.04 0.93 0.50 3m34A1 ILE 236 HD13 -0.05 0.02 -0.23 -0.04 0.88 0.58 3m34A1 ILE 237 H -0.07 0.92 0.24 -0.55 8.25 8.79 3m34A1 ILE 237 HA -0.07 0.09 0.88 -0.75 4.18 4.32 3m34A1 ILE 237 HB -0.05 -0.02 0.24 -0.04 1.89 2.02 3m34A1 ILE 237 HG12 0.04 -0.01 -0.12 -0.04 1.49 1.36 3m34A1 ILE 237 HG13 -0.07 0.14 -0.09 -0.04 1.21 1.16 3m34A1 ILE 237 HG23 -0.10 -0.02 -0.13 -0.04 0.93 0.64 3m34A1 ILE 237 HD13 0.04 -0.01 -0.14 -0.04 0.88 0.72 3m34A1 ALA 238 H -0.22 0.79 0.26 -0.55 8.40 8.69 3m34A1 ALA 238 HA -0.15 0.15 0.76 -0.75 4.34 4.35 3m34A1 ALA 238 HB3 -0.17 -0.00 -0.10 -0.04 1.41 1.09 3m34A1 LYS 239 H -0.15 0.76 0.39 -0.55 8.42 8.88 3m34A1 LYS 239 HA -0.18 0.28 0.85 -0.75 4.32 4.52 3m34A1 LYS 239 HB2 -0.10 0.01 0.17 -0.04 1.87 1.90 3m34A1 LYS 239 HB3 -0.09 -0.08 0.30 -0.04 1.79 1.87 3m34A1 LYS 239 HG2 -0.06 -0.06 -0.15 -0.04 1.46 1.15 3m34A1 LYS 239 HG3 -0.08 0.14 0.13 -0.04 1.46 1.61 3m34A1 LYS 239 HD2 -0.04 -0.01 0.01 -0.04 1.69 1.61 3m34A1 LYS 239 HD3 -0.04 -0.04 0.00 -0.04 1.68 1.57 3m34A1 LYS 239 HE2 -0.01 -0.03 -0.06 -0.04 2.99 2.84 3m34A1 LYS 239 HE3 -0.02 0.04 -0.03 -0.04 2.99 2.93 3m34A1 THR 240 H -0.14 0.50 0.22 -0.55 8.28 8.31 3m34A1 THR 240 HA -0.28 0.11 0.80 -0.75 4.39 4.27 3m34A1 THR 240 HB -0.15 0.10 0.07 -0.04 4.32 4.30 3m34A1 THR 240 HG23 -0.33 0.04 -0.27 -0.04 1.22 0.62 3m34A1 THR 241 H 0.65 0.22 0.13 -0.55 8.28 8.73 3m34A1 THR 241 HA 0.05 0.20 0.93 -0.75 4.39 4.81 3m34A1 THR 241 HB -0.00 -0.05 0.11 -0.04 4.32 4.34 3m34A1 THR 241 HG23 -0.01 0.06 -0.17 -0.04 1.22 1.07 3m34A1 ILE 242 H 0.03 0.23 0.11 -0.55 8.25 8.07 3m34A1 ILE 242 HA 0.04 0.07 0.44 -0.75 4.18 3.97 3m34A1 ILE 242 HB 0.05 -0.00 0.03 -0.04 1.89 1.93 3m34A1 ILE 242 HG12 0.06 0.06 -0.17 -0.04 1.49 1.39 3m34A1 ILE 242 HG13 0.07 -0.01 -0.25 -0.04 1.21 0.97 3m34A1 ILE 242 HG23 0.04 0.03 -0.16 -0.04 0.93 0.80 3m34A1 ILE 242 HD13 0.14 0.02 -0.17 -0.04 0.88 0.82 3m34A1 ALA 243 H 0.02 0.45 0.29 -0.55 8.40 8.61 3m34A1 ALA 243 HA -0.02 0.11 0.32 -0.75 4.34 4.00 3m34A1 ALA 243 HB3 -0.00 0.04 -0.09 -0.04 1.41 1.31 3m34A1 LYS 244 H -0.02 0.21 -0.32 -0.55 8.42 7.74 3m34A1 LYS 244 HA -0.12 -0.06 0.31 -0.75 4.32 3.70 3m34A1 LYS 244 HB2 -0.22 0.06 0.13 -0.04 1.87 1.80 3m34A1 LYS 244 HB3 -0.14 0.17 0.01 -0.04 1.79 1.79 3m34A1 LYS 244 HG2 -0.94 -0.00 0.01 -0.04 1.46 0.49 3m34A1 LYS 244 HG3 -0.29 0.05 -0.23 -0.04 1.46 0.94 3m34A1 LYS 244 HD2 -0.23 -0.07 0.06 -0.04 1.69 1.40 3m34A1 LYS 244 HD3 -0.52 -0.06 0.04 -0.04 1.68 1.10 3m34A1 LYS 244 HE2 -0.55 -0.01 0.02 -0.04 2.99 2.40 3m34A1 LYS 244 HE3 -0.24 0.04 -0.00 -0.04 2.99 2.74 3m34A1 GLY 245 H -0.09 0.08 0.17 -0.55 8.43 8.05 3m34A1 GLY 245 HA2 -0.04 0.00 0.38 -0.51 4.01 3.84 3m34A1 GLY 245 HA3 -0.09 0.22 0.70 -0.51 4.01 4.33 3m34A1 ALA 246 H -0.03 0.63 -0.16 -0.55 8.40 8.29 3m34A1 ALA 246 HA 0.03 0.24 0.78 -0.75 4.34 4.64 3m34A1 ALA 246 HB3 -0.00 0.02 0.00 -0.04 1.41 1.39 3m34A1 GLY 247 H -0.01 0.10 -0.38 -0.55 8.43 7.60 3m34A1 GLY 247 HA2 -0.00 0.06 0.28 -0.51 4.01 3.84 3m34A1 GLY 247 HA3 0.00 0.03 0.18 -0.51 4.01 3.71 3m34A1 GLU 248 H -0.00 0.13 0.19 -0.55 8.60 8.37 3m34A1 GLU 248 HA -0.01 0.08 0.36 -0.75 4.29 3.97 3m34A1 GLU 248 HB2 -0.01 0.02 0.10 -0.04 2.09 2.16 3m34A1 GLU 248 HB3 -0.00 -0.02 0.12 -0.04 1.99 2.05 3m34A1 GLU 248 HG2 -0.00 -0.03 0.08 -0.04 2.34 2.34 3m34A1 GLU 248 HG3 -0.01 0.04 0.03 -0.04 2.34 2.37 3m34A1 LEU 249 H -0.01 0.45 -0.22 -0.55 8.37 8.05 3m34A1 LEU 249 HA -0.02 0.12 0.79 -0.75 4.35 4.48 3m34A1 LEU 249 HB2 -0.01 0.13 0.06 -0.04 1.64 1.78 3m34A1 LEU 249 HB3 -0.02 -0.09 0.04 -0.04 1.64 1.53 3m34A1 LEU 249 HG -0.02 -0.06 -0.09 -0.04 1.64 1.43 3m34A1 LEU 249 HD13 -0.02 0.02 0.02 -0.04 0.93 0.92 3m34A1 LEU 249 HD23 -0.04 -0.01 -0.09 -0.04 0.89 0.71 3m34A1 GLU 250 H -0.01 0.43 -0.43 -0.55 8.60 8.04 3m34A1 GLU 250 HA -0.01 0.16 0.34 -0.75 4.29 4.03 3m34A1 GLU 250 HB2 -0.01 0.10 0.01 -0.04 2.09 2.15 3m34A1 GLU 250 HB3 -0.02 -0.06 -0.16 -0.04 1.99 1.71 3m34A1 GLU 250 HG2 -0.04 0.12 -0.06 -0.04 2.34 2.31 3m34A1 GLU 250 HG3 -0.02 0.04 -0.07 -0.04 2.34 2.24 3m34A1 GLY 251 H 0.01 0.61 0.15 -0.55 8.43 8.65 3m34A1 GLY 251 HA2 0.02 -0.12 0.33 -0.51 4.01 3.74 3m34A1 GLY 251 HA3 0.01 0.06 0.40 -0.51 4.01 3.98 3m34A1 SER 252 H 0.00 0.48 -0.35 -0.55 8.46 8.05 3m34A1 SER 252 HA 0.02 0.17 0.77 -0.75 4.49 4.70 3m34A1 SER 252 HB2 -0.04 0.18 -0.06 -0.04 3.95 3.99 3m34A1 SER 252 HB3 -0.05 0.15 0.07 -0.04 3.93 4.06 3m34A1 HIS 253 H 0.11 0.22 0.16 -0.55 8.41 8.36 3m34A1 HIS 253 HA 0.05 0.04 0.34 -0.75 4.63 4.31 3m34A1 HIS 253 HB2 0.01 0.15 0.13 -0.04 3.26 3.51 3m34A1 HIS 253 HB3 0.01 -0.05 0.14 -0.04 3.20 3.25 3m34A1 HIS 253 HD2 0.02 0.04 -0.18 -0.04 6.97 6.81 3m34A1 HIS 253 HE1 0.01 0.02 0.02 -0.04 7.75 7.75 3m34A1 LYS 254 H -0.53 0.07 -0.32 -0.55 8.42 7.09 3m34A1 LYS 254 HA -0.13 0.11 0.44 -0.75 4.32 3.99 3m34A1 LYS 254 HB2 -0.15 0.02 -0.08 -0.04 1.87 1.62 3m34A1 LYS 254 HB3 -0.10 0.08 0.02 -0.04 1.79 1.74 3m34A1 LYS 254 HG2 -0.22 0.03 0.01 -0.04 1.46 1.24 3m34A1 LYS 254 HG3 -0.57 -0.09 0.02 -0.04 1.46 0.78 3m34A1 LYS 254 HD2 -0.10 0.03 -0.03 -0.04 1.69 1.55 3m34A1 LYS 254 HD3 -0.07 0.04 -0.01 -0.04 1.68 1.59 3m34A1 LYS 254 HE2 -0.02 0.01 -0.00 -0.04 2.99 2.93 3m34A1 LYS 254 HE3 -0.08 -0.03 0.00 -0.04 2.99 2.84 3m34A1 SER 255 H -0.03 0.39 -0.42 -0.55 8.46 7.85 3m34A1 SER 255 HA -0.01 0.27 0.66 -0.75 4.49 4.65 3m34A1 SER 255 HB2 0.01 -0.08 0.03 -0.04 3.95 3.86 3m34A1 SER 255 HB3 -0.01 0.09 0.03 -0.04 3.93 4.00 3m34A1 HIS 256 H 0.14 0.47 -0.38 -0.55 8.41 8.10 3m34A1 HIS 256 HA 0.10 -0.13 0.30 -0.75 4.63 4.14 3m34A1 HIS 256 HB2 0.07 -0.08 -0.00 -0.04 3.26 3.21 3m34A1 HIS 256 HB3 0.07 0.22 0.11 -0.04 3.20 3.56 3m34A1 HIS 256 HD2 0.07 0.08 -0.14 -0.04 6.97 6.94 3m34A1 HIS 256 HE1 -0.57 -0.09 -0.01 -0.04 7.75 7.04 3m34A1 GLY 257 H 0.04 0.17 -0.21 -0.55 8.43 7.88 3m34A1 GLY 257 HA2 -0.54 0.17 0.74 -0.51 4.01 3.87 3m34A1 GLY 257 HA3 -0.07 -0.07 0.18 -0.51 4.01 3.55 3m34A1 ALA 258 H -0.06 0.17 0.01 -0.55 8.40 7.97 3m34A1 ALA 258 HA -0.07 0.16 0.70 -0.75 4.34 4.38 3m34A1 ALA 258 HB3 -0.02 0.02 -0.01 -0.04 1.41 1.36 3m34A1 PRO 259 HA 0.00 0.06 0.16 -0.51 4.44 4.15 3m34A1 PRO 259 HB2 0.00 -0.06 -0.07 -0.04 2.28 2.12 3m34A1 PRO 259 HB3 0.01 0.01 -0.07 -0.04 2.02 1.93 3m34A1 PRO 259 HG2 0.01 0.07 -0.09 -0.04 2.03 1.98 3m34A1 PRO 259 HG3 0.02 0.15 -0.25 -0.04 2.03 1.91 3m34A1 PRO 259 HD2 -0.01 0.09 0.11 -0.04 3.68 3.82 3m34A1 PRO 259 HD3 -0.03 0.15 0.02 -0.04 3.65 3.76 3m34A1 LEU 260 H -0.00 0.16 0.10 -0.55 8.37 8.08 3m34A1 LEU 260 HA -0.01 0.13 0.42 -0.75 4.35 4.14 3m34A1 LEU 260 HB2 0.00 0.02 0.05 -0.04 1.64 1.67 3m34A1 LEU 260 HB3 0.00 -0.06 0.03 -0.04 1.64 1.58 3m34A1 LEU 260 HG -0.00 0.03 0.05 -0.04 1.64 1.67 3m34A1 LEU 260 HD13 0.01 0.00 -0.06 -0.04 0.93 0.84 3m34A1 LEU 260 HD23 -0.01 0.00 -0.04 -0.04 0.89 0.81 3m34A1 GLY 261 H 0.00 0.05 -0.25 -0.55 8.43 7.69 3m34A1 GLY 261 HA2 0.00 0.08 0.30 -0.51 4.01 3.88 3m34A1 GLY 261 HA3 -0.00 0.16 0.70 -0.51 4.01 4.36 3m34A1 GLU 262 H 0.00 0.22 0.12 -0.55 8.60 8.40 3m34A1 GLU 262 HA -0.01 0.12 0.34 -0.75 4.29 3.99 3m34A1 GLU 262 HB2 0.00 -0.04 0.15 -0.04 2.09 2.15 3m34A1 GLU 262 HB3 -0.00 0.06 -0.00 -0.04 1.99 2.00 3m34A1 GLU 262 HG2 0.01 0.06 0.04 -0.04 2.34 2.40 3m34A1 GLU 262 HG3 0.01 -0.01 0.08 -0.04 2.34 2.38 3m34A1 GLU 263 H -0.00 0.10 -0.14 -0.55 8.60 8.01 3m34A1 GLU 263 HA -0.01 0.12 0.38 -0.75 4.29 4.02 3m34A1 GLU 263 HB2 -0.00 -0.00 0.09 -0.04 2.09 2.14 3m34A1 GLU 263 HB3 -0.01 0.03 0.01 -0.04 1.99 1.99 3m34A1 GLU 263 HG2 -0.00 -0.04 -0.00 -0.04 2.34 2.25 3m34A1 GLU 263 HG3 -0.00 0.04 0.02 -0.04 2.34 2.35 3m34A1 VAL 264 H -0.00 0.13 -0.28 -0.55 8.24 7.53 3m34A1 VAL 264 HA -0.00 -0.00 0.37 -0.75 4.13 3.75 3m34A1 VAL 264 HB -0.00 0.20 -0.10 -0.04 2.12 2.18 3m34A1 VAL 264 HG13 0.01 -0.00 -0.12 -0.04 0.97 0.82 3m34A1 VAL 264 HG23 -0.01 -0.02 0.04 -0.04 0.95 0.92 3m34A1 ILE 265 H -0.01 0.46 -0.29 -0.55 8.25 7.86 3m34A1 ILE 265 HA 0.03 0.03 0.30 -0.75 4.18 3.78 3m34A1 ILE 265 HB -0.02 0.09 0.07 -0.04 1.89 1.98 3m34A1 ILE 265 HG12 0.04 -0.02 -0.07 -0.04 1.49 1.40 3m34A1 ILE 265 HG13 0.01 0.05 -0.07 -0.04 1.21 1.16 3m34A1 ILE 265 HG23 -0.06 0.01 -0.14 -0.04 0.93 0.70 3m34A1 ILE 265 HD13 -0.01 -0.01 -0.18 -0.04 0.88 0.64 3m34A1 LYS 266 H -0.03 0.48 -0.14 -0.55 8.42 8.17 3m34A1 LYS 266 HA -0.09 0.06 0.47 -0.75 4.32 4.00 3m34A1 LYS 266 HB2 -0.03 0.06 0.21 -0.04 1.87 2.07 3m34A1 LYS 266 HB3 -0.03 -0.07 0.02 -0.04 1.79 1.67 3m34A1 LYS 266 HG2 -0.04 0.12 0.07 -0.04 1.46 1.57 3m34A1 LYS 266 HG3 -0.03 0.10 0.09 -0.04 1.46 1.57 3m34A1 LYS 266 HD2 -0.02 -0.08 -0.05 -0.04 1.69 1.51 3m34A1 LYS 266 HD3 -0.02 -0.05 -0.05 -0.04 1.68 1.52 3m34A1 LYS 266 HE2 -0.02 0.11 -0.01 -0.04 2.99 3.03 3m34A1 LYS 266 HE3 -0.01 -0.10 -0.08 -0.04 2.99 2.75 3m34A1 LYS 267 H -0.02 0.58 -0.06 -0.55 8.42 8.36 3m34A1 LYS 267 HA -0.02 0.00 0.43 -0.75 4.32 3.98 3m34A1 LYS 267 HB2 -0.00 0.09 0.11 -0.04 1.87 2.03 3m34A1 LYS 267 HB3 -0.00 -0.06 0.02 -0.04 1.79 1.70 3m34A1 LYS 267 HG2 -0.01 -0.04 0.04 -0.04 1.46 1.41 3m34A1 LYS 267 HG3 -0.01 0.19 0.08 -0.04 1.46 1.68 3m34A1 LYS 267 HD2 -0.00 -0.03 -0.05 -0.04 1.69 1.57 3m34A1 LYS 267 HD3 -0.00 -0.03 -0.00 -0.04 1.68 1.60 3m34A1 LYS 267 HE2 -0.00 -0.02 -0.01 -0.04 2.99 2.91 3m34A1 LYS 267 HE3 -0.00 0.00 -0.00 -0.04 2.99 2.95 3m34A1 ALA 268 H -0.00 0.52 -0.20 -0.55 8.40 8.17 3m34A1 ALA 268 HA 0.06 0.01 0.59 -0.75 4.34 4.25 3m34A1 ALA 268 HB3 0.18 0.00 0.09 -0.04 1.41 1.63 3m34A1 LYS 269 H -0.22 0.63 -0.07 -0.55 8.42 8.21 3m34A1 LYS 269 HA -0.77 -0.02 0.46 -0.75 4.32 3.24 3m34A1 LYS 269 HB2 -0.26 0.11 0.12 -0.04 1.87 1.80 3m34A1 LYS 269 HB3 -0.24 0.00 -0.36 -0.04 1.79 1.15 3m34A1 LYS 269 HG2 -1.43 -0.08 -0.06 -0.04 1.46 -0.15 3m34A1 LYS 269 HG3 -1.13 0.03 0.00 -0.04 1.46 0.32 3m34A1 LYS 269 HD2 -0.24 0.01 -0.10 -0.04 1.69 1.31 3m34A1 LYS 269 HD3 -0.22 0.11 -0.13 -0.04 1.68 1.40 3m34A1 LYS 269 HE2 -0.22 -0.07 -0.01 -0.04 2.99 2.65 3m34A1 LYS 269 HE3 -0.25 -0.06 -0.02 -0.04 2.99 2.62 3m34A1 GLU 270 H -0.07 0.55 -0.07 -0.55 8.60 8.47 3m34A1 GLU 270 HA -0.00 0.06 0.45 -0.75 4.29 4.05 3m34A1 GLU 270 HB2 -0.01 0.12 0.23 -0.04 2.09 2.39 3m34A1 GLU 270 HB3 -0.00 -0.07 0.05 -0.04 1.99 1.93 3m34A1 GLU 270 HG2 -0.02 -0.03 0.10 -0.04 2.34 2.34 3m34A1 GLU 270 HG3 -0.03 0.30 0.11 -0.04 2.34 2.67 3m34A1 GLN 271 H 0.02 0.53 -0.10 -0.55 8.47 8.37 3m34A1 GLN 271 HA 0.04 -0.01 0.38 -0.75 4.36 4.02 3m34A1 GLN 271 HB2 0.06 0.16 0.19 -0.04 2.15 2.51 3m34A1 GLN 271 HB3 0.04 -0.09 0.09 -0.04 2.02 2.03 3m34A1 GLN 271 HG2 0.02 0.25 0.14 -0.04 2.40 2.76 3m34A1 GLN 271 HG3 0.02 -0.10 0.05 -0.04 2.39 2.31 3m34A1 GLN 271 HE21 0.01 -0.04 -0.02 -0.04 6.97 6.88 3m34A1 GLN 271 HE22 0.01 0.03 -0.01 -0.04 7.69 7.69 3m34A1 ALA 272 H 0.11 0.39 -0.33 -0.55 8.40 8.03 3m34A1 ALA 272 HA 0.16 0.06 0.68 -0.75 4.34 4.48 3m34A1 ALA 272 HB3 0.29 -0.02 0.12 -0.04 1.41 1.77 3m34A1 GLY 273 H 0.12 0.47 -0.18 -0.55 8.43 8.30 3m34A1 GLY 273 HA2 0.07 0.00 0.31 -0.51 4.01 3.88 3m34A1 GLY 273 HA3 0.11 0.03 0.54 -0.51 4.01 4.19 3m34A1 PHE 274 H 0.32 0.41 -0.12 -0.55 8.34 8.40 3m34A1 PHE 274 HA -0.02 0.08 0.75 -0.75 4.62 4.67 3m34A1 PHE 274 HB2 -0.28 -0.00 0.01 -0.04 3.15 2.84 3m34A1 PHE 274 HB3 -0.17 0.04 -0.11 -0.04 3.06 2.78 3m34A1 PHE 274 HD2 0.14 0.03 -0.22 -0.04 7.28 7.19 3m34A1 PHE 274 HE2 0.23 0.05 -0.05 -0.04 7.38 7.58 3m34A1 PHE 274 HZ 0.20 0.03 -0.07 -0.04 7.32 7.44 3m34A1 ASP 275 H -0.10 0.10 0.07 -0.55 8.40 7.93 3m34A1 ASP 275 HA -0.04 0.15 0.55 -0.75 4.63 4.54 3m34A1 ASP 275 HB2 -0.12 0.04 0.09 -0.04 2.71 2.68 3m34A1 ASP 275 HB3 -0.14 -0.01 0.15 -0.04 2.70 2.66 3m34A1 PRO 276 HA -0.10 0.12 0.37 -0.51 4.44 4.32 3m34A1 PRO 276 HB2 -0.04 -0.01 -0.05 -0.04 2.28 2.13 3m34A1 PRO 276 HB3 -0.06 0.11 0.20 -0.04 2.02 2.23 3m34A1 PRO 276 HG2 -0.03 -0.01 0.05 -0.04 2.03 2.00 3m34A1 PRO 276 HG3 -0.04 0.06 0.09 -0.04 2.03 2.10 3m34A1 PRO 276 HD2 -0.04 0.02 0.22 -0.04 3.68 3.83 3m34A1 PRO 276 HD3 -0.03 0.41 0.27 -0.04 3.65 4.25 3m34A1 ASN 277 H -0.04 0.03 -0.47 -0.55 8.53 7.50 3m34A1 ASN 277 HA -0.02 0.17 0.62 -0.75 4.76 4.78 3m34A1 ASN 277 HB2 -0.02 -0.02 -0.02 -0.04 2.88 2.77 3m34A1 ASN 277 HB3 -0.01 0.01 0.11 -0.04 2.79 2.86 3m34A1 ASN 277 HD21 -0.02 -0.00 -0.03 -0.04 7.03 6.94 3m34A1 ASN 277 HD22 -0.02 0.00 -0.02 -0.04 7.74 7.66 3m34A1 ILE 278 H -0.03 0.40 -0.27 -0.55 8.25 7.79 3m34A1 ILE 278 HA 0.03 0.18 0.90 -0.75 4.18 4.54 3m34A1 ILE 278 HB 0.05 0.08 0.01 -0.04 1.89 1.99 3m34A1 ILE 278 HG12 -0.08 0.08 0.05 -0.04 1.49 1.50 3m34A1 ILE 278 HG13 -0.03 -0.01 -0.15 -0.04 1.21 0.98 3m34A1 ILE 278 HG23 -0.02 -0.02 -0.17 -0.04 0.93 0.67 3m34A1 ILE 278 HD13 -0.29 -0.02 -0.04 -0.04 0.88 0.49 3m34A1 SER 279 H 0.10 0.18 0.09 -0.55 8.46 8.28 3m34A1 SER 279 HA 0.01 0.20 0.86 -0.75 4.49 4.80 3m34A1 SER 279 HB2 -0.04 0.01 0.11 -0.04 3.95 3.98 3m34A1 SER 279 HB3 0.04 0.03 -0.07 -0.04 3.93 3.89 3m34A1 PHE 280 H -0.27 0.19 0.10 -0.55 8.34 7.80 3m34A1 PHE 280 HA 0.07 0.07 0.27 -0.75 4.62 4.29 3m34A1 PHE 280 HB2 0.04 0.12 -0.20 -0.04 3.15 3.08 3m34A1 PHE 280 HB3 0.02 -0.02 0.15 -0.04 3.06 3.17 3m34A1 PHE 280 HD2 0.00 -0.05 -0.12 -0.04 7.28 7.07 3m34A1 PHE 280 HE2 -0.00 0.05 -0.11 -0.04 7.38 7.28 3m34A1 PHE 280 HZ 0.02 0.12 -0.06 -0.04 7.32 7.36 3m34A1 HIS 281 H 0.24 0.06 -0.29 -0.55 8.41 7.88 3m34A1 HIS 281 HA 0.13 0.13 0.59 -0.75 4.63 4.72 3m34A1 HIS 281 HB2 0.11 0.02 -0.19 -0.04 3.26 3.16 3m34A1 HIS 281 HB3 0.23 -0.00 -0.04 -0.04 3.20 3.34 3m34A1 HIS 281 HD2 -0.13 0.00 -0.17 -0.04 6.97 6.62 3m34A1 HIS 281 HE1 -0.01 -0.01 -0.07 -0.04 7.75 7.62 3m34A1 ILE 282 H -0.25 0.22 0.07 -0.55 8.25 7.73 3m34A1 ILE 282 HA 0.01 0.22 0.90 -0.75 4.18 4.56 3m34A1 ILE 282 HB 0.00 -0.03 0.12 -0.04 1.89 1.94 3m34A1 ILE 282 HG12 0.12 0.06 -0.17 -0.04 1.49 1.46 3m34A1 ILE 282 HG13 0.11 -0.03 -0.52 -0.04 1.21 0.73 3m34A1 ILE 282 HG23 0.07 0.02 -0.09 -0.04 0.93 0.89 3m34A1 ILE 282 HD13 0.22 0.01 -0.08 -0.04 0.88 0.99 3m34A1 PRO 283 HA -0.14 0.07 0.54 -0.51 4.44 4.40 3m34A1 PRO 283 HB2 -0.01 -0.19 -0.02 -0.04 2.28 2.03 3m34A1 PRO 283 HB3 -0.06 0.07 0.10 -0.04 2.02 2.09 3m34A1 PRO 283 HG2 0.10 0.07 0.04 -0.04 2.03 2.20 3m34A1 PRO 283 HG3 -0.28 0.10 0.01 -0.04 2.03 1.81 3m34A1 PRO 283 HD2 0.15 0.11 0.17 -0.04 3.68 4.07 3m34A1 PRO 283 HD3 0.10 0.28 -0.11 -0.04 3.65 3.88 3m34A1 GLN 284 H -0.01 0.16 0.19 -0.55 8.47 8.25 3m34A1 GLN 284 HA -0.01 0.16 0.39 -0.75 4.36 4.15 3m34A1 GLN 284 HB2 0.00 -0.04 0.20 -0.04 2.15 2.27 3m34A1 GLN 284 HB3 0.00 0.04 -0.00 -0.04 2.02 2.02 3m34A1 GLN 284 HG2 0.00 0.04 0.09 -0.04 2.40 2.50 3m34A1 GLN 284 HG3 0.01 0.01 0.06 -0.04 2.39 2.44 3m34A1 GLN 284 HE21 -0.00 0.03 0.00 -0.04 6.97 6.97 3m34A1 GLN 284 HE22 0.00 -0.02 -0.00 -0.04 7.69 7.62 3m34A1 ALA 285 H -0.00 0.08 -0.10 -0.55 8.40 7.84 3m34A1 ALA 285 HA -0.00 0.11 0.31 -0.75 4.34 4.00 3m34A1 ALA 285 HB3 -0.00 0.01 0.04 -0.04 1.41 1.42 3m34A1 SER 286 H 0.03 0.04 -0.26 -0.55 8.46 7.73 3m34A1 SER 286 HA -0.03 0.05 0.46 -0.75 4.49 4.21 3m34A1 SER 286 HB2 0.13 0.07 0.02 -0.04 3.95 4.13 3m34A1 SER 286 HB3 0.29 0.07 -0.05 -0.04 3.93 4.20 3m34A1 LYS 287 H 0.06 0.52 -0.22 -0.55 8.42 8.22 3m34A1 LYS 287 HA 0.12 0.08 0.38 -0.75 4.32 4.14 3m34A1 LYS 287 HB2 0.03 0.00 -0.01 -0.04 1.87 1.85 3m34A1 LYS 287 HB3 0.02 0.04 0.12 -0.04 1.79 1.93 3m34A1 LYS 287 HG2 0.00 0.00 -0.18 -0.04 1.46 1.24 3m34A1 LYS 287 HG3 0.00 0.04 0.02 -0.04 1.46 1.48 3m34A1 LYS 287 HD2 0.02 -0.00 -0.01 -0.04 1.69 1.65 3m34A1 LYS 287 HD3 0.00 -0.04 -0.02 -0.04 1.68 1.58 3m34A1 LYS 287 HE2 0.01 -0.04 -0.01 -0.04 2.99 2.91 3m34A1 LYS 287 HE3 -0.00 -0.02 -0.03 -0.04 2.99 2.90 3m34A1 ILE 288 H 0.01 0.46 -0.15 -0.55 8.25 8.02 3m34A1 ILE 288 HA -0.00 0.05 0.27 -0.75 4.18 3.73 3m34A1 ILE 288 HB -0.01 0.05 0.16 -0.04 1.89 2.05 3m34A1 ILE 288 HG12 -0.01 -0.01 0.02 -0.04 1.49 1.44 3m34A1 ILE 288 HG13 -0.00 0.03 0.07 -0.04 1.21 1.26 3m34A1 ILE 288 HG23 -0.01 -0.01 -0.08 -0.04 0.93 0.78 3m34A1 ILE 288 HD13 -0.00 -0.03 -0.04 -0.04 0.88 0.76 3m34A1 ARG 289 H -0.02 0.41 -0.15 -0.55 8.46 8.14 3m34A1 ARG 289 HA -0.07 0.01 0.36 -0.75 4.34 3.89 3m34A1 ARG 289 HB2 -0.07 -0.02 0.12 -0.04 1.90 1.89 3m34A1 ARG 289 HB3 -0.18 0.02 0.19 -0.04 1.80 1.78 3m34A1 ARG 289 HG2 -0.06 -0.09 -0.04 -0.04 1.67 1.44 3m34A1 ARG 289 HG3 -0.34 0.07 -0.17 -0.04 1.67 1.18 3m34A1 ARG 289 HD2 -0.02 0.02 -0.02 -0.04 3.22 3.16 3m34A1 ARG 289 HD3 -0.12 0.03 0.08 -0.04 3.22 3.17 3m34A1 PHE 290 H 0.01 0.66 0.02 -0.55 8.34 8.47 3m34A1 PHE 290 HA -0.04 0.01 0.38 -0.75 4.62 4.22 3m34A1 PHE 290 HB2 -0.01 0.10 0.11 -0.04 3.15 3.30 3m34A1 PHE 290 HB3 -0.03 0.04 -0.36 -0.04 3.06 2.68 3m34A1 PHE 290 HD2 0.11 0.06 -0.04 -0.04 7.28 7.37 3m34A1 PHE 290 HE2 0.16 -0.01 0.00 -0.04 7.38 7.49 3m34A1 PHE 290 HZ 0.13 -0.05 -0.11 -0.04 7.32 7.25 3m34A1 GLU 291 H 0.07 0.44 -0.20 -0.55 8.60 8.36 3m34A1 GLU 291 HA -0.03 0.18 0.49 -0.75 4.29 4.17 3m34A1 GLU 291 HB2 -0.06 -0.11 0.11 -0.04 2.09 2.00 3m34A1 GLU 291 HB3 -0.03 0.14 0.15 -0.04 1.99 2.21 3m34A1 GLU 291 HG2 -0.01 0.19 0.16 -0.04 2.34 2.64 3m34A1 GLU 291 HG3 -0.03 -0.11 -0.13 -0.04 2.34 2.03 3m34A1 SER 292 H -0.03 0.41 -0.34 -0.55 8.46 7.96 3m34A1 SER 292 HA -0.05 -0.08 0.61 -0.75 4.49 4.22 3m34A1 SER 292 HB2 -0.04 -0.14 0.16 -0.04 3.95 3.89 3m34A1 SER 292 HB3 -0.04 0.09 0.20 -0.04 3.93 4.13 3m34A1 ALA 293 H -0.04 0.50 -0.34 -0.55 8.40 7.97 3m34A1 ALA 293 HA -0.08 -0.00 0.51 -0.75 4.34 4.00 3m34A1 ALA 293 HB3 -0.15 0.08 0.15 -0.04 1.41 1.45 3m34A1 VAL 294 H -0.11 0.59 -0.18 -0.55 8.24 7.99 3m34A1 VAL 294 HA -0.19 0.02 0.61 -0.75 4.13 3.81 3m34A1 VAL 294 HB -0.10 0.04 0.21 -0.04 2.12 2.24 3m34A1 VAL 294 HG13 -0.11 -0.04 -0.07 -0.04 0.97 0.72 3m34A1 VAL 294 HG23 -0.15 0.04 0.15 -0.04 0.95 0.96 3m34A1 GLU 295 H -0.08 0.22 0.03 -0.55 8.60 8.23 3m34A1 GLU 295 HA -0.08 0.03 0.56 -0.75 4.29 4.05 3m34A1 GLU 295 HB2 -0.05 -0.02 0.14 -0.04 2.09 2.12 3m34A1 GLU 295 HB3 -0.05 0.10 0.20 -0.04 1.99 2.19 3m34A1 GLU 295 HG2 -0.04 0.03 -0.28 -0.04 2.34 2.01 3m34A1 GLU 295 HG3 -0.05 -0.04 0.05 -0.04 2.34 2.26 3m34A1 LEU 296 H -0.07 0.62 -0.00 -0.55 8.37 8.38 3m34A1 LEU 296 HA -0.04 -0.02 0.47 -0.75 4.35 4.01 3m34A1 LEU 296 HB2 -0.04 0.12 0.16 -0.04 1.64 1.83 3m34A1 LEU 296 HB3 -0.00 0.01 0.04 -0.04 1.64 1.65 3m34A1 LEU 296 HG -0.03 -0.04 0.08 -0.04 1.64 1.61 3m34A1 LEU 296 HD13 -0.02 0.01 -0.05 -0.04 0.93 0.83 3m34A1 LEU 296 HD23 -0.00 -0.02 0.02 -0.04 0.89 0.85 3m34A1 GLY 297 H -0.12 0.64 -0.08 -0.55 8.43 8.32 3m34A1 GLY 297 HA2 -0.07 -0.02 0.52 -0.51 4.01 3.94 3m34A1 GLY 297 HA3 -0.16 0.27 0.56 -0.51 4.01 4.17 3m34A1 ASP 298 H -0.15 0.57 -0.09 -0.55 8.40 8.19 3m34A1 ASP 298 HA -0.21 -0.00 0.54 -0.75 4.63 4.21 3m34A1 ASP 298 HB2 -0.13 0.04 0.17 -0.04 2.71 2.75 3m34A1 ASP 298 HB3 -0.10 0.13 0.22 -0.04 2.70 2.90 3m34A1 LEU 299 H -0.10 0.49 -0.19 -0.55 8.37 8.02 3m34A1 LEU 299 HA -0.07 -0.01 0.44 -0.75 4.35 3.96 3m34A1 LEU 299 HB2 -0.05 0.00 0.13 -0.04 1.64 1.68 3m34A1 LEU 299 HB3 -0.04 0.13 0.20 -0.04 1.64 1.89 3m34A1 LEU 299 HG -0.01 0.01 -0.20 -0.04 1.64 1.39 3m34A1 LEU 299 HD13 -0.02 -0.02 0.05 -0.04 0.93 0.89 3m34A1 LEU 299 HD23 -0.00 -0.01 -0.01 -0.04 0.89 0.83 3m34A1 GLU 300 H -0.10 0.59 -0.03 -0.55 8.60 8.52 3m34A1 GLU 300 HA 0.03 -0.01 0.43 -0.75 4.29 3.98 3m34A1 GLU 300 HB2 -0.04 0.07 0.14 -0.04 2.09 2.23 3m34A1 GLU 300 HB3 0.27 -0.00 -0.03 -0.04 1.99 2.18 3m34A1 GLU 300 HG2 0.05 0.12 0.11 -0.04 2.34 2.58 3m34A1 GLU 300 HG3 0.15 0.01 0.01 -0.04 2.34 2.47 3m34A1 GLU 301 H -0.60 0.66 -0.14 -0.55 8.60 7.98 3m34A1 GLU 301 HA -1.16 0.03 0.48 -0.75 4.29 2.90 3m34A1 GLU 301 HB2 -1.60 0.02 0.10 -0.04 2.09 0.57 3m34A1 GLU 301 HB3 -0.58 0.08 0.14 -0.04 1.99 1.58 3m34A1 GLU 301 HG2 -0.32 -0.02 -0.13 -0.04 2.34 1.83 3m34A1 GLU 301 HG3 -1.02 -0.05 0.09 -0.04 2.34 1.32 3m34A1 ALA 302 H -0.19 0.54 -0.22 -0.55 8.40 7.99 3m34A1 ALA 302 HA -0.05 -0.03 0.42 -0.75 4.34 3.93 3m34A1 ALA 302 HB3 -0.06 0.02 0.13 -0.04 1.41 1.46 3m34A1 LYS 303 H -0.01 0.55 -0.10 -0.55 8.42 8.31 3m34A1 LYS 303 HA 0.03 -0.03 0.47 -0.75 4.32 4.04 3m34A1 LYS 303 HB2 0.11 0.17 0.15 -0.04 1.87 2.25 3m34A1 LYS 303 HB3 0.09 -0.05 0.02 -0.04 1.79 1.81 3m34A1 LYS 303 HG2 0.02 -0.09 0.04 -0.04 1.46 1.39 3m34A1 LYS 303 HG3 0.01 0.23 0.08 -0.04 1.46 1.74 3m34A1 LYS 303 HD2 0.06 0.03 -0.04 -0.04 1.69 1.70 3m34A1 LYS 303 HD3 0.06 -0.03 -0.01 -0.04 1.68 1.66 3m34A1 LYS 303 HE2 0.02 -0.05 -0.02 -0.04 2.99 2.90 3m34A1 LYS 303 HE3 0.01 -0.01 -0.07 -0.04 2.99 2.89 3m34A1 TRP 304 H 0.27 0.55 -0.14 -0.55 7.97 8.09 3m34A1 TRP 304 HA 0.13 0.05 0.56 -0.75 4.62 4.61 3m34A1 TRP 304 HB2 0.41 0.07 0.11 -0.04 3.23 3.78 3m34A1 TRP 304 HB3 0.16 0.07 0.19 -0.04 3.23 3.61 3m34A1 TRP 304 HD1 0.24 0.03 0.02 -0.04 7.22 7.47 3m34A1 TRP 304 HE1 0.12 0.57 0.19 -0.04 10.20 11.05 3m34A1 TRP 304 HE3 0.19 0.05 -0.10 -0.04 7.59 7.69 3m34A1 TRP 304 HZ2 0.09 0.09 -0.04 -0.04 7.44 7.53 3m34A1 TRP 304 HZ3 0.17 -0.00 -0.01 -0.04 7.13 7.25 3m34A1 TRP 304 HH2 0.11 0.04 -0.01 -0.04 7.19 7.29 3m34A1 LYS 305 H 0.21 0.66 -0.02 -0.55 8.42 8.72 3m34A1 LYS 305 HA -0.19 0.01 0.52 -0.75 4.32 3.90 3m34A1 LYS 305 HB2 0.03 0.13 0.19 -0.04 1.87 2.18 3m34A1 LYS 305 HB3 0.00 -0.07 0.06 -0.04 1.79 1.74 3m34A1 LYS 305 HG2 0.30 -0.04 0.06 -0.04 1.46 1.74 3m34A1 LYS 305 HG3 0.21 0.21 0.07 -0.04 1.46 1.91 3m34A1 LYS 305 HD2 0.05 -0.04 0.01 -0.04 1.69 1.67 3m34A1 LYS 305 HD3 0.10 -0.01 -0.00 -0.04 1.68 1.72 3m34A1 LYS 305 HE2 -0.04 0.02 -0.16 -0.04 2.99 2.77 3m34A1 LYS 305 HE3 -0.01 -0.01 -0.01 -0.04 2.99 2.92 3m34A1 ASP 306 H -0.02 0.51 -0.24 -0.55 8.40 8.09 3m34A1 ASP 306 HA -0.06 -0.01 0.57 -0.75 4.63 4.37 3m34A1 ASP 306 HB2 -0.02 0.22 0.19 -0.04 2.71 3.05 3m34A1 ASP 306 HB3 -0.03 -0.08 0.03 -0.04 2.70 2.58 3m34A1 LYS 307 H -0.12 0.45 -0.09 -0.55 8.42 8.10 3m34A1 LYS 307 HA -0.10 -0.04 0.51 -0.75 4.32 3.94 3m34A1 LYS 307 HB2 -0.27 0.17 0.20 -0.04 1.87 1.92 3m34A1 LYS 307 HB3 -0.13 -0.04 -0.02 -0.04 1.79 1.56 3m34A1 LYS 307 HG2 -0.02 -0.12 0.05 -0.04 1.46 1.33 3m34A1 LYS 307 HG3 -0.00 0.13 0.10 -0.04 1.46 1.65 3m34A1 LYS 307 HD2 0.10 -0.08 -0.01 -0.04 1.69 1.65 3m34A1 LYS 307 HD3 0.10 0.16 0.07 -0.04 1.68 1.96 3m34A1 LYS 307 HE2 0.02 -0.04 0.05 -0.04 2.99 2.99 3m34A1 LYS 307 HE3 0.03 -0.12 0.02 -0.04 2.99 2.88 3m34A1 LEU 308 H -0.50 0.61 -0.08 -0.55 8.37 7.84 3m34A1 LEU 308 HA -0.33 0.00 0.45 -0.75 4.35 3.72 3m34A1 LEU 308 HB2 -1.06 0.04 0.10 -0.04 1.64 0.68 3m34A1 LEU 308 HB3 -0.40 0.11 0.18 -0.04 1.64 1.48 3m34A1 LEU 308 HG -0.16 -0.03 -0.19 -0.04 1.64 1.21 3m34A1 LEU 308 HD13 -0.16 -0.01 -0.00 -0.04 0.93 0.71 3m34A1 LEU 308 HD23 -0.15 -0.00 -0.01 -0.04 0.89 0.69 3m34A1 GLU 309 H -0.16 0.56 -0.12 -0.55 8.60 8.33 3m34A1 GLU 309 HA -0.07 -0.02 0.44 -0.75 4.29 3.89 3m34A1 GLU 309 HB2 -0.07 0.06 0.16 -0.04 2.09 2.20 3m34A1 GLU 309 HB3 -0.06 0.11 0.14 -0.04 1.99 2.13 3m34A1 GLU 309 HG2 -0.04 -0.06 0.02 -0.04 2.34 2.22 3m34A1 GLU 309 HG3 -0.04 -0.01 -0.04 -0.04 2.34 2.20 3m34A1 LYS 310 H -0.09 0.36 -0.33 -0.55 8.42 7.80 3m34A1 LYS 310 HA -0.04 0.03 0.57 -0.75 4.32 4.12 3m34A1 LYS 310 HB2 -0.06 0.14 0.12 -0.04 1.87 2.03 3m34A1 LYS 310 HB3 -0.04 -0.10 0.10 -0.04 1.79 1.71 3m34A1 LYS 310 HG2 -0.03 -0.08 0.05 -0.04 1.46 1.36 3m34A1 LYS 310 HG3 -0.04 0.02 -0.00 -0.04 1.46 1.40 3m34A1 LYS 310 HD2 -0.02 -0.08 0.00 -0.04 1.69 1.55 3m34A1 LYS 310 HD3 -0.03 0.08 -0.02 -0.04 1.68 1.66 3m34A1 LYS 310 HE2 -0.03 0.06 0.01 -0.04 2.99 3.00 3m34A1 LYS 310 HE3 -0.02 -0.05 0.02 -0.04 2.99 2.91 3m34A1 SER 311 H -0.09 0.47 -0.40 -0.55 8.46 7.90 3m34A1 SER 311 HA -0.04 0.02 0.38 -0.75 4.49 4.09 3m34A1 SER 311 HB2 -0.10 0.18 0.12 -0.04 3.95 4.11 3m34A1 SER 311 HB3 -0.08 0.11 0.15 -0.04 3.93 4.07 3m34A1 ALA 312 H -0.02 0.17 0.22 -0.55 8.40 8.22 3m34A1 ALA 312 HA -0.02 0.11 0.55 -0.75 4.34 4.23 3m34A1 ALA 312 HB3 -0.01 0.01 0.16 -0.04 1.41 1.54 3m34A1 LYS 313 H -0.02 0.12 -0.52 -0.55 8.42 7.44 3m34A1 LYS 313 HA 0.00 0.14 0.64 -0.75 4.32 4.35 3m34A1 LYS 313 HB2 0.00 0.06 0.08 -0.04 1.87 1.98 3m34A1 LYS 313 HB3 0.02 0.02 0.17 -0.04 1.79 1.96 3m34A1 LYS 313 HG2 0.00 -0.18 -0.05 -0.04 1.46 1.19 3m34A1 LYS 313 HG3 0.02 0.18 0.07 -0.04 1.46 1.69 3m34A1 LYS 313 HD2 0.02 0.06 0.07 -0.04 1.69 1.79 3m34A1 LYS 313 HD3 0.01 -0.06 -0.21 -0.04 1.68 1.37 3m34A1 LYS 313 HE2 0.01 -0.13 -0.04 -0.04 2.99 2.79 3m34A1 LYS 313 HE3 0.02 0.31 0.02 -0.04 2.99 3.30 3m34A1 LYS 314 H -0.02 0.33 -0.23 -0.55 8.42 7.94 3m34A1 LYS 314 HA -0.02 0.09 0.38 -0.75 4.32 4.02 3m34A1 LYS 314 HB2 -0.03 0.17 0.13 -0.04 1.87 2.09 3m34A1 LYS 314 HB3 -0.02 -0.05 -0.08 -0.04 1.79 1.60 3m34A1 LYS 314 HG2 -0.04 -0.08 -0.01 -0.04 1.46 1.30 3m34A1 LYS 314 HG3 -0.07 0.32 0.02 -0.04 1.46 1.69 3m34A1 LYS 314 HD2 -0.03 -0.09 -0.02 -0.04 1.69 1.51 3m34A1 LYS 314 HD3 -0.05 -0.00 0.02 -0.04 1.68 1.61 3m34A1 LYS 314 HE2 -0.02 -0.11 0.01 -0.04 2.99 2.83 3m34A1 LYS 314 HE3 -0.03 -0.08 0.04 -0.04 2.99 2.88 3m34A1 GLU 315 H -0.01 0.17 -0.09 -0.55 8.60 8.12 3m34A1 GLU 315 HA 0.00 0.10 0.49 -0.75 4.29 4.12 3m34A1 GLU 315 HB2 -0.00 0.03 0.08 -0.04 2.09 2.16 3m34A1 GLU 315 HB3 -0.00 0.03 -0.01 -0.04 1.99 1.97 3m34A1 GLU 315 HG2 -0.00 0.01 0.02 -0.04 2.34 2.33 3m34A1 GLU 315 HG3 -0.01 0.01 0.04 -0.04 2.34 2.35 3m34A1 LEU 316 H 0.01 0.10 -0.25 -0.55 8.37 7.68 3m34A1 LEU 316 HA 0.01 0.03 0.44 -0.75 4.35 4.08 3m34A1 LEU 316 HB2 0.02 -0.04 0.11 -0.04 1.64 1.69 3m34A1 LEU 316 HB3 0.02 0.12 0.15 -0.04 1.64 1.89 3m34A1 LEU 316 HG 0.03 0.04 -0.27 -0.04 1.64 1.40 3m34A1 LEU 316 HD13 0.03 -0.02 0.01 -0.04 0.93 0.92 3m34A1 LEU 316 HD23 0.03 0.01 -0.01 -0.04 0.89 0.88 3m34A1 LEU 317 H 0.02 0.52 -0.12 -0.55 8.37 8.25 3m34A1 LEU 317 HA 0.04 0.06 0.30 -0.75 4.35 4.00 3m34A1 LEU 317 HB2 0.07 0.02 0.07 -0.04 1.64 1.77 3m34A1 LEU 317 HB3 0.05 0.06 0.12 -0.04 1.64 1.83 3m34A1 LEU 317 HG 0.10 -0.01 -0.19 -0.04 1.64 1.50 3m34A1 LEU 317 HD13 0.10 0.00 0.00 -0.04 0.93 1.00 3m34A1 LEU 317 HD23 0.22 -0.01 -0.03 -0.04 0.89 1.03 3m34A1 GLU 318 H 0.02 0.39 -0.24 -0.55 8.60 8.22 3m34A1 GLU 318 HA 0.03 0.04 0.46 -0.75 4.29 4.06 3m34A1 GLU 318 HB2 0.01 0.03 0.19 -0.04 2.09 2.28 3m34A1 GLU 318 HB3 0.01 -0.04 0.01 -0.04 1.99 1.93 3m34A1 GLU 318 HG2 0.02 0.05 0.04 -0.04 2.34 2.41 3m34A1 GLU 318 HG3 0.01 -0.08 0.02 -0.04 2.34 2.25 3m34A1 ARG 319 H 0.01 0.44 -0.15 -0.55 8.46 8.20 3m34A1 ARG 319 HA -0.01 0.07 0.46 -0.75 4.34 4.11 3m34A1 ARG 319 HB2 0.01 0.10 0.15 -0.04 1.90 2.11 3m34A1 ARG 319 HB3 -0.00 -0.06 0.01 -0.04 1.80 1.71 3m34A1 ARG 319 HG2 -0.01 -0.04 0.03 -0.04 1.67 1.60 3m34A1 ARG 319 HG3 0.00 0.15 0.05 -0.04 1.67 1.83 3m34A1 ARG 319 HD2 -0.01 0.01 0.03 -0.04 3.22 3.21 3m34A1 ARG 319 HD3 -0.01 -0.08 -0.00 -0.04 3.22 3.09 3m34A1 LEU 320 H 0.02 0.59 -0.08 -0.55 8.37 8.35 3m34A1 LEU 320 HA 0.03 -0.06 0.48 -0.75 4.35 4.05 3m34A1 LEU 320 HB2 0.01 0.07 0.14 -0.04 1.64 1.81 3m34A1 LEU 320 HB3 -0.03 0.06 0.06 -0.04 1.64 1.68 3m34A1 LEU 320 HG 0.02 0.06 0.01 -0.04 1.64 1.69 3m34A1 LEU 320 HD13 -0.01 -0.03 -0.11 -0.04 0.93 0.74 3m34A1 LEU 320 HD23 0.03 0.01 -0.10 -0.04 0.89 0.79 3m34A1 LEU 321 H 0.02 0.47 -0.19 -0.55 8.37 8.12 3m34A1 LEU 321 HA 0.04 0.20 0.72 -0.75 4.35 4.55 3m34A1 LEU 321 HB2 0.04 0.00 0.10 -0.04 1.64 1.74 3m34A1 LEU 321 HB3 0.04 -0.09 0.10 -0.04 1.64 1.65 3m34A1 LEU 321 HG 0.05 0.06 0.03 -0.04 1.64 1.73 3m34A1 LEU 321 HD13 0.08 -0.06 -0.05 -0.04 0.93 0.87 3m34A1 LEU 321 HD23 0.05 0.03 0.05 -0.04 0.89 0.97 3m34A1 ASN 322 H -0.00 0.26 -0.50 -0.55 8.53 7.74 3m34A1 ASN 322 HA -0.02 0.15 0.82 -0.75 4.76 4.95 3m34A1 ASN 322 HB2 -0.02 0.07 0.18 -0.04 2.88 3.07 3m34A1 ASN 322 HB3 -0.03 -0.12 0.11 -0.04 2.79 2.71 3m34A1 ASN 322 HD21 0.02 -0.09 -0.06 -0.04 7.03 6.86 3m34A1 ASN 322 HD22 0.01 0.31 0.06 -0.04 7.74 8.08 3m34A1 PRO 323 HA -0.15 0.04 0.50 -0.51 4.44 4.32 3m34A1 PRO 323 HB2 -0.67 -0.09 -0.11 -0.04 2.28 1.37 3m34A1 PRO 323 HB3 -0.06 0.03 0.05 -0.04 2.02 2.00 3m34A1 PRO 323 HG2 -0.33 -0.05 0.02 -0.04 2.03 1.63 3m34A1 PRO 323 HG3 0.09 0.11 -0.03 -0.04 2.03 2.16 3m34A1 PRO 323 HD2 -0.04 0.14 -0.06 -0.04 3.68 3.68 3m34A1 PRO 323 HD3 -0.00 0.36 -0.37 -0.04 3.65 3.60 3m34A1 ASP 324 H -0.18 0.19 0.15 -0.55 8.40 8.02 3m34A1 ASP 324 HA -0.19 0.13 0.85 -0.75 4.63 4.66 3m34A1 ASP 324 HB2 -0.08 0.14 0.11 -0.04 2.71 2.84 3m34A1 ASP 324 HB3 -0.07 0.02 0.25 -0.04 2.70 2.86 3m34A1 PHE 325 H -0.22 0.31 0.04 -0.55 8.34 7.92 3m34A1 PHE 325 HA 0.01 0.15 0.55 -0.75 4.62 4.58 3m34A1 PHE 325 HB2 0.08 -0.00 -0.01 -0.04 3.15 3.17 3m34A1 PHE 325 HB3 0.09 -0.02 -0.01 -0.04 3.06 3.09 3m34A1 PHE 325 HD2 0.07 -0.04 -0.11 -0.04 7.28 7.15 3m34A1 PHE 325 HE2 0.14 0.06 -0.05 -0.04 7.38 7.49 3m34A1 PHE 325 HZ 0.20 0.08 -0.04 -0.04 7.32 7.52 3m34A1 ASN 326 H 0.10 0.08 -0.09 -0.55 8.53 8.08 3m34A1 ASN 326 HA 0.12 0.12 0.38 -0.75 4.76 4.63 3m34A1 ASN 326 HB2 0.05 -0.00 0.04 -0.04 2.88 2.92 3m34A1 ASN 326 HB3 0.05 -0.00 0.03 -0.04 2.79 2.83 3m34A1 ASN 326 HD21 0.07 0.04 0.01 -0.04 7.03 7.11 3m34A1 ASN 326 HD22 0.05 -0.00 0.01 -0.04 7.74 7.75 3m34A1 LYS 327 H 0.03 0.13 -0.45 -0.55 8.42 7.57 3m34A1 LYS 327 HA 0.01 0.02 0.28 -0.75 4.32 3.87 3m34A1 LYS 327 HB2 -0.01 -0.07 0.04 -0.04 1.87 1.79 3m34A1 LYS 327 HB3 -0.02 0.18 0.02 -0.04 1.79 1.94 3m34A1 LYS 327 HG2 -0.03 0.03 -0.12 -0.04 1.46 1.29 3m34A1 LYS 327 HG3 -0.02 -0.05 0.07 -0.04 1.46 1.42 3m34A1 LYS 327 HD2 -0.02 -0.03 0.01 -0.04 1.69 1.61 3m34A1 LYS 327 HD3 -0.03 0.07 0.01 -0.04 1.68 1.69 3m34A1 LYS 327 HE2 -0.02 0.01 0.00 -0.04 2.99 2.93 3m34A1 LYS 327 HE3 -0.02 -0.04 0.01 -0.04 2.99 2.90 3m34A1 ILE 328 H 0.01 0.26 -0.52 -0.55 8.25 7.46 3m34A1 ILE 328 HA -0.13 -0.02 0.15 -0.75 4.18 3.42 3m34A1 ILE 328 HB -0.16 0.10 0.04 -0.04 1.89 1.83 3m34A1 ILE 328 HG12 -0.13 0.01 -0.04 -0.04 1.49 1.28 3m34A1 ILE 328 HG13 -0.01 0.02 0.04 -0.04 1.21 1.22 3m34A1 ILE 328 HG23 -0.71 -0.03 -0.31 -0.04 0.93 -0.16 3m34A1 ILE 328 HD13 -0.04 -0.00 -0.04 -0.04 0.88 0.77 3m34A1 ALA 329 H -0.14 0.15 0.13 -0.55 8.40 7.99 3m34A1 ALA 329 HA -0.01 0.08 0.80 -0.75 4.34 4.45 3m34A1 ALA 329 HB3 -0.06 -0.00 0.11 -0.04 1.41 1.42 3m34A1 TYR 330 H 0.18 0.14 0.06 -0.55 8.29 8.12 3m34A1 TYR 330 HA -0.13 0.13 0.46 -0.75 4.56 4.27 3m34A1 TYR 330 HB2 -0.06 -0.06 0.03 -0.04 3.06 2.94 3m34A1 TYR 330 HB3 -0.07 0.00 0.05 -0.04 2.98 2.92 3m34A1 TYR 330 HD2 -0.09 -0.00 -0.00 -0.04 7.15 7.02 3m34A1 TYR 330 HE2 -0.15 0.06 -0.06 -0.04 6.85 6.66 3m34A1 PRO 331 HA -0.24 0.10 0.58 -0.51 4.44 4.38 3m34A1 PRO 331 HB2 -1.41 -0.10 -0.14 -0.04 2.28 0.59 3m34A1 PRO 331 HB3 -0.50 0.04 0.02 -0.04 2.02 1.54 3m34A1 PRO 331 HG2 0.00 -0.01 -0.10 -0.04 2.03 1.88 3m34A1 PRO 331 HG3 -0.13 0.13 -0.01 -0.04 2.03 1.99 3m34A1 PRO 331 HD2 0.10 0.01 0.12 -0.04 3.68 3.87 3m34A1 PRO 331 HD3 -0.03 0.20 0.16 -0.04 3.65 3.93 3m34A1 ASP 332 H -0.28 0.21 0.11 -0.55 8.40 7.89 3m34A1 ASP 332 HA -0.12 0.09 0.75 -0.75 4.63 4.59 3m34A1 ASP 332 HB2 -0.08 0.12 0.07 -0.04 2.71 2.78 3m34A1 ASP 332 HB3 -0.10 0.03 0.20 -0.04 2.70 2.78 3m34A1 PHE 333 H 0.05 0.20 -0.01 -0.55 8.34 8.03 3m34A1 PHE 333 HA 0.01 0.30 0.63 -0.75 4.62 4.80 3m34A1 PHE 333 HB2 0.02 -0.10 -0.18 -0.04 3.15 2.84 3m34A1 PHE 333 HB3 0.02 -0.08 0.13 -0.04 3.06 3.08 3m34A1 PHE 333 HD2 0.01 0.07 -0.17 -0.04 7.28 7.15 3m34A1 PHE 333 HE2 0.01 0.08 -0.07 -0.04 7.38 7.35 3m34A1 PHE 333 HZ -0.01 0.11 0.02 -0.04 7.32 7.39 3m34A1 LYS 334 H 0.06 0.12 -0.29 -0.55 8.42 7.76 3m34A1 LYS 334 HA 0.09 -0.08 0.35 -0.75 4.32 3.92 3m34A1 LYS 334 HB2 0.04 -0.01 0.08 -0.04 1.87 1.94 3m34A1 LYS 334 HB3 0.03 0.07 0.06 -0.04 1.79 1.92 3m34A1 LYS 334 HG2 0.05 0.05 -0.19 -0.04 1.46 1.32 3m34A1 LYS 334 HG3 0.06 -0.03 0.02 -0.04 1.46 1.46 3m34A1 LYS 334 HD2 0.03 -0.00 -0.00 -0.04 1.69 1.67 3m34A1 LYS 334 HD3 0.02 0.04 -0.03 -0.04 1.68 1.67 3m34A1 LYS 334 HE2 0.04 0.00 -0.03 -0.04 2.99 2.96 3m34A1 LYS 334 HE3 0.04 -0.04 -0.01 -0.04 2.99 2.94 3m34A1 GLY 335 H 0.09 0.08 0.20 -0.55 8.43 8.26 3m34A1 GLY 335 HA2 0.07 0.00 0.28 -0.51 4.01 3.86 3m34A1 GLY 335 HA3 0.05 0.10 0.30 -0.51 4.01 3.95 3m34A1 LYS 336 H 0.10 0.45 -0.22 -0.55 8.42 8.20 3m34A1 LYS 336 HA 0.04 0.14 0.83 -0.75 4.32 4.57 3m34A1 LYS 336 HB2 0.18 -0.04 0.08 -0.04 1.87 2.05 3m34A1 LYS 336 HB3 0.11 0.02 -0.07 -0.04 1.79 1.81 3m34A1 LYS 336 HG2 0.06 0.02 -0.13 -0.04 1.46 1.37 3m34A1 LYS 336 HG3 0.10 0.16 -0.31 -0.04 1.46 1.37 3m34A1 LYS 336 HD2 0.11 0.08 -0.00 -0.04 1.69 1.84 3m34A1 LYS 336 HD3 0.15 -0.06 -0.05 -0.04 1.68 1.69 3m34A1 LYS 336 HE2 0.03 -0.01 -0.02 -0.04 2.99 2.96 3m34A1 LYS 336 HE3 0.04 -0.03 -0.02 -0.04 2.99 2.94 3m34A1 ASP 337 H 0.00 0.22 0.20 -0.55 8.40 8.27 3m34A1 ASP 337 HA -0.02 0.06 0.79 -0.75 4.63 4.70 3m34A1 ASP 337 HB2 -0.04 0.01 0.17 -0.04 2.71 2.81 3m34A1 ASP 337 HB3 -0.06 0.03 -0.01 -0.04 2.70 2.62 3m34A1 LEU 338 H -0.03 0.46 0.35 -0.55 8.37 8.61 3m34A1 LEU 338 HA -0.02 0.12 0.61 -0.75 4.35 4.30 3m34A1 LEU 338 HB2 -0.07 0.02 0.04 -0.04 1.64 1.59 3m34A1 LEU 338 HB3 -0.02 0.18 -0.08 -0.04 1.64 1.67 3m34A1 LEU 338 HG -0.07 0.10 -0.19 -0.04 1.64 1.43 3m34A1 LEU 338 HD13 -0.18 -0.07 -0.31 -0.04 0.93 0.32 3m34A1 LEU 338 HD23 -0.23 0.01 -0.13 -0.04 0.89 0.50 3m34A1 ALA 339 H -0.03 0.21 0.12 -0.55 8.40 8.16 3m34A1 ALA 339 HA -0.03 0.25 0.73 -0.75 4.34 4.53 3m34A1 ALA 339 HB3 -0.02 0.03 -0.19 -0.04 1.41 1.18 3m34A1 THR 340 H -0.02 0.15 0.15 -0.55 8.28 8.00 3m34A1 THR 340 HA -0.09 0.04 0.15 -0.75 4.39 3.74 3m34A1 THR 340 HB -0.00 0.10 0.04 -0.04 4.32 4.42 3m34A1 THR 340 HG23 -0.02 0.06 -0.26 -0.04 1.22 0.96 3m34A1 ARG 341 H -0.00 0.31 -0.20 -0.55 8.46 8.02 3m34A1 ARG 341 HA 0.04 0.11 0.47 -0.75 4.34 4.21 3m34A1 ARG 341 HB2 0.10 0.18 -0.06 -0.04 1.90 2.09 3m34A1 ARG 341 HB3 0.08 -0.11 -0.01 -0.04 1.80 1.72 3m34A1 ARG 341 HG2 -0.00 0.07 0.10 -0.04 1.67 1.80 3m34A1 ARG 341 HG3 0.04 -0.01 -0.15 -0.04 1.67 1.51 3m34A1 ARG 341 HD2 0.15 0.19 -0.04 -0.04 3.22 3.48 3m34A1 ARG 341 HD3 0.07 -0.16 0.05 -0.04 3.22 3.14 3m34A1 ASP 342 H -0.02 0.27 -0.34 -0.55 8.40 7.76 3m34A1 ASP 342 HA 0.02 0.17 0.41 -0.75 4.63 4.48 3m34A1 ASP 342 HB2 -0.03 0.04 0.15 -0.04 2.71 2.83 3m34A1 ASP 342 HB3 0.01 0.04 -0.00 -0.04 2.70 2.71 3m34A1 SER 343 H -0.15 0.28 -0.05 -0.55 8.46 8.00 3m34A1 SER 343 HA -0.33 0.09 0.47 -0.75 4.49 3.97 3m34A1 SER 343 HB2 -0.84 0.04 0.01 -0.04 3.95 3.12 3m34A1 SER 343 HB3 -0.84 -0.05 0.02 -0.04 3.93 3.01 3m34A1 ASN 344 H -0.05 0.39 -0.44 -0.55 8.53 7.88 3m34A1 ASN 344 HA 0.02 0.02 0.16 -0.75 4.76 4.20 3m34A1 ASN 344 HB2 0.03 -0.02 0.05 -0.04 2.88 2.90 3m34A1 ASN 344 HB3 0.01 0.11 0.07 -0.04 2.79 2.94 3m34A1 ASN 344 HD21 -0.00 0.03 -0.15 -0.04 7.03 6.87 3m34A1 ASN 344 HD22 -0.02 0.09 -0.23 -0.04 7.74 7.54 3m34A1 GLY 345 H -0.01 0.40 -0.16 -0.55 8.43 8.12 3m34A1 GLY 345 HA2 -0.07 0.08 0.44 -0.51 4.01 3.95 3m34A1 GLY 345 HA3 0.00 0.13 0.39 -0.51 4.01 4.03 3m34A1 GLU 346 H 0.04 0.42 -0.22 -0.55 8.60 8.29 3m34A1 GLU 346 HA 0.04 0.03 0.50 -0.75 4.29 4.11 3m34A1 GLU 346 HB2 0.31 0.10 0.15 -0.04 2.09 2.61 3m34A1 GLU 346 HB3 0.14 -0.04 0.02 -0.04 1.99 2.07 3m34A1 GLU 346 HG2 0.10 -0.01 0.04 -0.04 2.34 2.42 3m34A1 GLU 346 HG3 0.18 -0.03 0.01 -0.04 2.34 2.46 3m34A1 ILE 347 H -0.01 0.43 -0.21 -0.55 8.25 7.91 3m34A1 ILE 347 HA -0.13 -0.00 0.39 -0.75 4.18 3.68 3m34A1 ILE 347 HB -0.25 0.12 0.12 -0.04 1.89 1.84 3m34A1 ILE 347 HG12 0.19 -0.03 0.01 -0.04 1.49 1.62 3m34A1 ILE 347 HG13 0.23 0.05 0.03 -0.04 1.21 1.48 3m34A1 ILE 347 HG23 -0.60 0.00 -0.10 -0.04 0.93 0.19 3m34A1 ILE 347 HD13 0.19 -0.03 -0.26 -0.04 0.88 0.74 3m34A1 LEU 348 H -0.27 0.65 -0.06 -0.55 8.37 8.14 3m34A1 LEU 348 HA -0.55 0.01 0.30 -0.75 4.35 3.36 3m34A1 LEU 348 HB2 -0.22 0.15 0.07 -0.04 1.64 1.60 3m34A1 LEU 348 HB3 -0.26 0.01 -0.10 -0.04 1.64 1.25 3m34A1 LEU 348 HG -0.30 0.09 -0.05 -0.04 1.64 1.35 3m34A1 LEU 348 HD13 -0.46 -0.01 -0.15 -0.04 0.93 0.27 3m34A1 LEU 348 HD23 -0.55 -0.01 -0.11 -0.04 0.89 0.17 3m34A1 ASN 349 H -0.13 0.44 -0.32 -0.55 8.53 7.97 3m34A1 ASN 349 HA -0.06 0.05 0.46 -0.75 4.76 4.46 3m34A1 ASN 349 HB2 -0.02 0.11 0.20 -0.04 2.88 3.12 3m34A1 ASN 349 HB3 -0.01 -0.04 0.04 -0.04 2.79 2.74 3m34A1 ASN 349 HD21 -0.16 0.38 0.11 -0.04 7.03 7.32 3m34A1 ASN 349 HD22 -0.04 0.49 0.09 -0.04 7.74 8.24 3m34A1 VAL 350 H -0.19 0.44 -0.09 -0.55 8.24 7.85 3m34A1 VAL 350 HA -0.17 0.00 0.33 -0.75 4.13 3.54 3m34A1 VAL 350 HB -0.30 0.06 0.19 -0.04 2.12 2.03 3m34A1 VAL 350 HG13 -0.36 -0.00 -0.14 -0.04 0.97 0.42 3m34A1 VAL 350 HG23 -0.14 0.02 0.05 -0.04 0.95 0.84 3m34A1 LEU 351 H -0.49 0.62 -0.14 -0.55 8.37 7.81 3m34A1 LEU 351 HA -0.50 -0.01 0.37 -0.75 4.35 3.45 3m34A1 LEU 351 HB2 -1.37 0.09 0.06 -0.04 1.64 0.38 3m34A1 LEU 351 HB3 -1.55 0.01 -0.05 -0.04 1.64 0.01 3m34A1 LEU 351 HG -0.81 0.09 -0.03 -0.04 1.64 0.85 3m34A1 LEU 351 HD13 -1.63 -0.02 -0.13 -0.04 0.93 -0.89 3m34A1 LEU 351 HD23 -0.50 -0.02 -0.09 -0.04 0.89 0.24 3m34A1 ALA 352 H -0.25 0.58 -0.14 -0.55 8.40 8.04 3m34A1 ALA 352 HA 0.21 0.17 0.42 -0.75 4.34 4.38 3m34A1 ALA 352 HB3 0.11 -0.01 0.03 -0.04 1.41 1.50 3m34A1 LYS 353 H -0.11 0.37 -0.32 -0.55 8.42 7.81 3m34A1 LYS 353 HA -0.02 0.08 0.57 -0.75 4.32 4.19 3m34A1 LYS 353 HB2 -0.10 0.07 0.11 -0.04 1.87 1.91 3m34A1 LYS 353 HB3 -0.05 -0.10 -0.04 -0.04 1.79 1.56 3m34A1 LYS 353 HG2 -0.02 -0.03 0.01 -0.04 1.46 1.38 3m34A1 LYS 353 HG3 -0.04 0.14 0.02 -0.04 1.46 1.55 3m34A1 LYS 353 HD2 -0.06 -0.03 -0.04 -0.04 1.69 1.51 3m34A1 LYS 353 HD3 -0.03 -0.07 -0.03 -0.04 1.68 1.51 3m34A1 LYS 353 HE2 -0.01 -0.07 -0.06 -0.04 2.99 2.81 3m34A1 LYS 353 HE3 -0.03 0.12 -0.13 -0.04 2.99 2.91 3m34A1 ASN 354 H -0.14 0.46 -0.10 -0.55 8.53 8.20 3m34A1 ASN 354 HA -0.06 0.05 0.61 -0.75 4.76 4.60 3m34A1 ASN 354 HB2 -0.19 0.10 0.11 -0.04 2.88 2.86 3m34A1 ASN 354 HB3 -0.10 -0.06 -0.01 -0.04 2.79 2.59 3m34A1 ASN 354 HD21 -0.16 -0.12 0.00 -0.04 7.03 6.71 3m34A1 ASN 354 HD22 -0.21 0.59 0.11 -0.04 7.74 8.19 3m34A1 LEU 355 H -0.03 0.46 -0.26 -0.55 8.37 7.98 3m34A1 LEU 355 HA 0.04 0.06 0.85 -0.75 4.35 4.55 3m34A1 LEU 355 HB2 0.06 0.18 0.17 -0.04 1.64 2.00 3m34A1 LEU 355 HB3 0.20 -0.06 0.02 -0.04 1.64 1.76 3m34A1 LEU 355 HG -0.04 -0.08 -0.24 -0.04 1.64 1.24 3m34A1 LEU 355 HD13 0.08 -0.01 -0.06 -0.04 0.93 0.90 3m34A1 LEU 355 HD23 0.11 0.03 -0.12 -0.04 0.89 0.87 3m34A1 GLU 356 H 0.06 0.15 0.07 -0.55 8.60 8.34 3m34A1 GLU 356 HA 0.09 0.16 0.31 -0.75 4.29 4.10 3m34A1 GLU 356 HB2 0.06 -0.02 0.06 -0.04 2.09 2.15 3m34A1 GLU 356 HB3 0.07 0.03 0.01 -0.04 1.99 2.06 3m34A1 GLU 356 HG2 0.04 0.01 0.02 -0.04 2.34 2.37 3m34A1 GLU 356 HG3 0.03 0.02 -0.04 -0.04 2.34 2.32 3m34A1 GLY 357 H 0.16 -0.00 -0.31 -0.55 8.43 7.73 3m34A1 GLY 357 HA2 0.31 0.15 0.69 -0.51 4.01 4.64 3m34A1 GLY 357 HA3 0.19 0.25 0.40 -0.51 4.01 4.35 3m34A1 PHE 358 H 0.32 0.47 -0.25 -0.55 8.34 8.33 3m34A1 PHE 358 HA 0.21 0.24 0.70 -0.75 4.62 5.02 3m34A1 PHE 358 HB2 0.13 -0.10 0.04 -0.04 3.15 3.18 3m34A1 PHE 358 HB3 0.07 0.13 0.11 -0.04 3.06 3.32 3m34A1 PHE 358 HD2 0.13 -0.01 -0.17 -0.04 7.28 7.19 3m34A1 PHE 358 HE2 -0.10 -0.06 -0.13 -0.04 7.38 7.05 3m34A1 PHE 358 HZ -0.40 -0.14 -0.13 -0.04 7.32 6.61 3m34A1 LEU 359 H -0.32 0.53 0.35 -0.55 8.37 8.38 3m34A1 LEU 359 HA -0.05 0.08 0.62 -0.75 4.35 4.24 3m34A1 LEU 359 HB2 -0.15 0.12 0.26 -0.04 1.64 1.83 3m34A1 LEU 359 HB3 -0.01 0.14 -0.39 -0.04 1.64 1.35 3m34A1 LEU 359 HG -0.51 -0.11 -0.21 -0.04 1.64 0.77 3m34A1 LEU 359 HD13 -0.15 0.01 -0.07 -0.04 0.93 0.68 3m34A1 LEU 359 HD23 -0.20 0.03 -0.15 -0.04 0.89 0.53 3m34A1 GLY 360 H -0.45 0.50 0.36 -0.55 8.43 8.30 3m34A1 GLY 360 HA2 -0.71 0.03 0.41 -0.51 4.01 3.23 3m34A1 GLY 360 HA3 -1.84 0.10 0.86 -0.51 4.01 2.62 3m34A1 GLY 361 H -0.55 0.60 0.39 -0.55 8.43 8.31 3m34A1 GLY 361 HA2 -0.03 0.02 0.49 -0.51 4.01 3.98 3m34A1 GLY 361 HA3 -0.12 0.32 0.58 -0.51 4.01 4.28 3m34A1 SER 362 H 0.09 0.22 0.31 -0.55 8.46 8.53 3m34A1 SER 362 HA 0.11 0.32 1.01 -0.75 4.49 5.17 3m34A1 SER 362 HB2 0.12 0.11 -0.18 -0.04 3.95 3.96 3m34A1 SER 362 HB3 0.08 -0.13 -0.00 -0.04 3.93 3.83 3m34A1 ALA 363 H 0.03 0.54 0.26 -0.55 8.40 8.69 3m34A1 ALA 363 HA 0.10 0.29 0.78 -0.75 4.34 4.75 3m34A1 ALA 363 HB3 -0.02 -0.02 0.14 -0.04 1.41 1.46 3m34A1 ASP 364 H 0.07 0.35 -0.03 -0.55 8.40 8.25 3m34A1 ASP 364 HA 0.04 0.04 0.28 -0.75 4.63 4.23 3m34A1 ASP 364 HB2 -0.00 -0.08 -0.30 -0.04 2.71 2.29 3m34A1 ASP 364 HB3 -0.04 0.15 0.05 -0.04 2.70 2.81 3m34A1 LEU 365 H -0.01 0.05 -0.54 -0.55 8.37 7.33 3m34A1 LEU 365 HA -0.05 0.32 0.94 -0.75 4.35 4.80 3m34A1 LEU 365 HB2 -0.19 0.03 -0.05 -0.04 1.64 1.39 3m34A1 LEU 365 HB3 -0.27 -0.16 0.11 -0.04 1.64 1.28 3m34A1 LEU 365 HG -0.24 0.19 -0.34 -0.04 1.64 1.21 3m34A1 LEU 365 HD13 -1.02 -0.00 0.02 -0.04 0.93 -0.11 3m34A1 LEU 365 HD23 -0.30 0.02 -0.01 -0.04 0.89 0.56 3m34A1 GLY 366 H 0.05 0.17 -0.21 -0.55 8.43 7.90 3m34A1 GLY 366 HA2 0.07 0.02 0.22 -0.51 4.01 3.81 3m34A1 GLY 366 HA3 0.07 0.18 0.24 -0.51 4.01 3.99 3m34A1 PRO 367 HA 0.09 0.13 0.44 -0.51 4.44 4.59 3m34A1 PRO 367 HB2 0.08 0.03 -0.16 -0.04 2.28 2.18 3m34A1 PRO 367 HB3 0.08 0.09 0.04 -0.04 2.02 2.18 3m34A1 PRO 367 HG2 0.06 0.09 -0.03 -0.04 2.03 2.11 3m34A1 PRO 367 HG3 0.07 0.10 -0.01 -0.04 2.03 2.15 3m34A1 PRO 367 HD2 0.05 0.06 -0.25 -0.04 3.68 3.50 3m34A1 PRO 367 HD3 0.07 0.12 0.01 -0.04 3.65 3.81 3m34A1 SER 368 H 0.09 0.21 -0.32 -0.55 8.46 7.88 3m34A1 SER 368 HA 0.21 0.00 0.79 -0.75 4.49 4.73 3m34A1 SER 368 HB2 0.10 0.00 0.07 -0.04 3.95 4.08 3m34A1 SER 368 HB3 0.38 0.00 -0.02 -0.04 3.93 4.25 3m34A1 ASN 369 H 0.10 0.82 0.07 -0.55 8.53 8.97 3m34A1 ASN 369 HA 0.25 0.01 0.50 -0.75 4.76 4.77 3m34A1 ASN 369 HB2 0.10 -0.01 -0.19 -0.04 2.88 2.73 3m34A1 ASN 369 HB3 0.13 0.07 -0.09 -0.04 2.79 2.85 3m34A1 ASN 369 HD21 -0.05 -0.14 -0.42 -0.04 7.03 6.38 3m34A1 ASN 369 HD22 0.29 -0.00 -0.23 -0.04 7.74 7.76 3m34A1 LYS 370 H 0.11 0.11 -0.51 -0.55 8.42 7.58 3m34A1 LYS 370 HA 0.08 0.02 0.17 -0.75 4.32 3.84 3m34A1 LYS 370 HB2 0.06 0.27 0.02 -0.04 1.87 2.18 3m34A1 LYS 370 HB3 0.06 -0.02 0.11 -0.04 1.79 1.90 3m34A1 LYS 370 HG2 0.12 0.04 -0.51 -0.04 1.46 1.08 3m34A1 LYS 370 HG3 0.07 -0.12 -0.27 -0.04 1.46 1.10 3m34A1 LYS 370 HD2 0.09 -0.02 -0.04 -0.04 1.69 1.68 3m34A1 LYS 370 HD3 0.11 0.10 -0.11 -0.04 1.68 1.73 3m34A1 LYS 370 HE2 0.09 0.09 0.07 -0.04 2.99 3.21 3m34A1 LYS 370 HE3 0.11 -0.03 0.01 -0.04 2.99 3.04 3m34A1 THR 371 H 0.05 0.17 -0.04 -0.55 8.28 7.92 3m34A1 THR 371 HA -0.05 0.29 0.41 -0.75 4.39 4.28 3m34A1 THR 371 HB 0.25 0.09 -0.12 -0.04 4.32 4.50 3m34A1 THR 371 HG23 0.04 0.01 -0.34 -0.04 1.22 0.89 3m34A1 GLU 372 H -0.03 -0.01 -0.20 -0.55 8.60 7.81 3m34A1 GLU 372 HA -0.05 0.02 0.25 -0.75 4.29 3.76 3m34A1 GLU 372 HB2 -0.02 -0.11 -0.05 -0.04 2.09 1.87 3m34A1 GLU 372 HB3 -0.23 -0.01 -0.05 -0.04 1.99 1.66 3m34A1 GLU 372 HG2 -0.35 0.02 -0.59 -0.04 2.34 1.37 3m34A1 GLU 372 HG3 -0.05 0.06 -0.15 -0.04 2.34 2.16 3m34A1 LEU 373 H -0.06 0.13 0.08 -0.55 8.37 7.98 3m34A1 LEU 373 HA -0.10 0.10 0.68 -0.75 4.35 4.28 3m34A1 LEU 373 HB2 0.02 -0.04 0.11 -0.04 1.64 1.69 3m34A1 LEU 373 HB3 0.04 0.11 -0.01 -0.04 1.64 1.74 3m34A1 LEU 373 HG 0.15 -0.02 -0.06 -0.04 1.64 1.67 3m34A1 LEU 373 HD13 0.21 0.02 -0.12 -0.04 0.93 1.00 3m34A1 LEU 373 HD23 0.08 0.02 -0.29 -0.04 0.89 0.66 3m34A1 HIS 374 H -0.10 0.18 -0.01 -0.55 8.41 7.93 3m34A1 HIS 374 HA 0.03 -0.08 0.11 -0.75 4.63 3.93 3m34A1 HIS 374 HB2 0.01 0.04 0.08 -0.04 3.26 3.36 3m34A1 HIS 374 HB3 0.01 -0.02 -0.03 -0.04 3.20 3.12 3m34A1 HIS 374 HD2 0.01 0.03 -0.01 -0.04 6.97 6.95 3m34A1 HIS 374 HE1 0.03 -0.08 -0.08 -0.04 7.75 7.57 3m34A1 SER 375 H 0.11 0.03 0.11 -0.55 8.46 8.16 3m34A1 SER 375 HA 0.05 -0.02 0.20 -0.75 4.49 3.97 3m34A1 SER 375 HB2 0.05 0.25 -0.11 -0.04 3.95 4.10 3m34A1 SER 375 HB3 0.03 0.02 0.11 -0.04 3.93 4.05 3m34A1 GLY 377 HA2 0.03 -0.08 0.20 -0.51 4.01 3.66 3m34A1 GLY 377 HA3 0.02 0.07 0.25 -0.51 4.01 3.84 3m34A1 ASP 378 H 0.04 0.11 0.10 -0.55 8.40 8.10 3m34A1 ASP 378 HA 0.04 0.20 0.78 -0.75 4.63 4.90 3m34A1 ASP 378 HB2 0.09 -0.04 0.08 -0.04 2.71 2.80 3m34A1 ASP 378 HB3 0.18 0.15 0.05 -0.04 2.70 3.04 3m34A1 PHE 379 H 0.10 0.62 0.04 -0.55 8.34 8.56 3m34A1 PHE 379 HA -0.07 0.24 0.29 -0.75 4.62 4.33 3m34A1 PHE 379 HB2 -0.22 0.06 -0.19 -0.04 3.15 2.76 3m34A1 PHE 379 HB3 -0.14 -0.14 0.04 -0.04 3.06 2.78 3m34A1 PHE 379 HD2 -0.17 0.01 -0.23 -0.04 7.28 6.85 3m34A1 PHE 379 HE2 -0.14 0.04 -0.09 -0.04 7.38 7.15 3m34A1 PHE 379 HZ -0.15 0.02 -0.16 -0.04 7.32 6.99 3m34A1 VAL 380 H -0.12 0.07 0.09 -0.55 8.24 7.72 3m34A1 VAL 380 HA -1.57 0.06 0.31 -0.75 4.13 2.18 3m34A1 VAL 380 HB -0.58 0.02 0.02 -0.04 2.12 1.53 3m34A1 VAL 380 HG13 -0.17 0.01 -0.08 -0.04 0.97 0.68 3m34A1 VAL 380 HG23 -0.69 0.02 -0.16 -0.04 0.95 0.08 3m34A1 GLU 381 H -0.11 0.09 0.06 -0.55 8.60 8.09 3m34A1 GLU 381 HA -0.09 0.09 0.37 -0.75 4.29 3.91 3m34A1 GLU 381 HB2 -0.03 -0.02 0.09 -0.04 2.09 2.08 3m34A1 GLU 381 HB3 -0.03 -0.00 0.01 -0.04 1.99 1.93 3m34A1 GLU 381 HG2 -0.03 -0.04 0.04 -0.04 2.34 2.26 3m34A1 GLU 381 HG3 -0.05 0.06 0.04 -0.04 2.34 2.35 3m34A1 GLY 382 H -0.05 0.39 -0.41 -0.55 8.43 7.81 3m34A1 GLY 382 HA2 -0.01 0.24 0.63 -0.51 4.01 4.36 3m34A1 GLY 382 HA3 -0.00 -0.17 -0.13 -0.51 4.01 3.20 3m34A1 LYS 383 H 0.00 0.24 0.02 -0.55 8.42 8.13 3m34A1 LYS 383 HA -0.01 0.23 0.62 -0.75 4.32 4.41 3m34A1 LYS 383 HB2 0.02 -0.01 0.04 -0.04 1.87 1.89 3m34A1 LYS 383 HB3 0.02 -0.08 0.04 -0.04 1.79 1.73 3m34A1 LYS 383 HG2 0.06 0.08 -0.08 -0.04 1.46 1.48 3m34A1 LYS 383 HG3 0.04 -0.05 -0.11 -0.04 1.46 1.30 3m34A1 LYS 383 HD2 0.08 -0.14 -0.03 -0.04 1.69 1.56 3m34A1 LYS 383 HD3 0.13 0.16 0.13 -0.04 1.68 2.06 3m34A1 LYS 383 HE2 0.09 -0.04 -0.02 -0.04 2.99 2.99 3m34A1 LYS 383 HE3 0.07 -0.05 0.00 -0.04 2.99 2.98 3m34A1 ASN 384 H -0.04 0.56 0.25 -0.55 8.53 8.75 3m34A1 ASN 384 HA -0.17 0.22 0.82 -0.75 4.76 4.87 3m34A1 ASN 384 HB2 -0.11 0.02 0.17 -0.04 2.88 2.92 3m34A1 ASN 384 HB3 -0.30 -0.13 -0.01 -0.04 2.79 2.31 3m34A1 ASN 384 HD21 -0.01 0.42 0.18 -0.04 7.03 7.58 3m34A1 ASN 384 HD22 -0.00 0.32 0.13 -0.04 7.74 8.15 3m34A1 ILE 385 H -0.38 0.63 0.33 -0.55 8.25 8.27 3m34A1 ILE 385 HA -0.41 0.14 0.88 -0.75 4.18 4.04 3m34A1 ILE 385 HB -0.84 -0.07 -0.11 -0.04 1.89 0.83 3m34A1 ILE 385 HG12 -0.65 0.02 -0.15 -0.04 1.49 0.68 3m34A1 ILE 385 HG13 -0.41 0.14 -0.20 -0.04 1.21 0.71 3m34A1 ILE 385 HG23 -1.47 -0.02 -0.27 -0.04 0.93 -0.87 3m34A1 ILE 385 HD13 -0.81 0.01 -0.10 -0.04 0.88 -0.06 3m34A1 HIS 386 H -0.23 0.30 0.07 -0.55 8.41 8.00 3m34A1 HIS 386 HA -0.09 -0.00 0.87 -0.75 4.63 4.65 3m34A1 HIS 386 HB2 -0.05 0.12 0.20 -0.04 3.26 3.49 3m34A1 HIS 386 HB3 -0.04 -0.08 0.11 -0.04 3.20 3.14 3m34A1 HIS 386 HD2 -0.01 0.12 0.02 -0.04 6.97 7.06 3m34A1 HIS 386 HE1 -0.00 -0.05 -0.07 -0.04 7.75 7.59 3m34A1 PHE 387 H 0.08 0.35 0.12 -0.55 8.34 8.34 3m34A1 PHE 387 HA -0.05 0.18 0.43 -0.75 4.62 4.43 3m34A1 PHE 387 HB2 -0.05 0.01 -0.11 -0.04 3.15 2.96 3m34A1 PHE 387 HB3 -0.04 0.01 -0.04 -0.04 3.06 2.94 3m34A1 PHE 387 HD2 -0.14 -0.04 -0.20 -0.04 7.28 6.86 3m34A1 PHE 387 HE2 -0.32 0.01 -0.12 -0.04 7.38 6.92 3m34A1 PHE 387 HZ -0.51 0.09 -0.13 -0.04 7.32 6.72 3m34A1 GLY 388 H 0.10 -0.06 -0.26 -0.55 8.43 7.67 3m34A1 GLY 388 HA2 0.04 -0.01 0.26 -0.51 4.01 3.79 3m34A1 GLY 388 HA3 0.05 0.20 0.58 -0.51 4.01 4.33 3m34A1 ILE 389 H 0.00 0.19 0.02 -0.55 8.25 7.91 3m34A1 ILE 389 HA -0.05 0.14 0.49 -0.75 4.18 4.01 3m34A1 ILE 389 HB -0.05 0.03 0.19 -0.04 1.89 2.03 3m34A1 ILE 389 HG12 -0.07 0.01 0.01 -0.04 1.49 1.41 3m34A1 ILE 389 HG13 -0.06 0.06 -0.14 -0.04 1.21 1.03 3m34A1 ILE 389 HG23 -0.16 -0.00 0.02 -0.04 0.93 0.75 3m34A1 ILE 389 HD13 -0.02 -0.02 0.01 -0.04 0.88 0.81 3m34A1 ARG 390 H 0.01 0.39 -0.26 -0.55 8.46 8.05 3m34A1 ARG 390 HA 0.05 0.07 0.71 -0.75 4.34 4.42 3m34A1 ARG 390 HB2 0.09 0.24 -0.05 -0.04 1.90 2.14 3m34A1 ARG 390 HB3 0.07 -0.13 0.03 -0.04 1.80 1.72 3m34A1 ARG 390 HG2 0.04 0.01 -0.22 -0.04 1.67 1.46 3m34A1 ARG 390 HG3 0.04 -0.17 -0.49 -0.04 1.67 1.01 3m34A1 ARG 390 HD2 0.09 0.24 0.02 -0.04 3.22 3.53 3m34A1 ARG 390 HD3 0.07 -0.07 -0.00 -0.04 3.22 3.17 3m34A1 GLU 391 H 0.01 0.15 -0.02 -0.55 8.60 8.19 3m34A1 GLU 391 HA 0.01 0.09 0.23 -0.75 4.29 3.87 3m34A1 GLU 391 HB2 0.11 -0.06 -0.02 -0.04 2.09 2.09 3m34A1 GLU 391 HB3 0.12 0.07 -0.10 -0.04 1.99 2.04 3m34A1 GLU 391 HG2 0.02 0.05 0.01 -0.04 2.34 2.37 3m34A1 GLU 391 HG3 -0.01 -0.00 0.04 -0.04 2.34 2.33 3m34A1 HIS 392 H 0.22 -0.02 -0.23 -0.55 8.41 7.83 3m34A1 HIS 392 HA 0.09 0.07 0.39 -0.75 4.63 4.43 3m34A1 HIS 392 HB2 0.10 0.09 0.11 -0.04 3.26 3.53 3m34A1 HIS 392 HB3 0.07 -0.13 0.05 -0.04 3.20 3.14 3m34A1 HIS 392 HD2 0.08 0.04 0.12 -0.04 6.97 7.16 3m34A1 HIS 392 HE1 0.01 -0.01 -0.02 -0.04 7.75 7.68 3m34A1 ALA 393 H 0.10 -0.01 -0.22 -0.55 8.40 7.72 3m34A1 ALA 393 HA -0.03 0.01 0.26 -0.75 4.34 3.83 3m34A1 ALA 393 HB3 0.03 0.04 0.01 -0.04 1.41 1.45 3m34A1 ALA 395 HA 0.13 -0.06 0.28 -0.75 4.34 3.94 3m34A1 ALA 395 HB3 0.35 -0.01 0.02 -0.04 1.41 1.73 3m34A1 ALA 396 H 0.06 0.52 -0.71 -0.55 8.40 7.72 3m34A1 ALA 396 HA 0.08 0.05 0.31 -0.75 4.34 4.03 3m34A1 ALA 396 HB3 -0.02 -0.02 -0.02 -0.04 1.41 1.31 3m34A1 ILE 397 H -0.03 0.77 0.21 -0.55 8.25 8.65 3m34A1 ILE 397 HA -0.05 0.08 0.62 -0.75 4.18 4.08 3m34A1 ILE 397 HB 0.03 0.04 0.03 -0.04 1.89 1.94 3m34A1 ILE 397 HG12 -0.03 0.02 -0.01 -0.04 1.49 1.43 3m34A1 ILE 397 HG13 -0.01 -0.06 0.08 -0.04 1.21 1.18 3m34A1 ILE 397 HG23 0.17 0.00 -0.17 -0.04 0.93 0.90 3m34A1 ILE 397 HD13 0.06 -0.03 -0.03 -0.04 0.88 0.84 3m34A1 ASN 398 H -0.12 0.16 -0.31 -0.55 8.53 7.71 3m34A1 ASN 398 HA -0.14 0.07 0.26 -0.75 4.76 4.21 3m34A1 ASN 398 HB2 -0.40 0.03 -0.01 -0.04 2.88 2.45 3m34A1 ASN 398 HB3 -1.06 0.05 -0.12 -0.04 2.79 1.62 3m34A1 ASN 398 HD21 -0.33 0.02 -0.06 -0.04 7.03 6.62 3m34A1 ASN 398 HD22 -0.37 -0.08 -0.30 -0.04 7.74 6.95 3m34A1 ASN 399 H 0.01 0.45 -0.24 -0.55 8.53 8.21 3m34A1 ASN 399 HA 0.11 0.06 0.46 -0.75 4.76 4.63 3m34A1 ASN 399 HB2 0.05 0.08 0.12 -0.04 2.88 3.10 3m34A1 ASN 399 HB3 0.08 -0.01 -0.05 -0.04 2.79 2.77 3m34A1 ASN 399 HD21 0.22 0.25 -0.02 -0.04 7.03 7.44 3m34A1 ASN 399 HD22 0.13 -0.11 -0.03 -0.04 7.74 7.70 3m34A1 ALA 400 H -0.14 0.33 -0.36 -0.55 8.40 7.68 3m34A1 ALA 400 HA -0.49 0.05 0.37 -0.75 4.34 3.51 3m34A1 ALA 400 HB3 -0.84 -0.01 0.04 -0.04 1.41 0.57 3m34A1 PHE 401 H 0.11 0.41 -0.03 -0.55 8.34 8.28 3m34A1 PHE 401 HA 0.06 0.06 0.52 -0.75 4.62 4.50 3m34A1 PHE 401 HB2 -0.21 -0.02 0.13 -0.04 3.15 3.01 3m34A1 PHE 401 HB3 -0.10 -0.01 -0.10 -0.04 3.06 2.81 3m34A1 PHE 401 HD2 -0.57 0.06 -0.08 -0.04 7.28 6.65 3m34A1 PHE 401 HE2 -0.49 -0.06 -0.04 -0.04 7.38 6.75 3m34A1 PHE 401 HZ -0.39 -0.07 -0.06 -0.04 7.32 6.76 3m34A1 ALA 402 H 0.06 0.48 -0.35 -0.55 8.40 8.04 3m34A1 ALA 402 HA 0.18 0.18 0.44 -0.75 4.34 4.39 3m34A1 ALA 402 HB3 0.04 -0.01 0.05 -0.04 1.41 1.45 3m34A1 ARG 403 H 0.14 0.22 -0.36 -0.55 8.46 7.91 3m34A1 ARG 403 HA 0.18 0.11 0.62 -0.75 4.34 4.49 3m34A1 ARG 403 HB2 0.26 -0.02 0.09 -0.04 1.90 2.19 3m34A1 ARG 403 HB3 0.35 0.04 0.06 -0.04 1.80 2.20 3m34A1 ARG 403 HG2 0.14 0.01 -0.06 -0.04 1.67 1.72 3m34A1 ARG 403 HG3 0.18 -0.14 0.01 -0.04 1.67 1.67 3m34A1 ARG 403 HD2 0.14 0.05 0.03 -0.04 3.22 3.40 3m34A1 ARG 403 HD3 0.13 -0.08 -0.03 -0.04 3.22 3.20 3m34A1 TYR 404 H 0.38 0.31 -0.28 -0.55 8.29 8.15 3m34A1 TYR 404 HA 0.25 0.01 0.27 -0.75 4.56 4.34 3m34A1 TYR 404 HB2 0.23 0.07 0.14 -0.04 3.06 3.46 3m34A1 TYR 404 HB3 0.33 -0.08 0.17 -0.04 2.98 3.36 3m34A1 TYR 404 HD2 0.17 -0.08 -0.10 -0.04 7.15 7.09 3m34A1 TYR 404 HE2 0.17 -0.04 -0.08 -0.04 6.85 6.86 3m34A1 GLY 405 H 0.24 0.08 -0.11 -0.55 8.43 8.10 3m34A1 GLY 405 HA2 0.06 0.07 0.24 -0.51 4.01 3.86 3m34A1 GLY 405 HA3 -0.04 0.16 0.78 -0.51 4.01 4.40 3m34A1 ILE 406 H 0.02 0.02 0.10 -0.55 8.25 7.85 3m34A1 ILE 406 HA -0.04 0.35 0.89 -0.75 4.18 4.63 3m34A1 ILE 406 HB -0.25 -0.06 0.08 -0.04 1.89 1.62 3m34A1 ILE 406 HG12 -0.17 -0.01 -0.10 -0.04 1.49 1.16 3m34A1 ILE 406 HG13 -1.74 0.05 -0.17 -0.04 1.21 -0.69 3m34A1 ILE 406 HG23 -0.02 -0.01 -0.30 -0.04 0.93 0.57 3m34A1 ILE 406 HD13 -0.19 -0.02 -0.07 -0.04 0.88 0.56 3m34A1 PHE 407 H 0.17 0.12 0.13 -0.55 8.34 8.20 3m34A1 PHE 407 HA 0.17 0.28 0.90 -0.75 4.62 5.22 3m34A1 PHE 407 HB2 0.24 0.21 0.01 -0.04 3.15 3.57 3m34A1 PHE 407 HB3 0.20 -0.04 -0.08 -0.04 3.06 3.10 3m34A1 PHE 407 HD2 0.13 0.16 0.04 -0.04 7.28 7.57 3m34A1 PHE 407 HE2 -0.17 0.07 -0.07 -0.04 7.38 7.17 3m34A1 PHE 407 HZ 0.00 -0.06 -0.21 -0.04 7.32 7.01 3m34A1 LEU 408 H 0.34 0.63 0.12 -0.55 8.37 8.92 3m34A1 LEU 408 HA 0.28 0.28 0.73 -0.75 4.35 4.89 3m34A1 LEU 408 HB2 0.49 -0.10 -0.00 -0.04 1.64 1.99 3m34A1 LEU 408 HB3 0.67 -0.06 0.00 -0.04 1.64 2.21 3m34A1 LEU 408 HG 0.35 0.06 -0.47 -0.04 1.64 1.54 3m34A1 LEU 408 HD13 0.53 -0.04 -0.11 -0.04 0.93 1.26 3m34A1 LEU 408 HD23 0.46 0.04 -0.00 -0.04 0.89 1.35 3m34A1 PRO 409 HA -0.33 0.37 0.68 -0.51 4.44 4.66 3m34A1 PRO 409 HB2 -0.47 -0.11 -0.01 -0.04 2.28 1.65 3m34A1 PRO 409 HB3 -0.34 0.01 -0.01 -0.04 2.02 1.63 3m34A1 PRO 409 HG2 -0.40 -0.12 0.12 -0.04 2.03 1.59 3m34A1 PRO 409 HG3 -0.16 0.12 0.02 -0.04 2.03 1.97 3m34A1 PRO 409 HD2 0.02 0.44 0.33 -0.04 3.68 4.43 3m34A1 PRO 409 HD3 0.12 0.21 -0.26 -0.04 3.65 3.68 3m34A1 PHE 410 H -0.61 0.44 0.53 -0.55 8.34 8.15 3m34A1 PHE 410 HA 0.03 0.33 0.84 -0.75 4.62 5.06 3m34A1 PHE 410 HB2 0.14 -0.04 0.02 -0.04 3.15 3.23 3m34A1 PHE 410 HB3 0.16 0.06 -0.01 -0.04 3.06 3.23 3m34A1 PHE 410 HD2 -0.32 0.07 -0.31 -0.04 7.28 6.68 3m34A1 PHE 410 HE2 -0.04 -0.04 -0.28 -0.04 7.38 6.98 3m34A1 PHE 410 HZ -0.04 0.10 -0.24 -0.04 7.32 7.09 3m34A1 SER 411 H 0.02 0.65 0.40 -0.55 8.46 8.99 3m34A1 SER 411 HA -0.16 0.16 0.95 -0.75 4.49 4.69 3m34A1 SER 411 HB2 -0.25 -0.03 0.14 -0.04 3.95 3.77 3m34A1 SER 411 HB3 -0.05 -0.04 0.02 -0.04 3.93 3.82 3m34A1 ALA 412 H 0.05 0.28 0.38 -0.55 8.40 8.57 3m34A1 ALA 412 HA 0.16 0.37 1.21 -0.75 4.34 5.32 3m34A1 ALA 412 HB3 0.20 -0.03 -0.08 -0.04 1.41 1.46 3m34A1 THR 413 H 0.31 0.75 0.40 -0.55 8.28 9.19 3m34A1 THR 413 HA 0.01 -0.03 0.37 -0.75 4.39 3.99 3m34A1 THR 413 HB 0.10 0.11 0.08 -0.04 4.32 4.57 3m34A1 THR 413 HG23 0.31 0.07 -0.33 -0.04 1.22 1.23 3m34A1 PHE 414 H -0.06 0.12 0.14 -0.55 8.34 7.99 3m34A1 PHE 414 HA 0.12 0.13 0.64 -0.75 4.62 4.76 3m34A1 PHE 414 HB2 -0.11 -0.08 0.12 -0.04 3.15 3.04 3m34A1 PHE 414 HB3 -0.11 0.06 0.13 -0.04 3.06 3.09 3m34A1 PHE 414 HD2 -0.02 0.01 -0.05 -0.04 7.28 7.19 3m34A1 PHE 414 HE2 -0.29 0.02 -0.07 -0.04 7.38 7.00 3m34A1 PHE 414 HZ -0.15 0.01 -0.01 -0.04 7.32 7.13 3m34A1 PHE 415 H 0.35 0.79 0.21 -0.55 8.34 9.14 3m34A1 PHE 415 HA -0.28 0.09 0.23 -0.75 4.62 3.91 3m34A1 PHE 415 HB2 0.09 0.09 -0.14 -0.04 3.15 3.15 3m34A1 PHE 415 HB3 -0.03 0.05 -0.04 -0.04 3.06 2.99 3m34A1 PHE 415 HD2 -0.40 0.06 -0.01 -0.04 7.28 6.89 3m34A1 PHE 415 HE2 -0.21 0.05 -0.11 -0.04 7.38 7.06 3m34A1 PHE 415 HZ 0.02 0.02 -0.41 -0.04 7.32 6.91 3m34A1 ILE 416 H -0.13 0.19 -0.21 -0.55 8.25 7.56 3m34A1 ILE 416 HA -0.33 -0.01 0.36 -0.75 4.18 3.44 3m34A1 ILE 416 HB -0.33 0.01 -0.18 -0.04 1.89 1.35 3m34A1 ILE 416 HG12 -0.31 0.27 -0.14 -0.04 1.49 1.26 3m34A1 ILE 416 HG13 -0.38 -0.00 -0.12 -0.04 1.21 0.67 3m34A1 ILE 416 HG23 -1.26 -0.00 -0.03 -0.04 0.93 -0.40 3m34A1 ILE 416 HD13 -0.16 -0.03 -0.04 -0.04 0.88 0.60 3m34A1 PHE 417 H -0.24 0.25 -0.36 -0.55 8.34 7.44 3m34A1 PHE 417 HA 0.05 0.11 0.64 -0.75 4.62 4.66 3m34A1 PHE 417 HB2 -0.07 0.01 0.12 -0.04 3.15 3.17 3m34A1 PHE 417 HB3 -0.26 -0.03 0.16 -0.04 3.06 2.90 3m34A1 PHE 417 HD2 -0.02 -0.02 -0.05 -0.04 7.28 7.16 3m34A1 PHE 417 HE2 -0.03 0.04 -0.03 -0.04 7.38 7.31 3m34A1 PHE 417 HZ -0.65 0.04 -0.06 -0.04 7.32 6.61 3m34A1 SER 418 H -0.13 0.44 -0.47 -0.55 8.46 7.75 3m34A1 SER 418 HA 0.01 0.07 0.39 -0.75 4.49 4.21 3m34A1 SER 418 HB2 -0.51 0.02 -0.01 -0.04 3.95 3.40 3m34A1 SER 418 HB3 -1.22 -0.01 0.04 -0.04 3.93 2.71 3m34A1 GLU 419 H 0.02 0.36 -0.32 -0.55 8.60 8.11 3m34A1 GLU 419 HA -0.04 0.05 0.34 -0.75 4.29 3.89 3m34A1 GLU 419 HB2 0.09 0.06 0.04 -0.04 2.09 2.24 3m34A1 GLU 419 HB3 -0.05 -0.00 0.02 -0.04 1.99 1.92 3m34A1 GLU 419 HG2 -0.09 -0.02 -0.00 -0.04 2.34 2.18 3m34A1 GLU 419 HG3 -0.09 0.14 0.10 -0.04 2.34 2.45 3m34A1 TYR 420 H 0.34 0.34 -0.40 -0.55 8.29 8.01 3m34A1 TYR 420 HA -0.08 0.07 0.54 -0.75 4.56 4.34 3m34A1 TYR 420 HB2 0.04 0.22 0.12 -0.04 3.06 3.40 3m34A1 TYR 420 HB3 -0.01 -0.14 0.03 -0.04 2.98 2.82 3m34A1 TYR 420 HD2 0.04 -0.05 0.02 -0.04 7.15 7.12 3m34A1 TYR 420 HE2 -0.01 0.02 -0.00 -0.04 6.85 6.81 3m34A1 LEU 421 H 0.10 0.43 -0.32 -0.55 8.37 8.03 3m34A1 LEU 421 HA -0.08 0.11 0.77 -0.75 4.35 4.40 3m34A1 LEU 421 HB2 0.26 0.04 0.07 -0.04 1.64 1.97 3m34A1 LEU 421 HB3 0.19 0.01 -0.47 -0.04 1.64 1.32 3m34A1 LEU 421 HG 0.23 -0.03 0.00 -0.04 1.64 1.80 3m34A1 LEU 421 HD13 0.37 0.02 -0.24 -0.04 0.93 1.03 3m34A1 LEU 421 HD23 0.39 -0.01 -0.11 -0.04 0.89 1.11 3m34A1 LYS 422 H -0.05 0.21 -0.16 -0.55 8.42 7.86 3m34A1 LYS 422 HA -0.07 0.04 0.25 -0.75 4.32 3.79 3m34A1 LYS 422 HB2 -0.16 -0.01 0.03 -0.04 1.87 1.70 3m34A1 LYS 422 HB3 -0.15 0.08 0.09 -0.04 1.79 1.77 3m34A1 LYS 422 HG2 -0.27 -0.03 -0.07 -0.04 1.46 1.05 3m34A1 LYS 422 HG3 -0.22 0.00 -0.28 -0.04 1.46 0.92 3m34A1 LYS 422 HD2 -0.53 -0.02 -0.02 -0.04 1.69 1.08 3m34A1 LYS 422 HD3 -0.91 -0.05 -0.10 -0.04 1.68 0.58 3m34A1 LYS 422 HE2 -0.67 0.12 -0.16 -0.04 2.99 2.25 3m34A1 LYS 422 HE3 -0.40 -0.05 -0.11 -0.04 2.99 2.39 3m34A1 PRO 423 HA -0.03 0.10 0.32 -0.51 4.44 4.32 3m34A1 PRO 423 HB2 0.25 0.01 -0.05 -0.04 2.28 2.45 3m34A1 PRO 423 HB3 0.04 0.02 0.03 -0.04 2.02 2.07 3m34A1 PRO 423 HG2 -0.14 0.02 -0.01 -0.04 2.03 1.86 3m34A1 PRO 423 HG3 -0.09 0.04 -0.01 -0.04 2.03 1.92 3m34A1 PRO 423 HD2 -0.45 0.10 -0.29 -0.04 3.68 3.00 3m34A1 PRO 423 HD3 -0.20 0.12 -0.05 -0.04 3.65 3.48 3m34A1 ALA 424 H 0.19 0.26 -0.23 -0.55 8.40 8.07 3m34A1 ALA 424 HA 0.15 0.06 0.56 -0.75 4.34 4.35 3m34A1 ALA 424 HB3 0.24 0.03 -0.06 -0.04 1.41 1.58 3m34A1 ALA 425 H 0.08 0.41 -0.09 -0.55 8.40 8.25 3m34A1 ALA 425 HA 0.07 0.08 0.45 -0.75 4.34 4.18 3m34A1 ALA 425 HB3 -0.34 -0.00 -0.01 -0.04 1.41 1.02 3m34A1 ARG 426 H -0.07 0.44 -0.31 -0.55 8.46 7.97 3m34A1 ARG 426 HA -0.08 0.11 0.39 -0.75 4.34 3.99 3m34A1 ARG 426 HB2 -0.12 0.00 0.07 -0.04 1.90 1.82 3m34A1 ARG 426 HB3 -0.03 0.09 0.04 -0.04 1.80 1.86 3m34A1 ARG 426 HG2 -0.03 0.00 -0.09 -0.04 1.67 1.52 3m34A1 ARG 426 HG3 -0.09 0.06 -0.00 -0.04 1.67 1.59 3m34A1 ARG 426 HD2 -0.09 -0.06 -0.05 -0.04 3.22 2.97 3m34A1 ARG 426 HD3 -0.05 -0.04 -0.05 -0.04 3.22 3.03 3m34A1 ILE 427 H 0.06 0.24 -0.26 -0.55 8.25 7.74 3m34A1 ILE 427 HA 0.07 -0.00 0.51 -0.75 4.18 4.00 3m34A1 ILE 427 HB 0.11 0.09 0.15 -0.04 1.89 2.19 3m34A1 ILE 427 HG12 0.05 0.04 0.04 -0.04 1.49 1.58 3m34A1 ILE 427 HG13 0.07 -0.12 0.01 -0.04 1.21 1.13 3m34A1 ILE 427 HG23 0.10 0.00 -0.10 -0.04 0.93 0.89 3m34A1 ILE 427 HD13 0.05 0.02 -0.09 -0.04 0.88 0.82 3m34A1 ALA 428 H 0.17 0.34 -0.20 -0.55 8.40 8.16 3m34A1 ALA 428 HA 0.19 0.01 0.47 -0.75 4.34 4.25 3m34A1 ALA 428 HB3 0.32 0.02 0.12 -0.04 1.41 1.82 3m34A1 ALA 429 H 0.16 0.28 -0.21 -0.55 8.40 8.08 3m34A1 ALA 429 HA 0.17 0.16 0.49 -0.75 4.34 4.41 3m34A1 ALA 429 HB3 0.17 0.01 0.08 -0.04 1.41 1.63 3m34A1 LEU 430 H 0.08 0.47 -0.06 -0.55 8.37 8.32 3m34A1 LEU 430 HA 0.06 -0.05 0.31 -0.75 4.35 3.92 3m34A1 LEU 430 HB2 0.06 0.10 0.19 -0.04 1.64 1.95 3m34A1 LEU 430 HB3 0.06 -0.12 0.11 -0.04 1.64 1.65 3m34A1 LEU 430 HG 0.03 0.09 0.02 -0.04 1.64 1.74 3m34A1 LEU 430 HD13 0.02 -0.05 -0.12 -0.04 0.93 0.74 3m34A1 LEU 430 HD23 0.03 -0.03 -0.01 -0.04 0.89 0.84 3m34A1 LYS 432 HA 0.08 -0.03 0.41 -0.75 4.32 4.02 3m34A1 LYS 432 HB2 0.07 -0.13 0.27 -0.04 1.87 2.04 3m34A1 LYS 432 HB3 0.07 0.27 0.36 -0.04 1.79 2.45 3m34A1 LYS 432 HG2 0.07 -0.02 0.09 -0.04 1.46 1.56 3m34A1 LYS 432 HG3 0.07 0.10 -0.06 -0.04 1.46 1.52 3m34A1 LYS 432 HD2 0.05 -0.10 0.06 -0.04 1.69 1.66 3m34A1 LYS 432 HD3 0.06 -0.05 0.11 -0.04 1.68 1.76 3m34A1 LYS 432 HE2 0.06 0.17 0.09 -0.04 2.99 3.27 3m34A1 LYS 432 HE3 0.05 -0.06 0.00 -0.04 2.99 2.94 3m34A1 ILE 433 H 0.11 0.39 0.28 -0.55 8.25 8.47 3m34A1 ILE 433 HA 0.09 0.17 0.78 -0.75 4.18 4.47 3m34A1 ILE 433 HB 0.11 0.01 -0.03 -0.04 1.89 1.93 3m34A1 ILE 433 HG12 0.14 0.17 0.22 -0.04 1.49 1.98 3m34A1 ILE 433 HG13 0.16 -0.10 -0.01 -0.04 1.21 1.22 3m34A1 ILE 433 HG23 0.11 0.01 -0.05 -0.04 0.93 0.96 3m34A1 ILE 433 HD13 0.19 -0.02 -0.01 -0.04 0.88 0.99 3m34A1 LYS 434 H 0.07 0.22 0.08 -0.55 8.42 8.24 3m34A1 LYS 434 HA -0.13 0.12 0.69 -0.75 4.32 4.25 3m34A1 LYS 434 HB2 0.11 0.04 0.23 -0.04 1.87 2.20 3m34A1 LYS 434 HB3 0.06 -0.05 0.02 -0.04 1.79 1.78 3m34A1 LYS 434 HG2 0.12 -0.01 0.00 -0.04 1.46 1.53 3m34A1 LYS 434 HG3 0.20 0.03 0.01 -0.04 1.46 1.65 3m34A1 LYS 434 HD2 0.06 -0.03 -0.69 -0.04 1.69 0.99 3m34A1 LYS 434 HD3 0.11 0.10 -0.20 -0.04 1.68 1.65 3m34A1 LYS 434 HE2 0.11 -0.17 -0.10 -0.04 2.99 2.78 3m34A1 LYS 434 HE3 0.11 0.00 -0.23 -0.04 2.99 2.84 3m34A1 HIS 435 H -0.20 0.39 0.10 -0.55 8.41 8.15 3m34A1 HIS 435 HA -0.34 0.26 0.73 -0.75 4.63 4.54 3m34A1 HIS 435 HB2 -0.06 0.09 -0.21 -0.04 3.26 3.03 3m34A1 HIS 435 HB3 0.03 -0.02 0.00 -0.04 3.20 3.17 3m34A1 HIS 435 HD2 -0.48 0.12 -0.13 -0.04 6.97 6.44 3m34A1 HIS 435 HE1 -0.06 0.10 -0.02 -0.04 7.75 7.72 3m34A1 PHE 436 H 0.07 0.64 0.31 -0.55 8.34 8.80 3m34A1 PHE 436 HA 0.11 0.25 0.94 -0.75 4.62 5.16 3m34A1 PHE 436 HB2 0.40 -0.02 0.11 -0.04 3.15 3.60 3m34A1 PHE 436 HB3 0.19 -0.09 -0.02 -0.04 3.06 3.10 3m34A1 PHE 436 HD2 0.21 0.02 -0.14 -0.04 7.28 7.33 3m34A1 PHE 436 HE2 0.25 0.10 -0.23 -0.04 7.38 7.47 3m34A1 PHE 436 HZ 0.21 0.12 -0.15 -0.04 7.32 7.46 3m34A1 PHE 437 H 0.27 0.69 0.47 -0.55 8.34 9.22 3m34A1 PHE 437 HA -0.07 0.22 1.00 -0.75 4.62 5.02 3m34A1 PHE 437 HB2 -0.20 -0.00 0.23 -0.04 3.15 3.14 3m34A1 PHE 437 HB3 -0.94 -0.11 0.00 -0.04 3.06 1.97 3m34A1 PHE 437 HD2 0.02 0.07 -0.08 -0.04 7.28 7.24 3m34A1 PHE 437 HE2 -0.11 0.05 -0.10 -0.04 7.38 7.18 3m34A1 PHE 437 HZ -0.31 0.05 -0.13 -0.04 7.32 6.89 3m34A1 ILE 438 H -0.05 0.90 0.44 -0.55 8.25 8.99 3m34A1 ILE 438 HA 0.02 0.12 0.93 -0.75 4.18 4.50 3m34A1 ILE 438 HB 0.11 -0.09 0.14 -0.04 1.89 2.01 3m34A1 ILE 438 HG12 0.19 0.13 -0.19 -0.04 1.49 1.58 3m34A1 ILE 438 HG13 -0.11 0.02 -0.17 -0.04 1.21 0.91 3m34A1 ILE 438 HG23 0.06 -0.02 -0.13 -0.04 0.93 0.79 3m34A1 ILE 438 HD13 0.15 0.02 -0.32 -0.04 0.88 0.70 3m34A1 PHE 439 H 0.05 0.81 0.33 -0.55 8.34 8.97 3m34A1 PHE 439 HA 0.16 0.37 1.00 -0.75 4.62 5.39 3m34A1 PHE 439 HB2 -0.26 0.04 0.17 -0.04 3.15 3.05 3m34A1 PHE 439 HB3 0.07 -0.16 -0.00 -0.04 3.06 2.93 3m34A1 PHE 439 HD2 -0.09 0.03 -0.18 -0.04 7.28 7.00 3m34A1 PHE 439 HE2 -0.39 0.04 -0.14 -0.04 7.38 6.85 3m34A1 PHE 439 HZ 0.01 0.08 -0.11 -0.04 7.32 7.26 3m34A1 THR 440 H 0.36 0.38 0.21 -0.55 8.28 8.68 3m34A1 THR 440 HA 0.19 0.16 0.80 -0.75 4.39 4.79 3m34A1 THR 440 HB 0.32 -0.07 0.02 -0.04 4.32 4.54 3m34A1 THR 440 HG23 0.19 0.07 -0.07 -0.04 1.22 1.37 3m34A1 HIS 441 H 0.10 0.13 0.09 -0.55 8.41 8.18 3m34A1 HIS 441 HA -0.03 -0.16 0.45 -0.75 4.63 4.13 3m34A1 HIS 441 HB2 -0.13 0.10 -0.08 -0.04 3.26 3.11 3m34A1 HIS 441 HB3 -0.32 0.07 0.28 -0.04 3.20 3.19 3m34A1 HIS 441 HD2 -0.41 0.03 0.08 -0.04 6.97 6.63 3m34A1 HIS 441 HE1 0.21 0.31 -0.03 -0.04 7.75 8.20 3m34A1 ASP 442 H 0.04 -0.00 0.16 -0.55 8.40 8.06 3m34A1 ASP 442 HA 0.28 0.13 -0.18 -0.75 4.63 4.10 3m34A1 ASP 442 HB2 0.03 0.04 -0.01 -0.04 2.71 2.73 3m34A1 ASP 442 HB3 0.00 0.12 -0.11 -0.04 2.70 2.68 3m34A1 SER 443 H 0.01 0.09 -0.07 -0.55 8.46 7.94 3m34A1 SER 443 HA -0.03 0.39 0.79 -0.75 4.49 4.90 3m34A1 SER 443 HB2 -0.07 0.14 0.25 -0.04 3.95 4.23 3m34A1 SER 443 HB3 0.03 0.07 -0.28 -0.04 3.93 3.70 3m34A1 ILE 444 H -0.22 0.33 0.16 -0.55 8.25 7.97 3m34A1 ILE 444 HA -0.22 0.11 0.61 -0.75 4.18 3.92 3m34A1 ILE 444 HB -0.38 0.01 0.03 -0.04 1.89 1.51 3m34A1 ILE 444 HG12 -0.36 0.05 0.08 -0.04 1.49 1.22 3m34A1 ILE 444 HG13 -0.87 -0.10 -0.09 -0.04 1.21 0.11 3m34A1 ILE 444 HG23 -0.44 0.04 0.03 -0.04 0.93 0.53 3m34A1 ILE 444 HD13 -0.22 0.03 -0.14 -0.04 0.88 0.51 3m34A1 GLY 445 H -0.35 0.05 -0.35 -0.55 8.43 7.23 3m34A1 GLY 445 HA2 -0.41 0.08 0.49 -0.51 4.01 3.66 3m34A1 GLY 445 HA3 0.00 -0.05 0.26 -0.51 4.01 3.71 3m34A1 VAL 446 H -0.13 0.52 -0.37 -0.55 8.24 7.71 3m34A1 VAL 446 HA -0.09 -0.04 0.55 -0.75 4.13 3.80 3m34A1 VAL 446 HB -0.09 0.09 0.08 -0.04 2.12 2.16 3m34A1 VAL 446 HG13 -0.05 -0.00 -0.21 -0.04 0.97 0.67 3m34A1 VAL 446 HG23 -0.05 0.01 0.13 -0.04 0.95 1.00 3m34A1 GLY 447 H -0.13 0.47 -0.12 -0.55 8.43 8.10 3m34A1 GLY 447 HA2 -0.07 0.11 0.32 -0.51 4.01 3.85 3m34A1 GLY 447 HA3 -0.05 -0.07 0.55 -0.51 4.01 3.94 3m34A1 GLU 448 H -0.03 0.17 0.26 -0.55 8.60 8.46 3m34A1 GLU 448 HA -0.02 -0.05 0.17 -0.75 4.29 3.63 3m34A1 GLU 448 HB2 -0.02 0.03 0.11 -0.04 2.09 2.16 3m34A1 GLU 448 HB3 -0.02 0.06 -0.02 -0.04 1.99 1.97 3m34A1 GLU 448 HG2 -0.01 0.06 -0.04 -0.04 2.34 2.31 3m34A1 GLU 448 HG3 -0.01 -0.12 -0.29 -0.04 2.34 1.89 3m34A1 ASP 449 H -0.07 0.12 -0.27 -0.55 8.40 7.63 3m34A1 ASP 449 HA -0.14 0.09 0.41 -0.75 4.63 4.23 3m34A1 ASP 449 HB2 -0.13 -0.01 -0.05 -0.04 2.71 2.48 3m34A1 ASP 449 HB3 -0.48 0.01 -0.03 -0.04 2.70 2.16 3m34A1 GLY 450 H -0.05 0.31 -0.36 -0.55 8.43 7.79 3m34A1 GLY 450 HA2 -0.01 0.08 -0.11 -0.51 4.01 3.45 3m34A1 GLY 450 HA3 -0.01 0.16 0.19 -0.51 4.01 3.83 3m34A1 PRO 451 HA -0.01 -0.00 0.03 -0.51 4.44 3.95 3m34A1 PRO 451 HB2 -0.09 0.07 -0.04 -0.04 2.28 2.18 3m34A1 PRO 451 HB3 0.05 0.08 -0.13 -0.04 2.02 1.98 3m34A1 PRO 451 HG2 -0.03 0.05 0.04 -0.04 2.03 2.05 3m34A1 PRO 451 HG3 0.01 0.16 -0.01 -0.04 2.03 2.14 3m34A1 PRO 451 HD2 0.00 0.19 0.11 -0.04 3.68 3.95 3m34A1 PRO 451 HD3 0.02 -0.01 -0.11 -0.04 3.65 3.51 3m34A1 THR 452 H 0.02 0.19 -0.16 -0.55 8.28 7.79 3m34A1 THR 452 HA -0.06 0.10 0.51 -0.75 4.39 4.19 3m34A1 THR 452 HB 0.11 0.00 0.06 -0.04 4.32 4.46 3m34A1 THR 452 HG23 -0.00 -0.00 0.02 -0.04 1.22 1.20 3m34A1 HIS 453 H 0.11 0.53 -0.41 -0.55 8.41 8.10 3m34A1 HIS 453 HA -0.21 0.12 0.71 -0.75 4.63 4.50 3m34A1 HIS 453 HB2 -0.07 0.11 -0.22 -0.04 3.26 3.04 3m34A1 HIS 453 HB3 -0.16 -0.09 0.07 -0.04 3.20 2.98 3m34A1 HIS 453 HD2 0.02 -0.07 -0.00 -0.04 6.97 6.88 3m34A1 HIS 453 HE1 0.17 0.02 -0.08 -0.04 7.75 7.82 3m34A1 GLN 454 H -0.04 0.37 -0.31 -0.55 8.47 7.94 3m34A1 GLN 454 HA -0.08 0.21 0.73 -0.75 4.36 4.46 3m34A1 GLN 454 HB2 -0.06 -0.07 0.00 -0.04 2.15 1.99 3m34A1 GLN 454 HB3 -0.12 -0.03 -0.15 -0.04 2.02 1.68 3m34A1 GLN 454 HG2 -0.11 -0.03 -0.03 -0.04 2.40 2.19 3m34A1 GLN 454 HG3 -0.05 0.13 -0.39 -0.04 2.39 2.04 3m34A1 GLN 454 HE21 -0.05 0.51 0.18 -0.04 6.97 7.56 3m34A1 GLN 454 HE22 -0.08 -0.12 0.07 -0.04 7.69 7.52 3m34A1 PRO 455 HA -0.16 0.01 0.37 -0.51 4.44 4.15 3m34A1 PRO 455 HB2 0.01 0.22 -0.09 -0.04 2.28 2.38 3m34A1 PRO 455 HB3 -0.38 -0.08 -0.05 -0.04 2.02 1.47 3m34A1 PRO 455 HG2 0.17 0.04 -0.07 -0.04 2.03 2.13 3m34A1 PRO 455 HG3 -0.14 -0.08 -0.10 -0.04 2.03 1.67 3m34A1 PRO 455 HD2 -0.03 -0.06 -0.08 -0.04 3.68 3.47 3m34A1 PRO 455 HD3 -0.08 0.38 0.12 -0.04 3.65 4.03 3m34A1 ILE 456 H -0.11 -0.09 0.21 -0.55 8.25 7.72 3m34A1 ILE 456 HA -0.07 0.17 0.78 -0.75 4.18 4.31 3m34A1 ILE 456 HB -0.07 -0.05 0.10 -0.04 1.89 1.83 3m34A1 ILE 456 HG12 -0.02 0.15 -0.48 -0.04 1.49 1.10 3m34A1 ILE 456 HG13 -0.01 -0.03 -0.01 -0.04 1.21 1.11 3m34A1 ILE 456 HG23 -0.14 0.02 -0.15 -0.04 0.93 0.62 3m34A1 ILE 456 HD13 -0.18 0.03 -0.03 -0.04 0.88 0.66 3m34A1 GLU 457 H -0.07 0.12 0.22 -0.55 8.60 8.33 3m34A1 GLU 457 HA -0.04 0.26 0.79 -0.75 4.29 4.55 3m34A1 GLU 457 HB2 -0.05 0.07 0.16 -0.04 2.09 2.23 3m34A1 GLU 457 HB3 -0.03 0.06 0.07 -0.04 1.99 2.05 3m34A1 GLU 457 HG2 -0.08 0.00 -0.17 -0.04 2.34 2.05 3m34A1 GLU 457 HG3 -0.04 0.09 -0.01 -0.04 2.34 2.35 3m34A1 GLN 458 H -0.22 0.01 -0.08 -0.55 8.47 7.63 3m34A1 GLN 458 HA -0.16 0.15 0.28 -0.75 4.36 3.88 3m34A1 GLN 458 HB2 -1.18 -0.05 0.02 -0.04 2.15 0.90 3m34A1 GLN 458 HB3 -0.90 0.12 -0.02 -0.04 2.02 1.17 3m34A1 GLN 458 HG2 -0.53 0.20 -0.00 -0.04 2.40 2.02 3m34A1 GLN 458 HG3 -0.26 0.06 -0.01 -0.04 2.39 2.14 3m34A1 GLN 458 HE21 -0.08 0.02 0.05 -0.04 6.97 6.91 3m34A1 GLN 458 HE22 -0.13 0.13 0.02 -0.04 7.69 7.67 3m34A1 LEU 459 H 0.03 0.07 -0.21 -0.55 8.37 7.72 3m34A1 LEU 459 HA 0.35 0.12 0.43 -0.75 4.35 4.50 3m34A1 LEU 459 HB2 0.26 -0.00 -0.01 -0.04 1.64 1.84 3m34A1 LEU 459 HB3 0.08 -0.01 -0.11 -0.04 1.64 1.56 3m34A1 LEU 459 HG 0.06 0.03 -0.15 -0.04 1.64 1.53 3m34A1 LEU 459 HD13 0.11 0.02 -0.09 -0.04 0.93 0.93 3m34A1 LEU 459 HD23 0.08 -0.00 -0.14 -0.04 0.89 0.79 3m34A1 SER 460 H -0.03 0.11 -0.31 -0.55 8.46 7.68 3m34A1 SER 460 HA -0.12 0.01 0.47 -0.75 4.49 4.10 3m34A1 SER 460 HB2 -0.09 0.16 0.12 -0.04 3.95 4.10 3m34A1 SER 460 HB3 -0.12 0.02 0.04 -0.04 3.93 3.83 3m34A1 THR 461 H -0.07 0.26 -0.21 -0.55 8.28 7.71 3m34A1 THR 461 HA -0.17 0.05 0.33 -0.75 4.39 3.84 3m34A1 THR 461 HB -0.17 0.06 0.14 -0.04 4.32 4.30 3m34A1 THR 461 HG23 -0.50 0.01 -0.18 -0.04 1.22 0.51 3m34A1 PHE 462 H 0.16 0.40 -0.09 -0.55 8.34 8.25 3m34A1 PHE 462 HA -0.21 0.14 0.31 -0.75 4.62 4.11 3m34A1 PHE 462 HB2 0.11 -0.06 0.04 -0.04 3.15 3.21 3m34A1 PHE 462 HB3 0.07 0.04 -0.09 -0.04 3.06 3.04 3m34A1 PHE 462 HD2 -0.50 0.12 -0.06 -0.04 7.28 6.80 3m34A1 PHE 462 HE2 -0.41 -0.02 -0.12 -0.04 7.38 6.79 3m34A1 PHE 462 HZ -0.16 -0.01 -0.12 -0.04 7.32 6.99 3m34A1 ARG 463 H 0.04 0.47 -0.20 -0.55 8.46 8.22 3m34A1 ARG 463 HA 0.05 0.04 0.46 -0.75 4.34 4.14 3m34A1 ARG 463 HB2 -0.21 0.01 0.09 -0.04 1.90 1.75 3m34A1 ARG 463 HB3 -0.31 -0.04 -0.02 -0.04 1.80 1.39 3m34A1 ARG 463 HG2 -0.01 -0.11 0.03 -0.04 1.67 1.54 3m34A1 ARG 463 HG3 0.01 0.10 0.04 -0.04 1.67 1.77 3m34A1 ARG 463 HD2 -0.22 -0.05 -0.20 -0.04 3.22 2.72 3m34A1 ARG 463 HD3 -0.75 -0.00 -0.09 -0.04 3.22 2.33 3m34A1 ALA 464 H -0.10 0.43 -0.29 -0.55 8.40 7.90 3m34A1 ALA 464 HA -0.05 0.03 0.24 -0.75 4.34 3.81 3m34A1 ALA 464 HB3 -0.10 -0.02 0.09 -0.04 1.41 1.34 3m34A1 PRO 466 HA 0.05 -0.10 0.04 -0.51 4.44 3.92 3m34A1 PRO 466 HB2 0.03 0.05 -0.10 -0.04 2.28 2.22 3m34A1 PRO 466 HB3 0.03 -0.08 0.06 -0.04 2.02 2.00 3m34A1 PRO 466 HG2 0.00 -0.06 0.04 -0.04 2.03 1.97 3m34A1 PRO 466 HG3 0.00 -0.02 0.23 -0.04 2.03 2.21 3m34A1 PRO 466 HD2 -0.03 -0.07 -0.16 -0.04 3.68 3.37 3m34A1 PRO 466 HD3 -0.04 0.10 -1.26 -0.04 3.65 2.41 3m34A1 ASN 467 H 0.07 0.04 0.04 -0.55 8.53 8.13 3m34A1 ASN 467 HA 0.07 -0.06 0.29 -0.75 4.76 4.30 3m34A1 ASN 467 HB2 0.10 0.12 -0.14 -0.04 2.88 2.91 3m34A1 ASN 467 HB3 0.08 0.12 0.28 -0.04 2.79 3.22 3m34A1 ASN 467 HD21 0.05 -0.14 -0.03 -0.04 7.03 6.88 3m34A1 ASN 467 HD22 0.07 0.54 -0.05 -0.04 7.74 8.26 3m34A1 PHE 468 H 0.14 0.06 -0.33 -0.55 8.34 7.66 3m34A1 PHE 468 HA 0.01 0.35 0.67 -0.75 4.62 4.90 3m34A1 PHE 468 HB2 0.00 0.24 -0.40 -0.04 3.15 2.95 3m34A1 PHE 468 HB3 0.02 -0.01 -0.04 -0.04 3.06 3.00 3m34A1 PHE 468 HD2 0.04 0.04 -0.24 -0.04 7.28 7.08 3m34A1 PHE 468 HE2 -0.18 -0.08 -0.12 -0.04 7.38 6.96 3m34A1 PHE 468 HZ -0.49 -0.10 -0.17 -0.04 7.32 6.52 3m34A1 LEU 469 H -0.25 0.63 0.20 -0.55 8.37 8.40 3m34A1 LEU 469 HA -0.16 -0.03 0.71 -0.75 4.35 4.11 3m34A1 LEU 469 HB2 -0.31 0.04 0.11 -0.04 1.64 1.44 3m34A1 LEU 469 HB3 -0.79 -0.12 -0.05 -0.04 1.64 0.63 3m34A1 LEU 469 HG -0.09 0.16 -0.07 -0.04 1.64 1.60 3m34A1 LEU 469 HD13 0.05 0.01 -0.10 -0.04 0.93 0.85 3m34A1 LEU 469 HD23 -0.10 -0.02 -0.11 -0.04 0.89 0.61 3m34A1 THR 470 H -0.22 0.07 0.10 -0.55 8.28 7.67 3m34A1 THR 470 HA -0.12 0.21 1.00 -0.75 4.39 4.73 3m34A1 THR 470 HB 0.02 -0.13 0.12 -0.04 4.32 4.29 3m34A1 THR 470 HG23 0.06 -0.02 -0.16 -0.04 1.22 1.07 3m34A1 PHE 471 H -0.25 0.74 0.29 -0.55 8.34 8.57 3m34A1 PHE 471 HA -0.10 0.37 0.99 -0.75 4.62 5.13 3m34A1 PHE 471 HB2 -0.58 0.07 0.24 -0.04 3.15 2.84 3m34A1 PHE 471 HB3 -0.17 -0.11 0.02 -0.04 3.06 2.76 3m34A1 PHE 471 HD2 -0.56 0.05 -0.08 -0.04 7.28 6.65 3m34A1 PHE 471 HE2 -0.20 0.06 -0.08 -0.04 7.38 7.11 3m34A1 PHE 471 HZ -0.11 0.06 -0.08 -0.04 7.32 7.14 3m34A1 ARG 472 H 0.08 0.63 0.26 -0.55 8.46 8.88 3m34A1 ARG 472 HA 0.02 0.33 1.02 -0.75 4.34 4.96 3m34A1 ARG 472 HB2 -0.01 0.05 -0.10 -0.04 1.90 1.80 3m34A1 ARG 472 HB3 0.03 -0.08 0.18 -0.04 1.80 1.89 3m34A1 ARG 472 HG2 0.02 -0.20 -0.04 -0.04 1.67 1.41 3m34A1 ARG 472 HG3 -0.01 0.20 0.04 -0.04 1.67 1.86 3m34A1 ARG 472 HD2 0.02 0.06 -0.08 -0.04 3.22 3.18 3m34A1 ARG 472 HD3 0.03 -0.04 -0.10 -0.04 3.22 3.07 3m34A1 PRO 473 HA 0.07 0.02 0.50 -0.51 4.44 4.51 3m34A1 PRO 473 HB2 0.04 0.04 -0.02 -0.04 2.28 2.30 3m34A1 PRO 473 HB3 0.06 0.10 -0.21 -0.04 2.02 1.92 3m34A1 PRO 473 HG2 0.05 -0.08 0.05 -0.04 2.03 2.01 3m34A1 PRO 473 HG3 0.10 0.11 -0.01 -0.04 2.03 2.19 3m34A1 PRO 473 HD2 0.07 0.37 0.15 -0.04 3.68 4.22 3m34A1 PRO 473 HD3 0.12 0.16 -0.19 -0.04 3.65 3.70 3m34A1 ALA 474 H 0.05 0.13 0.26 -0.55 8.40 8.30 3m34A1 ALA 474 HA 0.04 0.09 0.79 -0.75 4.34 4.51 3m34A1 ALA 474 HB3 0.03 -0.00 0.12 -0.04 1.41 1.52 3m34A1 ASP 475 H 0.04 0.09 0.04 -0.55 8.40 8.03 3m34A1 ASP 475 HA 0.01 0.23 0.32 -0.75 4.63 4.43 3m34A1 ASP 475 HB2 0.06 0.08 0.18 -0.04 2.71 2.99 3m34A1 ASP 475 HB3 0.11 0.29 -0.11 -0.04 2.70 2.94 3m34A1 GLY 476 H -0.06 0.33 0.12 -0.55 8.43 8.28 3m34A1 GLY 476 HA2 -0.33 0.10 0.29 -0.51 4.01 3.56 3m34A1 GLY 476 HA3 -0.53 0.17 0.28 -0.51 4.01 3.42 3m34A1 VAL 477 H 0.10 0.09 -0.14 -0.55 8.24 7.74 3m34A1 VAL 477 HA 0.15 0.18 0.47 -0.75 4.13 4.19 3m34A1 VAL 477 HB 0.08 -0.06 0.03 -0.04 2.12 2.13 3m34A1 VAL 477 HG13 0.02 0.04 -0.10 -0.04 0.97 0.89 3m34A1 VAL 477 HG23 0.11 0.02 -0.12 -0.04 0.95 0.92 3m34A1 GLU 478 H 0.06 0.01 -0.22 -0.55 8.60 7.90 3m34A1 GLU 478 HA 0.02 0.10 0.43 -0.75 4.29 4.08 3m34A1 GLU 478 HB2 0.06 -0.12 0.15 -0.04 2.09 2.14 3m34A1 GLU 478 HB3 0.07 0.08 0.05 -0.04 1.99 2.15 3m34A1 GLU 478 HG2 0.13 0.09 0.00 -0.04 2.34 2.53 3m34A1 GLU 478 HG3 0.11 -0.04 0.04 -0.04 2.34 2.40 3m34A1 ASN 479 H 0.02 0.27 -0.35 -0.55 8.53 7.93 3m34A1 ASN 479 HA 0.06 0.04 0.37 -0.75 4.76 4.47 3m34A1 ASN 479 HB2 -0.01 -0.02 0.05 -0.04 2.88 2.86 3m34A1 ASN 479 HB3 -0.00 0.15 0.07 -0.04 2.79 2.98 3m34A1 ASN 479 HD21 0.12 0.05 -0.06 -0.04 7.03 7.10 3m34A1 ASN 479 HD22 0.17 -0.03 0.08 -0.04 7.74 7.92 3m34A1 VAL 480 H 0.08 0.41 -0.15 -0.55 8.24 8.03 3m34A1 VAL 480 HA -0.01 0.10 0.53 -0.75 4.13 3.99 3m34A1 VAL 480 HB 0.01 0.01 0.21 -0.04 2.12 2.31 3m34A1 VAL 480 HG13 -0.44 0.01 -0.14 -0.04 0.97 0.36 3m34A1 VAL 480 HG23 0.23 0.08 0.05 -0.04 0.95 1.26 3m34A1 LYS 481 H -0.06 0.48 -0.04 -0.55 8.42 8.25 3m34A1 LYS 481 HA -0.15 0.09 0.35 -0.75 4.32 3.85 3m34A1 LYS 481 HB2 -0.07 -0.00 0.12 -0.04 1.87 1.88 3m34A1 LYS 481 HB3 -0.10 -0.07 0.02 -0.04 1.79 1.61 3m34A1 LYS 481 HG2 -0.10 0.04 0.02 -0.04 1.46 1.39 3m34A1 LYS 481 HG3 -0.08 0.07 0.06 -0.04 1.46 1.48 3m34A1 LYS 481 HD2 -0.07 -0.05 -0.13 -0.04 1.69 1.39 3m34A1 LYS 481 HD3 -0.13 -0.17 0.01 -0.04 1.68 1.35 3m34A1 LYS 481 HE2 -0.10 0.05 -0.01 -0.04 2.99 2.89 3m34A1 LYS 481 HE3 -0.06 0.03 -0.03 -0.04 2.99 2.89 3m34A1 ALA 482 H -0.14 0.46 -0.35 -0.55 8.40 7.82 3m34A1 ALA 482 HA -0.79 -0.00 0.36 -0.75 4.34 3.16 3m34A1 ALA 482 HB3 -0.62 0.02 0.06 -0.04 1.41 0.83 3m34A1 TRP 483 H 0.04 0.44 -0.13 -0.55 7.97 7.77 3m34A1 TRP 483 HA -0.00 0.04 0.46 -0.75 4.62 4.36 3m34A1 TRP 483 HB2 -0.23 0.07 0.18 -0.04 3.23 3.21 3m34A1 TRP 483 HB3 -0.11 0.05 -0.08 -0.04 3.23 3.05 3m34A1 TRP 483 HD1 -0.29 0.04 -0.05 -0.04 7.22 6.88 3m34A1 TRP 483 HE1 -0.77 -0.08 -0.07 -0.04 10.20 9.23 3m34A1 TRP 483 HE3 -0.38 0.00 -0.05 -0.04 7.59 7.12 3m34A1 TRP 483 HZ2 -0.59 -0.06 -0.14 -0.04 7.44 6.62 3m34A1 TRP 483 HZ3 -1.49 0.11 -0.13 -0.04 7.13 5.58 3m34A1 TRP 483 HH2 -0.12 0.05 -0.13 -0.04 7.19 6.95 3m34A1 GLN 484 H -0.13 0.46 -0.19 -0.55 8.47 8.06 3m34A1 GLN 484 HA 0.02 0.09 0.34 -0.75 4.36 4.06 3m34A1 GLN 484 HB2 -0.13 0.01 0.13 -0.04 2.15 2.12 3m34A1 GLN 484 HB3 -0.04 -0.01 0.03 -0.04 2.02 1.95 3m34A1 GLN 484 HG2 -0.18 0.08 -0.01 -0.04 2.40 2.24 3m34A1 GLN 484 HG3 -0.68 0.12 0.00 -0.04 2.39 1.78 3m34A1 GLN 484 HE21 -0.04 -0.06 -0.02 -0.04 6.97 6.80 3m34A1 GLN 484 HE22 0.05 0.14 -0.02 -0.04 7.69 7.82 3m34A1 ILE 485 H -0.11 0.39 -0.27 -0.55 8.25 7.71 3m34A1 ILE 485 HA 0.02 0.04 0.29 -0.75 4.18 3.78 3m34A1 ILE 485 HB -0.06 0.07 0.11 -0.04 1.89 1.98 3m34A1 ILE 485 HG12 0.02 -0.02 -0.03 -0.04 1.49 1.42 3m34A1 ILE 485 HG13 -0.04 0.04 0.01 -0.04 1.21 1.18 3m34A1 ILE 485 HG23 0.15 -0.00 -0.12 -0.04 0.93 0.92 3m34A1 ILE 485 HD13 0.03 -0.07 -0.23 -0.04 0.88 0.58 3m34A1 ALA 486 H -0.11 0.51 -0.09 -0.55 8.40 8.17 3m34A1 ALA 486 HA 0.14 0.01 0.34 -0.75 4.34 4.07 3m34A1 ALA 486 HB3 -0.01 -0.02 0.05 -0.04 1.41 1.39 3m34A1 LEU 487 H 0.04 0.59 -0.17 -0.55 8.37 8.28 3m34A1 LEU 487 HA 0.02 0.09 0.40 -0.75 4.35 4.11 3m34A1 LEU 487 HB2 -0.24 0.02 0.03 -0.04 1.64 1.41 3m34A1 LEU 487 HB3 -1.43 -0.03 -0.02 -0.04 1.64 0.12 3m34A1 LEU 487 HG 0.07 0.00 -0.01 -0.04 1.64 1.65 3m34A1 LEU 487 HD13 -0.12 -0.04 -0.10 -0.04 0.93 0.64 3m34A1 LEU 487 HD23 -0.22 0.01 -0.08 -0.04 0.89 0.57 3m34A1 ASN 488 H 0.04 0.25 -0.32 -0.55 8.53 7.94 3m34A1 ASN 488 HA 0.16 0.11 0.68 -0.75 4.76 4.96 3m34A1 ASN 488 HB2 0.07 0.04 0.10 -0.04 2.88 3.05 3m34A1 ASN 488 HB3 0.10 -0.10 0.07 -0.04 2.79 2.82 3m34A1 ASN 488 HD21 0.12 -0.11 -0.05 -0.04 7.03 6.95 3m34A1 ASN 488 HD22 0.07 -0.07 -0.04 -0.04 7.74 7.66 3m34A1 ALA 489 H 0.10 0.27 -0.28 -0.55 8.40 7.95 3m34A1 ALA 489 HA 0.08 -0.06 0.42 -0.75 4.34 4.02 3m34A1 ALA 489 HB3 0.09 -0.00 0.07 -0.04 1.41 1.53 3m34A1 ASP 490 H 0.07 -0.01 0.13 -0.55 8.40 8.04 3m34A1 ASP 490 HA 0.09 0.32 0.90 -0.75 4.63 5.19 3m34A1 ASP 490 HB2 0.07 0.06 0.21 -0.04 2.71 3.01 3m34A1 ASP 490 HB3 0.07 -0.03 0.07 -0.04 2.70 2.76 3m34A1 ILE 491 H 0.05 0.10 -0.22 -0.55 8.25 7.64 3m34A1 ILE 491 HA 0.04 0.28 0.68 -0.75 4.18 4.44 3m34A1 ILE 491 HB 0.01 0.30 -0.10 -0.04 1.89 2.06 3m34A1 ILE 491 HG12 0.03 -0.18 -0.08 -0.04 1.49 1.22 3m34A1 ILE 491 HG13 -0.01 0.04 -0.21 -0.04 1.21 0.99 3m34A1 ILE 491 HG23 0.05 -0.03 -0.16 -0.04 0.93 0.74 3m34A1 ILE 491 HD13 0.01 -0.05 -0.24 -0.04 0.88 0.55 3m34A1 PRO 492 HA -0.13 0.07 0.65 -0.51 4.44 4.52 3m34A1 PRO 492 HB2 -0.23 -0.12 0.07 -0.04 2.28 1.96 3m34A1 PRO 492 HB3 0.04 0.05 0.23 -0.04 2.02 2.30 3m34A1 PRO 492 HG2 0.01 -0.04 0.13 -0.04 2.03 2.09 3m34A1 PRO 492 HG3 0.17 -0.04 -0.25 -0.04 2.03 1.86 3m34A1 PRO 492 HD2 0.04 0.25 0.33 -0.04 3.68 4.26 3m34A1 PRO 492 HD3 0.06 0.26 0.19 -0.04 3.65 4.11 3m34A1 SER 493 H -0.16 0.40 0.36 -0.55 8.46 8.52 3m34A1 SER 493 HA -0.53 0.20 0.99 -0.75 4.49 4.39 3m34A1 SER 493 HB2 -0.01 -0.03 0.02 -0.04 3.95 3.89 3m34A1 SER 493 HB3 -0.27 -0.06 0.02 -0.04 3.93 3.58 3m34A1 ALA 494 H -0.32 0.65 0.43 -0.55 8.40 8.62 3m34A1 ALA 494 HA -0.05 0.25 1.07 -0.75 4.34 4.86 3m34A1 ALA 494 HB3 0.10 -0.03 0.04 -0.04 1.41 1.47 3m34A1 PHE 495 H 0.00 0.71 0.39 -0.55 8.34 8.89 3m34A1 PHE 495 HA -0.04 0.19 0.97 -0.75 4.62 4.98 3m34A1 PHE 495 HB2 -0.11 -0.02 0.21 -0.04 3.15 3.19 3m34A1 PHE 495 HB3 -0.09 -0.08 -0.01 -0.04 3.06 2.84 3m34A1 PHE 495 HD2 -0.30 0.02 -0.10 -0.04 7.28 6.86 3m34A1 PHE 495 HE2 -1.01 -0.00 -0.22 -0.04 7.38 6.11 3m34A1 PHE 495 HZ -1.64 0.08 -0.18 -0.04 7.32 5.53 3m34A1 VAL 496 H -0.01 0.83 0.36 -0.55 8.24 8.87 3m34A1 VAL 496 HA -0.18 0.27 0.90 -0.75 4.13 4.36 3m34A1 VAL 496 HB -0.15 0.01 0.18 -0.04 2.12 2.12 3m34A1 VAL 496 HG13 -0.41 -0.05 -0.10 -0.04 0.97 0.37 3m34A1 VAL 496 HG23 -0.42 0.01 -0.18 -0.04 0.95 0.31 3m34A1 LEU 497 H 0.00 0.64 0.41 -0.55 8.37 8.88 3m34A1 LEU 497 HA 0.03 0.15 0.70 -0.75 4.35 4.47 3m34A1 LEU 497 HB2 0.09 -0.01 -0.12 -0.04 1.64 1.57 3m34A1 LEU 497 HB3 0.05 -0.11 -0.37 -0.04 1.64 1.17 3m34A1 LEU 497 HG 0.09 -0.00 -0.76 -0.04 1.64 0.92 3m34A1 LEU 497 HD13 0.08 0.02 -0.17 -0.04 0.93 0.82 3m34A1 LEU 497 HD23 0.08 0.06 -0.23 -0.04 0.89 0.76 3m34A1 SER 498 H 0.01 0.11 0.21 -0.55 8.46 8.24 3m34A1 SER 498 HA -0.01 -0.05 0.73 -0.75 4.49 4.41 3m34A1 SER 498 HB2 -0.00 -0.05 0.15 -0.04 3.95 4.01 3m34A1 SER 498 HB3 0.01 0.06 0.16 -0.04 3.93 4.12 3m34A1 ARG 499 H -0.14 0.05 0.27 -0.55 8.46 8.08 3m34A1 ARG 499 HA -0.28 0.20 0.77 -0.75 4.34 4.27 3m34A1 ARG 499 HB2 -0.77 -0.07 0.21 -0.04 1.90 1.23 3m34A1 ARG 499 HB3 -0.23 -0.00 0.12 -0.04 1.80 1.65 3m34A1 ARG 499 HG2 -0.18 0.02 -0.01 -0.04 1.67 1.47 3m34A1 ARG 499 HG3 -0.62 0.05 0.11 -0.04 1.67 1.17 3m34A1 ARG 499 HD2 -0.15 -0.02 0.14 -0.04 3.22 3.14 3m34A1 ARG 499 HD3 -0.09 0.04 0.06 -0.04 3.22 3.19 3m34A1 GLN 500 H -0.04 -0.06 0.07 -0.55 8.47 7.89 3m34A1 GLN 500 HA -0.02 0.19 0.56 -0.75 4.36 4.33 3m34A1 GLN 500 HB2 0.03 0.05 0.12 -0.04 2.15 2.30 3m34A1 GLN 500 HB3 0.03 0.03 0.11 -0.04 2.02 2.14 3m34A1 GLN 500 HG2 0.02 0.11 -0.37 -0.04 2.40 2.12 3m34A1 GLN 500 HG3 0.08 0.06 -0.02 -0.04 2.39 2.48 3m34A1 GLN 500 HE21 0.21 -0.10 0.04 -0.04 6.97 7.08 3m34A1 GLN 500 HE22 0.08 0.13 0.02 -0.04 7.69 7.88 3m34A1 LYS 501 H -0.01 0.14 0.14 -0.55 8.42 8.13 3m34A1 LYS 501 HA -0.02 -0.03 0.10 -0.75 4.32 3.62 3m34A1 LYS 501 HB2 -0.02 0.02 0.07 -0.04 1.87 1.90 3m34A1 LYS 501 HB3 -0.03 -0.01 0.05 -0.04 1.79 1.77 3m34A1 LYS 501 HG2 -0.05 0.05 -0.34 -0.04 1.46 1.08 3m34A1 LYS 501 HG3 -0.03 -0.08 -0.28 -0.04 1.46 1.02 3m34A1 LYS 501 HD2 -0.03 -0.02 -0.06 -0.04 1.69 1.53 3m34A1 LYS 501 HD3 -0.04 0.02 -0.12 -0.04 1.68 1.50 3m34A1 LYS 501 HE2 -0.02 0.14 -0.08 -0.04 2.99 3.00 3m34A1 LYS 501 HE3 -0.01 -0.06 -0.01 -0.04 2.99 2.86 3m34A1 LEU 502 H -0.02 0.53 0.11 -0.55 8.37 8.44 3m34A1 LEU 502 HA -0.02 0.12 0.89 -0.75 4.35 4.59 3m34A1 LEU 502 HB2 0.02 0.06 0.09 -0.04 1.64 1.77 3m34A1 LEU 502 HB3 0.06 0.05 0.16 -0.04 1.64 1.87 3m34A1 LEU 502 HG -0.00 -0.04 0.11 -0.04 1.64 1.66 3m34A1 LEU 502 HD13 0.02 -0.03 -0.03 -0.04 0.93 0.85 3m34A1 LEU 502 HD23 0.00 0.01 -0.13 -0.04 0.89 0.73 3m34A1 LYS 503 H -0.01 0.12 0.18 -0.55 8.42 8.16 3m34A1 LYS 503 HA -0.15 0.05 0.58 -0.75 4.32 4.04 3m34A1 LYS 503 HB2 -0.53 -0.02 0.06 -0.04 1.87 1.34 3m34A1 LYS 503 HB3 -1.24 -0.03 0.08 -0.04 1.79 0.56 3m34A1 LYS 503 HG2 -0.64 0.23 -0.10 -0.04 1.46 0.91 3m34A1 LYS 503 HG3 -0.45 -0.03 0.03 -0.04 1.46 0.97 3m34A1 LYS 503 HD2 -0.83 -0.02 -0.01 -0.04 1.69 0.78 3m34A1 LYS 503 HD3 -2.63 -0.05 -0.02 -0.04 1.68 -1.06 3m34A1 LYS 503 HE2 -1.13 -0.01 -0.02 -0.04 2.99 1.79 3m34A1 LYS 503 HE3 -0.93 0.07 -0.03 -0.04 2.99 2.06 3m34A1 ALA 504 H -0.01 0.10 0.06 -0.55 8.40 8.00 3m34A1 ALA 504 HA 0.14 -0.05 0.47 -0.75 4.34 4.14 3m34A1 ALA 504 HB3 0.09 0.07 -0.18 -0.04 1.41 1.34 3m34A1 LEU 505 H 0.18 -0.04 0.16 -0.55 8.37 8.12 3m34A1 LEU 505 HA 0.34 0.14 0.53 -0.75 4.35 4.61 3m34A1 LEU 505 HB2 0.11 -0.08 0.03 -0.04 1.64 1.67 3m34A1 LEU 505 HB3 0.04 0.18 0.07 -0.04 1.64 1.88 3m34A1 LEU 505 HG 0.13 -0.08 -0.05 -0.04 1.64 1.60 3m34A1 LEU 505 HD13 0.04 -0.02 -0.05 -0.04 0.93 0.87 3m34A1 LEU 505 HD23 -0.03 0.03 -0.14 -0.04 0.89 0.71 3m34A1 ASN 506 H 0.07 0.10 0.12 -0.55 8.53 8.28 3m34A1 ASN 506 HA 0.10 0.12 0.82 -0.75 4.76 5.05 3m34A1 ASN 506 HB2 0.03 0.00 0.11 -0.04 2.88 2.98 3m34A1 ASN 506 HB3 0.06 -0.01 0.18 -0.04 2.79 2.98 3m34A1 ASN 506 HD21 0.25 0.00 -0.01 -0.04 7.03 7.23 3m34A1 ASN 506 HD22 0.06 0.02 0.04 -0.04 7.74 7.82 3m34A1 GLU 507 H 0.05 0.11 0.10 -0.55 8.60 8.31 3m34A1 GLU 507 HA 0.05 0.04 0.40 -0.75 4.29 4.02 3m34A1 GLU 507 HB2 0.04 -0.01 0.08 -0.04 2.09 2.16 3m34A1 GLU 507 HB3 0.02 0.17 0.04 -0.04 1.99 2.18 3m34A1 GLU 507 HG2 0.03 -0.05 0.00 -0.04 2.34 2.29 3m34A1 GLU 507 HG3 0.04 -0.06 0.06 -0.04 2.34 2.34 3m34A1 PRO 508 HA 0.23 0.09 0.50 -0.51 4.44 4.74 3m34A1 PRO 508 HB2 -0.06 0.03 -0.04 -0.04 2.28 2.17 3m34A1 PRO 508 HB3 -0.13 0.16 0.02 -0.04 2.02 2.03 3m34A1 PRO 508 HG2 -0.21 0.01 0.08 -0.04 2.03 1.86 3m34A1 PRO 508 HG3 -0.38 -0.06 0.05 -0.04 2.03 1.60 3m34A1 PRO 508 HD2 -0.03 0.09 0.18 -0.04 3.68 3.88 3m34A1 PRO 508 HD3 -0.01 0.04 0.16 -0.04 3.65 3.81 3m34A1 VAL 509 H 0.14 0.58 0.33 -0.55 8.24 8.73 3m34A1 VAL 509 HA 0.08 0.13 0.79 -0.75 4.13 4.38 3m34A1 VAL 509 HB 0.09 -0.03 -0.18 -0.04 2.12 1.96 3m34A1 VAL 509 HG13 0.08 -0.02 -0.17 -0.04 0.97 0.82 3m34A1 VAL 509 HG23 0.04 0.01 -0.10 -0.04 0.95 0.86 3m34A1 PHE 510 H 0.20 0.32 0.13 -0.55 8.34 8.44 3m34A1 PHE 510 HA 0.06 0.10 0.52 -0.75 4.62 4.54 3m34A1 PHE 510 HB2 0.03 0.14 -0.09 -0.04 3.15 3.19 3m34A1 PHE 510 HB3 0.02 -0.07 0.01 -0.04 3.06 2.98 3m34A1 PHE 510 HD2 -0.01 0.01 -0.04 -0.04 7.28 7.21 3m34A1 PHE 510 HE2 -0.03 0.02 -0.02 -0.04 7.38 7.32 3m34A1 PHE 510 HZ 0.18 -0.01 -0.03 -0.04 7.32 7.41 3m34A1 GLY 511 H -0.59 0.13 0.08 -0.55 8.43 7.51 3m34A1 GLY 511 HA2 -0.30 0.04 0.34 -0.51 4.01 3.57 3m34A1 GLY 511 HA3 -0.01 0.15 0.58 -0.51 4.01 4.21 3m34A1 ASP 512 H -0.11 0.28 0.14 -0.55 8.40 8.16 3m34A1 ASP 512 HA -0.82 0.17 0.50 -0.75 4.63 3.73 3m34A1 ASP 512 HB2 -0.21 0.10 -0.42 -0.04 2.71 2.13 3m34A1 ASP 512 HB3 -0.19 -0.08 -0.10 -0.04 2.70 2.29 3m34A1 VAL 513 H -0.32 0.18 0.07 -0.55 8.24 7.61 3m34A1 VAL 513 HA 0.09 0.10 0.13 -0.75 4.13 3.70 3m34A1 VAL 513 HB -0.08 0.03 0.06 -0.04 2.12 2.09 3m34A1 VAL 513 HG13 0.06 0.04 -0.15 -0.04 0.97 0.87 3m34A1 VAL 513 HG23 -0.03 -0.01 0.01 -0.04 0.95 0.88 3m34A1 LYS 514 H -0.08 0.04 -0.29 -0.55 8.42 7.53 3m34A1 LYS 514 HA 0.02 0.12 0.24 -0.75 4.32 3.96 3m34A1 LYS 514 HB2 -0.02 0.11 0.04 -0.04 1.87 1.95 3m34A1 LYS 514 HB3 -0.04 -0.02 0.02 -0.04 1.79 1.71 3m34A1 LYS 514 HG2 -0.10 -0.19 -0.15 -0.04 1.46 0.97 3m34A1 LYS 514 HG3 -0.09 0.08 -0.31 -0.04 1.46 1.10 3m34A1 LYS 514 HD2 -0.05 0.08 -0.06 -0.04 1.69 1.62 3m34A1 LYS 514 HD3 -0.08 -0.05 -0.07 -0.04 1.68 1.44 3m34A1 LYS 514 HE2 -0.06 0.06 -0.07 -0.04 2.99 2.88 3m34A1 LYS 514 HE3 -0.06 0.02 -0.06 -0.04 2.99 2.85 3m34A1 ASN 515 H -0.06 0.29 -0.45 -0.55 8.53 7.76 3m34A1 ASN 515 HA -0.11 0.20 0.74 -0.75 4.76 4.83 3m34A1 ASN 515 HB2 -0.04 0.19 0.08 -0.04 2.88 3.07 3m34A1 ASN 515 HB3 -0.49 0.01 0.19 -0.04 2.79 2.46 3m34A1 ASN 515 HD21 -0.32 -0.02 -0.03 -0.04 7.03 6.62 3m34A1 ASN 515 HD22 -0.43 0.09 0.02 -0.04 7.74 7.38 3m34A1 GLY 516 H 0.04 0.55 -0.31 -0.55 8.43 8.17 3m34A1 GLY 516 HA2 0.05 -0.07 0.41 -0.51 4.01 3.88 3m34A1 GLY 516 HA3 0.06 0.07 0.33 -0.51 4.01 3.97 3m34A1 ALA 517 H -0.11 0.57 -0.29 -0.55 8.40 8.03 3m34A1 ALA 517 HA -0.28 0.30 0.70 -0.75 4.34 4.30 3m34A1 ALA 517 HB3 -1.39 -0.01 -0.09 -0.04 1.41 -0.12 3m34A1 TYR 518 H -0.41 0.57 0.21 -0.55 8.29 8.11 3m34A1 TYR 518 HA -0.00 0.16 0.58 -0.75 4.56 4.54 3m34A1 TYR 518 HB2 -0.02 0.20 -0.08 -0.04 3.06 3.11 3m34A1 TYR 518 HB3 -0.01 0.08 -0.35 -0.04 2.98 2.65 3m34A1 TYR 518 HD2 -0.04 0.16 -0.48 -0.04 7.15 6.74 3m34A1 TYR 518 HE2 -0.04 0.00 -0.21 -0.04 6.85 6.56 3m34A1 LEU 519 H 0.19 0.68 0.30 -0.55 8.37 8.99 3m34A1 LEU 519 HA -0.10 0.22 0.88 -0.75 4.35 4.60 3m34A1 LEU 519 HB2 0.18 -0.01 0.18 -0.04 1.64 1.96 3m34A1 LEU 519 HB3 0.05 -0.03 -0.11 -0.04 1.64 1.51 3m34A1 LEU 519 HG 0.02 -0.05 -0.08 -0.04 1.64 1.49 3m34A1 LEU 519 HD13 0.05 0.02 -0.11 -0.04 0.93 0.85 3m34A1 LEU 519 HD23 -0.04 0.09 0.02 -0.04 0.89 0.92 3m34A1 LEU 520 H -0.15 0.59 0.43 -0.55 8.37 8.69 3m34A1 LEU 520 HA 0.02 0.12 0.86 -0.75 4.35 4.61 3m34A1 LEU 520 HB2 -0.19 0.04 -0.02 -0.04 1.64 1.44 3m34A1 LEU 520 HB3 -0.15 -0.04 -0.05 -0.04 1.64 1.36 3m34A1 LEU 520 HG -0.35 -0.02 -0.13 -0.04 1.64 1.10 3m34A1 LEU 520 HD13 -0.25 -0.03 -0.11 -0.04 0.93 0.50 3m34A1 LEU 520 HD23 0.08 -0.01 -0.12 -0.04 0.89 0.79 3m34A1 LYS 521 H -0.06 0.39 0.30 -0.55 8.42 8.50 3m34A1 LYS 521 HA -0.02 0.15 0.62 -0.75 4.32 4.32 3m34A1 LYS 521 HB2 -0.08 0.04 -0.04 -0.04 1.87 1.75 3m34A1 LYS 521 HB3 -0.07 -0.13 0.09 -0.04 1.79 1.64 3m34A1 LYS 521 HG2 -0.02 0.18 -0.22 -0.04 1.46 1.37 3m34A1 LYS 521 HG3 -0.02 0.01 0.02 -0.04 1.46 1.43 3m34A1 LYS 521 HD2 -0.05 -0.04 -0.05 -0.04 1.69 1.51 3m34A1 LYS 521 HD3 -0.04 -0.05 -0.15 -0.04 1.68 1.40 3m34A1 LYS 521 HE2 0.01 0.05 -0.05 -0.04 2.99 2.96 3m34A1 LYS 521 HE3 0.00 0.00 -0.05 -0.04 2.99 2.91 3m34A1 GLU 522 H -0.00 0.26 0.12 -0.55 8.60 8.44 3m34A1 GLU 522 HA -0.01 0.19 1.07 -0.75 4.29 4.78 3m34A1 GLU 522 HB2 0.01 -0.03 -0.16 -0.04 2.09 1.87 3m34A1 GLU 522 HB3 -0.00 -0.02 0.03 -0.04 1.99 1.96 3m34A1 GLU 522 HG2 -0.04 -0.03 -0.31 -0.04 2.34 1.93 3m34A1 GLU 522 HG3 -0.04 0.09 0.01 -0.04 2.34 2.36 3m34A1 SER 523 H -0.01 0.24 0.06 -0.55 8.46 8.20 3m34A1 SER 523 HA -0.01 0.13 0.92 -0.75 4.49 4.78 3m34A1 SER 523 HB2 0.01 -0.05 -0.19 -0.04 3.95 3.68 3m34A1 SER 523 HB3 0.01 0.08 -0.03 -0.04 3.93 3.94 3m34A1 LYS 524 H -0.01 0.11 0.10 -0.55 8.42 8.06 3m34A1 LYS 524 HA -0.02 0.05 0.53 -0.75 4.32 4.12 3m34A1 GLU 525 H -0.02 0.10 0.13 -0.55 8.60 8.26 3m34A1 GLU 525 HA -0.03 0.04 0.29 -0.75 4.29 3.84 3m34A1 GLU 525 HB2 -0.02 0.08 -0.18 -0.04 2.09 1.93 3m34A1 GLU 525 HB3 -0.03 0.03 0.13 -0.04 1.99 2.07 3m34A1 GLU 525 HG2 -0.02 -0.09 -0.07 -0.04 2.34 2.12 3m34A1 GLU 525 HG3 -0.02 0.01 -0.04 -0.04 2.34 2.25 3m34A1 ALA 526 H -0.02 0.10 -0.24 -0.55 8.40 7.70 3m34A1 ALA 526 HA -0.00 -0.01 0.12 -0.75 4.34 3.69 3m34A1 ALA 526 HB3 0.00 0.03 -0.13 -0.04 1.41 1.27 3m34A1 LYS 527 H -0.05 0.48 0.32 -0.55 8.42 8.62 3m34A1 LYS 527 HA -0.20 0.06 0.70 -0.75 4.32 4.13 3m34A1 LYS 527 HB2 -0.30 0.05 0.12 -0.04 1.87 1.70 3m34A1 LYS 527 HB3 -0.64 -0.04 0.07 -0.04 1.79 1.14 3m34A1 LYS 527 HG2 -0.05 0.08 0.16 -0.04 1.46 1.61 3m34A1 LYS 527 HG3 0.05 -0.02 0.12 -0.04 1.46 1.57 3m34A1 LYS 527 HD2 -0.08 -0.03 0.06 -0.04 1.69 1.60 3m34A1 LYS 527 HD3 -0.13 -0.00 0.05 -0.04 1.68 1.56 3m34A1 LYS 527 HE2 -0.05 0.11 -0.00 -0.04 2.99 3.01 3m34A1 LYS 527 HE3 -0.04 -0.00 0.06 -0.04 2.99 2.97 3m34A1 PHE 528 H 0.01 0.31 0.20 -0.55 8.34 8.31 3m34A1 PHE 528 HA 0.01 0.37 0.92 -0.75 4.62 5.16 3m34A1 PHE 528 HB2 -0.01 -0.08 0.01 -0.04 3.15 3.02 3m34A1 PHE 528 HB3 -0.02 0.01 -0.01 -0.04 3.06 2.99 3m34A1 PHE 528 HD2 -0.05 0.04 -0.02 -0.04 7.28 7.21 3m34A1 PHE 528 HE2 -0.54 0.00 -0.05 -0.04 7.38 6.76 3m34A1 PHE 528 HZ -0.37 0.03 -0.07 -0.04 7.32 6.86 3m34A1 THR 529 H 0.18 0.60 0.27 -0.55 8.28 8.78 3m34A1 THR 529 HA 0.06 0.14 0.87 -0.75 4.39 4.70 3m34A1 THR 529 HB 0.08 -0.04 0.08 -0.04 4.32 4.40 3m34A1 THR 529 HG23 0.00 -0.02 -0.21 -0.04 1.22 0.95 3m34A1 LEU 530 H 0.00 0.63 0.28 -0.55 8.37 8.74 3m34A1 LEU 530 HA 0.00 0.29 0.98 -0.75 4.35 4.87 3m34A1 LEU 530 HB2 -0.05 -0.02 0.22 -0.04 1.64 1.76 3m34A1 LEU 530 HB3 -0.05 -0.06 0.04 -0.04 1.64 1.53 3m34A1 LEU 530 HG -0.06 0.06 -0.02 -0.04 1.64 1.58 3m34A1 LEU 530 HD13 -0.01 -0.02 -0.18 -0.04 0.93 0.67 3m34A1 LEU 530 HD23 -0.08 0.00 -0.04 -0.04 0.89 0.73 3m34A1 LEU 531 H 0.00 0.80 0.35 -0.55 8.37 8.97 3m34A1 LEU 531 HA -0.09 0.20 0.95 -0.75 4.35 4.66 3m34A1 LEU 531 HB2 -0.02 0.05 -0.15 -0.04 1.64 1.48 3m34A1 LEU 531 HB3 0.02 -0.01 -0.00 -0.04 1.64 1.61 3m34A1 LEU 531 HG -0.12 0.01 -0.06 -0.04 1.64 1.42 3m34A1 LEU 531 HD13 -0.03 0.02 -0.17 -0.04 0.93 0.71 3m34A1 LEU 531 HD23 0.04 -0.03 -0.36 -0.04 0.89 0.50 3m34A1 ALA 532 H -0.10 0.64 0.39 -0.55 8.40 8.78 3m34A1 ALA 532 HA 0.01 0.16 0.75 -0.75 4.34 4.51 3m34A1 ALA 532 HB3 -0.02 -0.04 -0.11 -0.04 1.41 1.19 3m34A1 SER 533 H 0.01 0.26 0.26 -0.55 8.46 8.45 3m34A1 SER 533 HA -0.03 0.16 0.92 -0.75 4.49 4.79 3m34A1 SER 533 HB2 0.02 0.12 0.19 -0.04 3.95 4.24 3m34A1 SER 533 HB3 0.03 0.07 -0.04 -0.04 3.93 3.95 3m34A1 GLY 534 H 0.01 0.32 0.17 -0.55 8.43 8.38 3m34A1 GLY 534 HA2 0.02 0.23 -0.04 -0.51 4.01 3.71 3m34A1 GLY 534 HA3 0.02 -0.02 0.21 -0.51 4.01 3.70 3m34A1 SER 535 H 0.01 0.13 0.20 -0.55 8.46 8.25 3m34A1 SER 535 HA 0.02 0.10 0.46 -0.75 4.49 4.31 3m34A1 SER 535 HB2 -0.09 0.03 0.14 -0.04 3.95 3.99 3m34A1 SER 535 HB3 0.01 -0.02 0.16 -0.04 3.93 4.04 3m34A1 GLU 536 H -0.01 0.51 -0.28 -0.55 8.60 8.27 3m34A1 GLU 536 HA -0.01 0.09 0.57 -0.75 4.29 4.18 3m34A1 GLU 536 HB2 0.02 0.15 0.16 -0.04 2.09 2.38 3m34A1 GLU 536 HB3 0.07 0.07 0.01 -0.04 1.99 2.10 3m34A1 GLU 536 HG2 0.06 -0.02 -0.18 -0.04 2.34 2.16 3m34A1 GLU 536 HG3 0.01 0.05 -0.09 -0.04 2.34 2.26 3m34A1 VAL 537 H 0.00 0.47 -0.28 -0.55 8.24 7.88 3m34A1 VAL 537 HA -0.09 0.11 0.21 -0.75 4.13 3.60 3m34A1 VAL 537 HB -0.05 0.06 0.05 -0.04 2.12 2.13 3m34A1 VAL 537 HG13 -0.27 0.00 -0.16 -0.04 0.97 0.50 3m34A1 VAL 537 HG23 -0.08 0.01 -0.22 -0.04 0.95 0.63 3m34A1 TRP 538 H 0.15 0.19 -0.12 -0.55 7.97 7.65 3m34A1 TRP 538 HA -0.03 0.09 0.46 -0.75 4.62 4.39 3m34A1 TRP 538 HB2 -0.04 0.01 0.12 -0.04 3.23 3.28 3m34A1 TRP 538 HB3 -0.04 0.02 -0.04 -0.04 3.23 3.14 3m34A1 TRP 538 HD1 -0.02 0.07 0.02 -0.04 7.22 7.25 3m34A1 TRP 538 HE1 -0.00 0.26 -0.53 -0.04 10.20 9.89 3m34A1 TRP 538 HE3 -0.02 -0.09 0.04 -0.04 7.59 7.49 3m34A1 TRP 538 HZ2 0.01 0.07 -0.01 -0.04 7.44 7.47 3m34A1 TRP 538 HZ3 -0.00 0.03 -0.06 -0.04 7.13 7.05 3m34A1 TRP 538 HH2 0.00 0.04 -0.03 -0.04 7.19 7.16 3m34A1 LEU 539 H 0.09 0.17 -0.35 -0.55 8.37 7.74 3m34A1 LEU 539 HA 0.09 -0.01 0.40 -0.75 4.35 4.08 3m34A1 LEU 539 HB2 0.05 -0.02 0.01 -0.04 1.64 1.64 3m34A1 LEU 539 HB3 0.06 0.22 0.05 -0.04 1.64 1.93 3m34A1 LEU 539 HG 0.01 0.05 -0.31 -0.04 1.64 1.35 3m34A1 LEU 539 HD13 0.04 0.01 -0.35 -0.04 0.93 0.59 3m34A1 LEU 539 HD23 0.22 0.02 -0.12 -0.04 0.89 0.97 3m34A1 CYS 540 H -0.03 0.41 -0.29 -0.55 8.50 8.05 3m34A1 CYS 540 HA -0.05 0.05 0.44 -0.75 4.58 4.27 3m34A1 CYS 540 HB2 -0.10 0.11 0.08 -0.04 2.97 3.01 3m34A1 CYS 540 HB3 -0.09 0.01 -0.07 -0.04 2.97 2.79 3m34A1 LEU 541 H -0.21 0.52 -0.03 -0.55 8.37 8.10 3m34A1 LEU 541 HA -0.20 0.07 0.49 -0.75 4.35 3.94 3m34A1 LEU 541 HB2 -0.75 0.02 0.16 -0.04 1.64 1.02 3m34A1 LEU 541 HB3 -0.64 -0.00 -0.04 -0.04 1.64 0.91 3m34A1 LEU 541 HG -0.50 0.09 -0.01 -0.04 1.64 1.18 3m34A1 LEU 541 HD13 -1.47 -0.03 -0.09 -0.04 0.93 -0.70 3m34A1 LEU 541 HD23 -0.34 0.00 -0.06 -0.04 0.89 0.45 3m34A1 GLU 542 H 0.10 0.59 -0.11 -0.55 8.60 8.63 3m34A1 GLU 542 HA 0.13 0.05 0.47 -0.75 4.29 4.19 3m34A1 GLU 542 HB2 0.13 0.10 0.13 -0.04 2.09 2.40 3m34A1 GLU 542 HB3 0.10 -0.06 -0.01 -0.04 1.99 1.97 3m34A1 GLU 542 HG2 0.55 0.02 0.05 -0.04 2.34 2.92 3m34A1 GLU 542 HG3 0.21 -0.06 -0.00 -0.04 2.34 2.45 3m34A1 SER 543 H 0.00 0.56 -0.17 -0.55 8.46 8.31 3m34A1 SER 543 HA -0.01 -0.01 0.51 -0.75 4.49 4.22 3m34A1 SER 543 HB2 -0.06 0.08 0.13 -0.04 3.95 4.06 3m34A1 SER 543 HB3 -0.08 -0.01 0.01 -0.04 3.93 3.80 3m34A1 ALA 544 H -0.03 0.61 -0.20 -0.55 8.40 8.23 3m34A1 ALA 544 HA 0.00 0.05 0.34 -0.75 4.34 3.97 3m34A1 ALA 544 HB3 -0.03 0.03 0.04 -0.04 1.41 1.41 3m34A1 ASN 545 H 0.01 0.37 -0.28 -0.55 8.53 8.09 3m34A1 ASN 545 HA 0.03 0.04 0.41 -0.75 4.76 4.49 3m34A1 ASN 545 HB2 0.04 0.05 0.12 -0.04 2.88 3.05 3m34A1 ASN 545 HB3 0.06 0.08 0.13 -0.04 2.79 3.02 3m34A1 ASN 545 HD21 0.05 -0.02 -0.03 -0.04 7.03 7.00 3m34A1 ASN 545 HD22 0.07 -0.01 -0.03 -0.04 7.74 7.72 3m34A1 GLU 546 H 0.03 0.46 -0.16 -0.55 8.60 8.39 3m34A1 GLU 546 HA 0.04 0.01 0.53 -0.75 4.29 4.13 3m34A1 GLU 546 HB2 0.03 -0.01 0.13 -0.04 2.09 2.20 3m34A1 GLU 546 HB3 0.01 0.14 0.17 -0.04 1.99 2.26 3m34A1 GLU 546 HG2 0.02 -0.07 -0.04 -0.04 2.34 2.21 3m34A1 GLU 546 HG3 0.03 0.04 -0.12 -0.04 2.34 2.26 3m34A1 LEU 547 H 0.04 0.58 -0.12 -0.55 8.37 8.32 3m34A1 LEU 547 HA 0.17 0.01 0.34 -0.75 4.35 4.12 3m34A1 LEU 547 HB2 0.08 0.07 0.14 -0.04 1.64 1.89 3m34A1 LEU 547 HB3 0.22 0.01 -0.04 -0.04 1.64 1.79 3m34A1 LEU 547 HG -0.06 0.01 0.03 -0.04 1.64 1.58 3m34A1 LEU 547 HD13 -0.20 -0.02 -0.14 -0.04 0.93 0.52 3m34A1 LEU 547 HD23 -0.24 -0.00 -0.05 -0.04 0.89 0.56 3m34A1 GLU 548 H 0.09 0.55 -0.15 -0.55 8.60 8.54 3m34A1 GLU 548 HA 0.09 0.13 0.40 -0.75 4.29 4.15 3m34A1 GLU 548 HB2 0.05 0.07 0.17 -0.04 2.09 2.34 3m34A1 GLU 548 HB3 0.04 -0.08 0.02 -0.04 1.99 1.92 3m34A1 GLU 548 HG2 0.08 0.15 0.14 -0.04 2.34 2.66 3m34A1 GLU 548 HG3 0.04 -0.09 -0.01 -0.04 2.34 2.24 3m34A1 LYS 549 H 0.06 0.47 -0.17 -0.55 8.42 8.22 3m34A1 LYS 549 HA 0.03 -0.01 0.43 -0.75 4.32 4.01 3m34A1 LYS 549 HB2 0.05 0.12 0.19 -0.04 1.87 2.18 3m34A1 LYS 549 HB3 0.03 -0.07 0.03 -0.04 1.79 1.75 3m34A1 LYS 549 HG2 0.03 -0.05 0.05 -0.04 1.46 1.45 3m34A1 LYS 549 HG3 0.04 0.20 0.09 -0.04 1.46 1.74 3m34A1 LYS 549 HD2 0.03 -0.01 0.01 -0.04 1.69 1.67 3m34A1 LYS 549 HD3 0.03 -0.05 0.00 -0.04 1.68 1.62 3m34A1 LYS 549 HE2 0.04 0.04 -0.14 -0.04 2.99 2.89 3m34A1 LYS 549 HE3 0.03 -0.02 -0.02 -0.04 2.99 2.94 3m34A1 GLN 550 H 0.10 0.44 -0.26 -0.55 8.47 8.20 3m34A1 GLN 550 HA 0.03 0.06 0.69 -0.75 4.36 4.38 3m34A1 GLN 550 HB2 0.33 0.07 0.07 -0.04 2.15 2.58 3m34A1 GLN 550 HB3 0.21 -0.05 0.13 -0.04 2.02 2.26 3m34A1 GLN 550 HG2 0.08 -0.05 -0.02 -0.04 2.40 2.37 3m34A1 GLN 550 HG3 0.10 0.17 0.01 -0.04 2.39 2.63 3m34A1 GLN 550 HE21 0.04 -0.04 -0.08 -0.04 6.97 6.86 3m34A1 GLN 550 HE22 0.05 -0.03 -0.08 -0.04 7.69 7.59 3m34A1 GLY 551 H 0.01 0.37 -0.43 -0.55 8.43 7.82 3m34A1 GLY 551 HA2 -0.11 0.01 0.23 -0.51 4.01 3.63 3m34A1 GLY 551 HA3 -0.26 0.07 0.57 -0.51 4.01 3.87 3m34A1 PHE 552 H 0.15 0.59 0.04 -0.55 8.34 8.57 3m34A1 PHE 552 HA 0.02 0.14 0.93 -0.75 4.62 4.95 3m34A1 PHE 552 HB2 0.17 -0.05 -0.05 -0.04 3.15 3.18 3m34A1 PHE 552 HB3 0.23 -0.01 -0.10 -0.04 3.06 3.14 3m34A1 PHE 552 HD2 0.04 0.02 -0.07 -0.04 7.28 7.23 3m34A1 PHE 552 HE2 0.05 -0.02 -0.06 -0.04 7.38 7.31 3m34A1 PHE 552 HZ 0.06 -0.02 -0.04 -0.04 7.32 7.28 3m34A1 ALA 553 H 0.06 0.20 0.12 -0.55 8.40 8.23 3m34A1 ALA 553 HA 0.06 0.04 0.53 -0.75 4.34 4.22 3m34A1 ALA 553 HB3 0.01 0.03 0.00 -0.04 1.41 1.41 3m34A1 CYS 554 H 0.06 0.17 0.17 -0.55 8.50 8.35 3m34A1 CYS 554 HA 0.11 0.32 1.00 -0.75 4.58 5.26 3m34A1 CYS 554 HB2 0.06 -0.06 0.05 -0.04 2.97 2.99 3m34A1 CYS 554 HB3 0.06 0.06 -0.06 -0.04 2.97 2.98 3m34A1 ASN 555 H 0.05 0.64 0.44 -0.55 8.53 9.11 3m34A1 ASN 555 HA -0.01 0.19 0.83 -0.75 4.76 5.02 3m34A1 ASN 555 HB2 0.01 0.01 0.27 -0.04 2.88 3.12 3m34A1 ASN 555 HB3 -0.03 0.02 0.14 -0.04 2.79 2.89 3m34A1 ASN 555 HD21 -0.03 0.02 0.07 -0.04 7.03 7.05 3m34A1 ASN 555 HD22 -0.02 0.34 0.13 -0.04 7.74 8.16 3m34A1 VAL 556 H -0.06 0.47 0.33 -0.55 8.24 8.44 3m34A1 VAL 556 HA -0.08 0.32 0.87 -0.75 4.13 4.48 3m34A1 VAL 556 HB -0.13 -0.14 0.12 -0.04 2.12 1.93 3m34A1 VAL 556 HG13 -0.18 -0.02 -0.18 -0.04 0.97 0.54 3m34A1 VAL 556 HG23 -0.09 0.01 -0.19 -0.04 0.95 0.64 3m34A1 VAL 557 H -0.12 0.84 0.37 -0.55 8.24 8.79 3m34A1 VAL 557 HA -0.24 0.26 0.99 -0.75 4.13 4.38 3m34A1 VAL 557 HB -0.14 -0.04 0.11 -0.04 2.12 2.01 3m34A1 VAL 557 HG13 -0.35 -0.02 -0.12 -0.04 0.97 0.45 3m34A1 VAL 557 HG23 -0.11 0.00 -0.23 -0.04 0.95 0.57 3m34A1 SER 558 H -0.55 0.50 0.25 -0.55 8.46 8.11 3m34A1 SER 558 HA -0.24 0.27 0.82 -0.75 4.49 4.59 3m34A1 SER 558 HB2 -0.40 -0.02 0.02 -0.04 3.95 3.51 3m34A1 SER 558 HB3 -1.02 0.01 0.04 -0.04 3.93 2.92 3m34A1 PRO 560 HA 0.05 -0.06 0.33 -0.51 4.44 4.25 3m34A1 PRO 560 HB2 0.19 0.02 -0.06 -0.04 2.28 2.39 3m34A1 PRO 560 HB3 0.11 -0.20 0.02 -0.04 2.02 1.91 3m34A1 PRO 560 HG2 0.15 0.17 0.09 -0.04 2.03 2.39 3m34A1 PRO 560 HG3 0.22 -0.14 -0.10 -0.04 2.03 1.97 3m34A1 PRO 560 HD2 0.01 0.28 0.09 -0.04 3.68 4.01 3m34A1 PRO 560 HD3 0.01 -0.21 -1.04 -0.04 3.65 2.36 3m34A1 CYS 561 H 0.03 0.73 0.22 -0.55 8.50 8.93 3m34A1 CYS 561 HA -0.04 0.19 0.73 -0.75 4.58 4.71 3m34A1 CYS 561 HB2 -0.28 0.06 -0.15 -0.04 2.97 2.57 3m34A1 CYS 561 HB3 -0.04 0.04 0.14 -0.04 2.97 3.06 3m34A1 PHE 562 H 0.20 0.22 0.08 -0.55 8.34 8.29 3m34A1 PHE 562 HA 0.14 0.09 0.41 -0.75 4.62 4.51 3m34A1 PHE 562 HB2 0.09 -0.04 0.05 -0.04 3.15 3.20 3m34A1 PHE 562 HB3 0.07 0.03 0.09 -0.04 3.06 3.21 3m34A1 PHE 562 HD2 0.17 0.00 -0.24 -0.04 7.28 7.17 3m34A1 PHE 562 HE2 0.14 0.03 -0.24 -0.04 7.38 7.27 3m34A1 PHE 562 HZ -0.03 0.12 -0.06 -0.04 7.32 7.30 3m34A1 GLU 563 H 0.16 0.07 -0.11 -0.55 8.60 8.17 3m34A1 GLU 563 HA 0.24 0.13 0.24 -0.75 4.29 4.15 3m34A1 GLU 563 HB2 -0.00 -0.11 0.04 -0.04 2.09 1.98 3m34A1 GLU 563 HB3 0.07 0.09 -0.05 -0.04 1.99 2.05 3m34A1 GLU 563 HG2 0.10 0.23 0.07 -0.04 2.34 2.70 3m34A1 GLU 563 HG3 0.21 0.01 0.05 -0.04 2.34 2.57 3m34A1 LEU 564 H -0.00 0.01 -0.28 -0.55 8.37 7.56 3m34A1 LEU 564 HA 0.03 0.13 0.56 -0.75 4.35 4.31 3m34A1 LEU 564 HB2 0.02 -0.01 0.02 -0.04 1.64 1.63 3m34A1 LEU 564 HB3 0.03 0.09 -0.26 -0.04 1.64 1.47 3m34A1 LEU 564 HG -0.08 -0.13 -0.03 -0.04 1.64 1.37 3m34A1 LEU 564 HD13 0.11 0.03 -0.04 -0.04 0.93 1.00 3m34A1 LEU 564 HD23 0.02 0.04 -0.03 -0.04 0.89 0.87 3m34A1 PHE 565 H 0.12 0.32 -0.23 -0.55 8.34 8.00 3m34A1 PHE 565 HA -0.08 0.23 0.50 -0.75 4.62 4.51 3m34A1 PHE 565 HB2 -0.19 -0.09 -0.05 -0.04 3.15 2.78 3m34A1 PHE 565 HB3 -0.42 0.07 0.06 -0.04 3.06 2.72 3m34A1 PHE 565 HD2 -0.68 0.06 0.01 -0.04 7.28 6.63 3m34A1 PHE 565 HE2 -0.39 -0.01 -0.09 -0.04 7.38 6.84 3m34A1 PHE 565 HZ -0.21 0.03 -0.05 -0.04 7.32 7.05 3m34A1 GLU 566 H 0.04 0.35 -0.29 -0.55 8.60 8.15 3m34A1 GLU 566 HA 0.08 0.01 0.34 -0.75 4.29 3.96 3m34A1 GLU 566 HB2 0.07 0.20 0.06 -0.04 2.09 2.38 3m34A1 GLU 566 HB3 0.04 -0.03 0.02 -0.04 1.99 1.97 3m34A1 GLU 566 HG2 -0.07 -0.05 -0.02 -0.04 2.34 2.16 3m34A1 GLU 566 HG3 -0.10 0.15 -0.03 -0.04 2.34 2.33 3m34A1 LYS 567 H 0.02 0.33 -0.65 -0.55 8.42 7.56 3m34A1 LYS 567 HA 0.01 0.09 0.60 -0.75 4.32 4.25 3m34A1 LYS 567 HB2 0.02 0.14 0.09 -0.04 1.87 2.08 3m34A1 LYS 567 HB3 0.01 -0.09 0.11 -0.04 1.79 1.78 3m34A1 LYS 567 HG2 0.02 -0.04 -0.02 -0.04 1.46 1.38 3m34A1 LYS 567 HG3 0.03 0.10 -0.04 -0.04 1.46 1.51 3m34A1 LYS 567 HD2 0.03 -0.02 -0.04 -0.04 1.69 1.61 3m34A1 LYS 567 HD3 0.02 -0.02 0.01 -0.04 1.68 1.64 3m34A1 LYS 567 HE2 0.02 -0.00 -0.02 -0.04 2.99 2.95 3m34A1 LYS 567 HE3 0.02 -0.02 0.01 -0.04 2.99 2.96 3m34A1 GLN 568 H -0.02 0.41 -0.26 -0.55 8.47 8.06 3m34A1 GLN 568 HA -0.02 0.00 0.53 -0.75 4.36 4.12 3m34A1 GLN 568 HB2 0.09 0.09 0.08 -0.04 2.15 2.36 3m34A1 GLN 568 HB3 0.11 -0.18 0.11 -0.04 2.02 2.02 3m34A1 GLN 568 HG2 0.13 0.14 0.21 -0.04 2.40 2.84 3m34A1 GLN 568 HG3 0.21 -0.02 0.15 -0.04 2.39 2.69 3m34A1 GLN 568 HE21 -0.06 -0.04 -0.01 -0.04 6.97 6.83 3m34A1 GLN 568 HE22 0.01 0.44 -0.04 -0.04 7.69 8.06 3m34A1 ASP 569 H 0.04 0.03 0.19 -0.55 8.40 8.12 3m34A1 ASP 569 HA 0.03 0.26 0.53 -0.75 4.63 4.69 3m34A1 ASP 569 HB2 0.04 -0.09 0.19 -0.04 2.71 2.81 3m34A1 ASP 569 HB3 0.03 0.14 0.13 -0.04 2.70 2.96 3m34A1 LYS 570 H 0.04 0.18 0.19 -0.55 8.42 8.27 3m34A1 LYS 570 HA 0.03 0.17 0.33 -0.75 4.32 4.10 3m34A1 ALA 571 H 0.07 0.07 -0.15 -0.55 8.40 7.85 3m34A1 ALA 571 HA 0.05 0.11 0.37 -0.75 4.34 4.11 3m34A1 ALA 571 HB3 0.08 0.01 0.04 -0.04 1.41 1.50 3m34A1 TYR 572 H 0.22 0.14 -0.33 -0.55 8.29 7.78 3m34A1 TYR 572 HA 0.20 0.03 0.38 -0.75 4.56 4.42 3m34A1 TYR 572 HB2 0.12 -0.08 0.08 -0.04 3.06 3.14 3m34A1 TYR 572 HB3 0.10 0.18 0.09 -0.04 2.98 3.31 3m34A1 TYR 572 HD2 0.24 0.03 -0.07 -0.04 7.15 7.31 3m34A1 TYR 572 HE2 -0.17 0.02 -0.00 -0.04 6.85 6.66 3m34A1 GLN 573 H 0.16 0.47 -0.12 -0.55 8.47 8.43 3m34A1 GLN 573 HA 0.17 0.01 0.32 -0.75 4.36 4.11 3m34A1 GLN 573 HB2 0.01 0.02 0.07 -0.04 2.15 2.21 3m34A1 GLN 573 HB3 -0.03 0.01 -0.02 -0.04 2.02 1.93 3m34A1 GLN 573 HG2 -0.66 -0.03 -0.03 -0.04 2.40 1.65 3m34A1 GLN 573 HG3 0.01 0.04 -0.12 -0.04 2.39 2.28 3m34A1 GLN 573 HE21 -0.06 -0.00 -0.02 -0.04 6.97 6.85 3m34A1 GLN 573 HE22 -0.44 0.32 0.04 -0.04 7.69 7.56 3m34A1 GLU 574 H 0.04 0.59 -0.20 -0.55 8.60 8.49 3m34A1 GLU 574 HA 0.03 0.10 0.38 -0.75 4.29 4.05 3m34A1 GLU 574 HB2 0.02 0.04 0.12 -0.04 2.09 2.23 3m34A1 GLU 574 HB3 0.01 -0.05 -0.06 -0.04 1.99 1.85 3m34A1 GLU 574 HG2 0.03 0.02 0.02 -0.04 2.34 2.36 3m34A1 GLU 574 HG3 0.03 0.06 0.04 -0.04 2.34 2.42 3m34A1 ARG 575 H -0.03 0.37 -0.30 -0.55 8.46 7.96 3m34A1 ARG 575 HA -0.08 0.02 0.42 -0.75 4.34 3.95 3m34A1 ARG 575 HB2 -0.12 -0.02 0.08 -0.04 1.90 1.80 3m34A1 ARG 575 HB3 -0.12 0.10 0.11 -0.04 1.80 1.85 3m34A1 ARG 575 HG2 -0.30 -0.02 -0.20 -0.04 1.67 1.10 3m34A1 ARG 575 HG3 -0.21 -0.02 0.03 -0.04 1.67 1.43 3m34A1 ARG 575 HD2 -0.37 -0.02 -0.02 -0.04 3.22 2.77 3m34A1 ARG 575 HD3 -1.00 -0.03 -0.03 -0.04 3.22 2.12 3m34A1 LEU 576 H -0.10 0.38 -0.22 -0.55 8.37 7.89 3m34A1 LEU 576 HA -0.06 -0.02 0.41 -0.75 4.35 3.92 3m34A1 LEU 576 HB2 -0.02 0.16 0.09 -0.04 1.64 1.83 3m34A1 LEU 576 HB3 -0.06 -0.07 -0.18 -0.04 1.64 1.29 3m34A1 LEU 576 HG -0.12 -0.11 -0.16 -0.04 1.64 1.21 3m34A1 LEU 576 HD13 -0.38 0.04 -0.09 -0.04 0.93 0.45 3m34A1 LEU 576 HD23 -0.23 0.00 -0.29 -0.04 0.89 0.33 3m34A1 LEU 577 H 0.03 0.53 -0.18 -0.55 8.37 8.20 3m34A1 LEU 577 HA 0.05 0.00 0.42 -0.75 4.35 4.06 3m34A1 LEU 577 HB2 0.08 0.02 0.14 -0.04 1.64 1.85 3m34A1 LEU 577 HB3 0.09 0.03 0.02 -0.04 1.64 1.74 3m34A1 LEU 577 HG 0.17 0.01 0.00 -0.04 1.64 1.79 3m34A1 LEU 577 HD13 0.21 0.01 -0.01 -0.04 0.93 1.10 3m34A1 LEU 577 HD23 0.11 -0.00 -0.17 -0.04 0.89 0.78 3m34A1 LYS 578 H 0.03 0.23 0.07 -0.55 8.42 8.20 3m34A1 LYS 578 HA 0.03 0.13 0.59 -0.75 4.32 4.33 3m34A1 LYS 578 HB2 0.01 -0.06 -0.07 -0.04 1.87 1.71 3m34A1 LYS 578 HB3 -0.00 -0.00 -0.12 -0.04 1.79 1.63 3m34A1 LYS 578 HG2 -0.01 0.15 -0.39 -0.04 1.46 1.16 3m34A1 LYS 578 HG3 -0.02 -0.09 -0.05 -0.04 1.46 1.25 3m34A1 LYS 578 HD2 -0.01 -0.11 -0.02 -0.04 1.69 1.50 3m34A1 LYS 578 HD3 0.00 0.15 -0.15 -0.04 1.68 1.64 3m34A1 LYS 578 HE2 -0.04 0.15 0.02 -0.04 2.99 3.08 3m34A1 LYS 578 HE3 -0.04 -0.11 -0.01 -0.04 2.99 2.79 3m34A1 GLY 579 H 0.02 0.06 0.07 -0.55 8.43 8.03 3m34A1 GLY 579 HA2 -0.04 -0.03 0.28 -0.51 4.01 3.71 3m34A1 GLY 579 HA3 -0.04 0.12 0.15 -0.51 4.01 3.74 3m34A1 GLU 580 H -0.05 0.61 0.27 -0.55 8.60 8.88 3m34A1 GLU 580 HA -0.03 0.03 0.69 -0.75 4.29 4.23 3m34A1 GLU 580 HB2 -0.03 -0.00 0.17 -0.04 2.09 2.19 3m34A1 GLU 580 HB3 0.27 0.03 0.25 -0.04 1.99 2.51 3m34A1 GLU 580 HG2 0.16 -0.03 -0.16 -0.04 2.34 2.27 3m34A1 GLU 580 HG3 -0.01 -0.04 0.04 -0.04 2.34 2.29 3m34A1 VAL 581 H 0.77 0.11 0.16 -0.55 8.24 8.74 3m34A1 VAL 581 HA 0.17 0.25 0.85 -0.75 4.13 4.64 3m34A1 VAL 581 HB 0.07 -0.22 0.26 -0.04 2.12 2.20 3m34A1 VAL 581 HG13 0.09 0.03 -0.12 -0.04 0.97 0.93 3m34A1 VAL 581 HG23 0.15 0.07 -0.25 -0.04 0.95 0.89 3m34A1 ILE 582 H 0.10 0.82 0.46 -0.55 8.25 9.08 3m34A1 ILE 582 HA 0.13 0.23 1.07 -0.75 4.18 4.85 3m34A1 ILE 582 HB 0.04 -0.05 0.15 -0.04 1.89 1.99 3m34A1 ILE 582 HG12 0.08 0.00 -0.08 -0.04 1.49 1.45 3m34A1 ILE 582 HG13 0.14 0.01 -0.25 -0.04 1.21 1.07 3m34A1 ILE 582 HG23 0.18 -0.02 -0.21 -0.04 0.93 0.85 3m34A1 ILE 582 HD13 0.04 0.03 -0.10 -0.04 0.88 0.81 3m34A1 GLY 583 H 0.05 0.67 0.35 -0.55 8.43 8.96 3m34A1 GLY 583 HA2 0.04 0.29 0.91 -0.51 4.01 4.75 3m34A1 GLY 583 HA3 0.04 -0.04 0.32 -0.51 4.01 3.83 3m34A1 VAL 584 H 0.06 0.54 0.38 -0.55 8.24 8.67 3m34A1 VAL 584 HA 0.17 0.36 1.07 -0.75 4.13 4.98 3m34A1 VAL 584 HB 0.06 -0.06 0.11 -0.04 2.12 2.19 3m34A1 VAL 584 HG13 0.23 -0.02 -0.09 -0.04 0.97 1.05 3m34A1 VAL 584 HG23 -0.02 0.04 -0.27 -0.04 0.95 0.66 3m34A1 GLU 585 H 0.25 0.67 0.31 -0.55 8.60 9.28 3m34A1 GLU 585 HA 0.08 0.01 0.75 -0.75 4.29 4.37 3m34A1 GLU 585 HB2 0.09 0.03 -0.10 -0.04 2.09 2.07 3m34A1 GLU 585 HB3 0.06 -0.03 -0.14 -0.04 1.99 1.84 3m34A1 GLU 585 HG2 0.05 -0.08 0.09 -0.04 2.34 2.36 3m34A1 GLU 585 HG3 0.07 0.07 -0.34 -0.04 2.34 2.10 3m34A1 ALA 586 H -0.07 0.09 0.08 -0.55 8.40 7.95 3m34A1 ALA 586 HA -0.18 0.21 0.69 -0.75 4.34 4.30 3m34A1 ALA 586 HB3 -0.30 -0.03 0.16 -0.04 1.41 1.20 3m34A1 ALA 587 H 0.07 0.65 0.04 -0.55 8.40 8.61 3m34A1 ALA 587 HA -0.00 0.14 0.61 -0.75 4.34 4.33 3m34A1 ALA 587 HB3 0.04 0.01 -0.21 -0.04 1.41 1.21 3m34A1 HIS 588 H 0.06 0.71 0.20 -0.55 8.41 8.84 3m34A1 HIS 588 HA -0.02 0.13 0.86 -0.75 4.63 4.84 3m34A1 HIS 588 HB2 -0.10 0.15 0.13 -0.04 3.26 3.41 3m34A1 HIS 588 HB3 -0.08 -0.10 0.18 -0.04 3.20 3.15 3m34A1 HIS 588 HD2 -0.01 -0.03 -0.06 -0.04 6.97 6.83 3m34A1 HIS 588 HE1 -0.05 0.02 0.01 -0.04 7.75 7.68 3m34A1 SER 589 H 0.04 0.30 -0.07 -0.55 8.46 8.19 3m34A1 SER 589 HA -0.10 0.15 0.77 -0.75 4.49 4.56 3m34A1 SER 589 HB2 -0.01 -0.02 -0.03 -0.04 3.95 3.85 3m34A1 SER 589 HB3 -0.02 0.01 -0.20 -0.04 3.93 3.68 3m34A1 ASN 590 H -0.21 0.29 -0.05 -0.55 8.53 8.02 3m34A1 ASN 590 HA 0.13 0.12 0.39 -0.75 4.76 4.64 3m34A1 ASN 590 HB2 -0.12 0.02 0.05 -0.04 2.88 2.78 3m34A1 ASN 590 HB3 0.07 0.08 -0.01 -0.04 2.79 2.89 3m34A1 ASN 590 HD21 0.01 0.03 -0.02 -0.04 7.03 7.01 3m34A1 ASN 590 HD22 -0.16 0.02 -0.02 -0.04 7.74 7.55 3m34A1 GLU 591 H -0.08 0.04 -0.26 -0.55 8.60 7.76 3m34A1 GLU 591 HA 0.03 0.15 0.46 -0.75 4.29 4.18 3m34A1 GLU 591 HB2 -0.22 0.09 0.01 -0.04 2.09 1.93 3m34A1 GLU 591 HB3 -0.18 0.04 0.03 -0.04 1.99 1.84 3m34A1 GLU 591 HG2 -0.31 0.02 -0.31 -0.04 2.34 1.69 3m34A1 GLU 591 HG3 -0.91 0.08 -0.13 -0.04 2.34 1.33 3m34A1 LEU 592 H 0.04 0.38 -0.52 -0.55 8.37 7.72 3m34A1 LEU 592 HA 0.41 0.07 0.36 -0.75 4.35 4.44 3m34A1 LEU 592 HB2 -0.05 0.13 -0.03 -0.04 1.64 1.65 3m34A1 LEU 592 HB3 0.08 -0.01 -0.04 -0.04 1.64 1.63 3m34A1 LEU 592 HG 0.09 -0.04 -0.07 -0.04 1.64 1.57 3m34A1 LEU 592 HD13 0.06 -0.02 -0.16 -0.04 0.93 0.77 3m34A1 LEU 592 HD23 0.33 0.00 -0.14 -0.04 0.89 1.03 3m34A1 TYR 593 H 0.11 0.44 -0.39 -0.55 8.29 7.89 3m34A1 TYR 593 HA 0.04 0.22 0.48 -0.75 4.56 4.55 3m34A1 TYR 593 HB2 0.01 0.10 0.06 -0.04 3.06 3.18 3m34A1 TYR 593 HB3 0.00 0.03 0.03 -0.04 2.98 3.00 3m34A1 TYR 593 HD2 0.03 0.17 0.04 -0.04 7.15 7.35 3m34A1 TYR 593 HE2 0.07 0.05 -0.04 -0.04 6.85 6.88 3m34A1 LYS 594 H 0.06 0.40 -0.43 -0.55 8.42 7.90 3m34A1 LYS 594 HA -0.16 0.05 0.49 -0.75 4.32 3.94 3m34A1 LYS 594 HB2 -0.10 -0.02 0.10 -0.04 1.87 1.81 3m34A1 LYS 594 HB3 -0.56 -0.01 0.02 -0.04 1.79 1.19 3m34A1 LYS 594 HG2 -1.31 0.01 -0.15 -0.04 1.46 -0.03 3m34A1 LYS 594 HG3 -0.38 -0.01 0.07 -0.04 1.46 1.09 3m34A1 LYS 594 HD2 -0.11 -0.03 -0.01 -0.04 1.69 1.50 3m34A1 LYS 594 HD3 -0.42 -0.03 -0.05 -0.04 1.68 1.15 3m34A1 LYS 594 HE2 -0.34 0.03 -0.02 -0.04 2.99 2.62 3m34A1 LYS 594 HE3 -0.21 -0.02 0.00 -0.04 2.99 2.72 3m34A1 PHE 595 H 0.05 0.38 -0.29 -0.55 8.34 7.93 3m34A1 PHE 595 HA -0.04 0.22 0.77 -0.75 4.62 4.82 3m34A1 PHE 595 HB2 0.08 -0.03 -0.08 -0.04 3.15 3.08 3m34A1 PHE 595 HB3 0.13 -0.04 -0.02 -0.04 3.06 3.10 3m34A1 PHE 595 HD2 -0.14 -0.01 -0.11 -0.04 7.28 6.98 3m34A1 PHE 595 HE2 -1.05 0.01 -0.13 -0.04 7.38 6.17 3m34A1 PHE 595 HZ -0.54 0.02 -0.25 -0.04 7.32 6.51 3m34A1 CYS 596 H 0.05 0.25 0.02 -0.55 8.50 8.27 3m34A1 CYS 596 HA -0.01 0.13 0.85 -0.75 4.58 4.80 3m34A1 CYS 596 HB2 -0.06 -0.06 -0.21 -0.04 2.97 2.60 3m34A1 CYS 596 HB3 0.03 0.10 -0.06 -0.04 2.97 3.00 3m34A1 HIS 597 H 0.03 0.26 0.31 -0.55 8.41 8.46 3m34A1 HIS 597 HA 0.16 0.14 0.85 -0.75 4.63 5.03 3m34A1 HIS 597 HB2 0.10 0.04 0.17 -0.04 3.26 3.53 3m34A1 HIS 597 HB3 0.10 -0.02 0.08 -0.04 3.20 3.31 3m34A1 HIS 597 HD2 0.07 -0.01 0.04 -0.04 6.97 7.02 3m34A1 HIS 597 HE1 0.05 0.19 0.02 -0.04 7.75 7.97 3m34A1 LYS 598 H 0.18 0.50 0.27 -0.55 8.42 8.82 3m34A1 LYS 598 HA 0.27 0.20 0.84 -0.75 4.32 4.88 3m34A1 LYS 598 HB2 0.24 -0.04 0.02 -0.04 1.87 2.05 3m34A1 LYS 598 HB3 0.40 -0.01 -0.01 -0.04 1.79 2.13 3m34A1 LYS 598 HG2 0.15 0.07 -0.06 -0.04 1.46 1.59 3m34A1 LYS 598 HG3 0.15 -0.06 -0.29 -0.04 1.46 1.22 3m34A1 LYS 598 HD2 -0.07 -0.00 -0.08 -0.04 1.69 1.50 3m34A1 LYS 598 HD3 -0.27 -0.01 -0.05 -0.04 1.68 1.31 3m34A1 LYS 598 HE2 -0.05 -0.02 -0.03 -0.04 2.99 2.85 3m34A1 LYS 598 HE3 -0.01 -0.02 -0.05 -0.04 2.99 2.87 3m34A1 VAL 599 H 0.12 0.26 0.11 -0.55 8.24 8.18 3m34A1 VAL 599 HA -0.04 0.17 0.91 -0.75 4.13 4.42 3m34A1 VAL 599 HB -0.29 -0.01 0.03 -0.04 2.12 1.80 3m34A1 VAL 599 HG13 -0.05 -0.02 -0.27 -0.04 0.97 0.60 3m34A1 VAL 599 HG23 -0.79 0.00 -0.35 -0.04 0.95 -0.23 3m34A1 TYR 600 H 0.08 0.90 0.25 -0.55 8.29 8.98 3m34A1 TYR 600 HA -0.37 0.12 0.80 -0.75 4.56 4.36 3m34A1 TYR 600 HB2 -0.45 0.01 0.01 -0.04 3.06 2.59 3m34A1 TYR 600 HB3 -0.18 -0.06 0.29 -0.04 2.98 3.00 3m34A1 TYR 600 HD2 -1.32 -0.06 -0.02 -0.04 7.15 5.71 3m34A1 TYR 600 HE2 -0.58 0.00 -0.09 -0.04 6.85 6.14 3m34A1 GLY 601 H -0.15 0.18 0.02 -0.55 8.43 7.93 3m34A1 GLY 601 HA2 0.20 0.38 0.96 -0.51 4.01 5.04 3m34A1 GLY 601 HA3 0.08 -0.04 0.40 -0.51 4.01 3.94 3m34A1 ILE 602 H 0.09 0.50 0.14 -0.55 8.25 8.43 3m34A1 ILE 602 HA 0.04 0.21 0.94 -0.75 4.18 4.62 3m34A1 ILE 602 HB -0.06 -0.09 -0.03 -0.04 1.89 1.68 3m34A1 ILE 602 HG12 0.29 0.17 -0.06 -0.04 1.49 1.84 3m34A1 ILE 602 HG13 0.24 -0.05 -0.17 -0.04 1.21 1.18 3m34A1 ILE 602 HG23 -0.23 0.01 -0.08 -0.04 0.93 0.59 3m34A1 ILE 602 HD13 -0.22 -0.01 -0.10 -0.04 0.88 0.51 3m34A1 GLU 603 H -0.06 0.19 0.12 -0.55 8.60 8.31 3m34A1 GLU 603 HA -0.68 0.16 0.85 -0.75 4.29 3.86 3m34A1 GLU 603 HB2 -0.11 0.03 0.04 -0.04 2.09 2.02 3m34A1 GLU 603 HB3 -0.22 0.02 0.12 -0.04 1.99 1.87 3m34A1 GLU 603 HG2 -0.04 -0.01 -0.11 -0.04 2.34 2.14 3m34A1 GLU 603 HG3 -0.04 -0.05 -0.26 -0.04 2.34 1.96 3m34A1 SER 604 H -0.10 0.06 -0.02 -0.55 8.46 7.85 3m34A1 SER 604 HA -0.24 0.20 0.90 -0.75 4.49 4.59 3m34A1 SER 604 HB2 0.04 -0.04 0.16 -0.04 3.95 4.07 3m34A1 SER 604 HB3 0.00 -0.02 -0.04 -0.04 3.93 3.83 3m34A1 PHE 605 H -0.05 0.10 0.13 -0.55 8.34 7.97 3m34A1 PHE 605 HA -0.09 0.11 0.67 -0.75 4.62 4.55 3m34A1 PHE 605 HB2 -0.01 0.03 0.11 -0.04 3.15 3.25 3m34A1 PHE 605 HB3 -0.03 -0.07 0.14 -0.04 3.06 3.06 3m34A1 PHE 605 HD2 -0.04 0.03 0.05 -0.04 7.28 7.28 3m34A1 PHE 605 HE2 -0.04 -0.01 -0.00 -0.04 7.38 7.29 3m34A1 PHE 605 HZ -0.03 0.01 -0.01 -0.04 7.32 7.25 3m34A1 GLY 606 H 0.10 0.08 0.09 -0.55 8.43 8.16 3m34A1 GLY 606 HA2 -0.33 0.16 0.42 -0.51 4.01 3.75 3m34A1 GLY 606 HA3 -0.13 -0.05 0.33 -0.51 4.01 3.66 3m34A1 GLU 607 H 0.05 0.23 0.15 -0.55 8.60 8.49 3m34A1 GLU 607 HA 0.09 0.14 0.73 -0.75 4.29 4.49 3m34A1 GLU 607 HB2 0.23 -0.07 -0.10 -0.04 2.09 2.12 3m34A1 GLU 607 HB3 0.09 0.08 -0.16 -0.04 1.99 1.96 3m34A1 GLU 607 HG2 0.35 0.05 -0.50 -0.04 2.34 2.20 3m34A1 GLU 607 HG3 0.08 0.00 -0.13 -0.04 2.34 2.25 3m34A1 SER 608 H 0.03 0.18 0.13 -0.55 8.46 8.25 3m34A1 SER 608 HA -0.01 0.20 0.71 -0.75 4.49 4.63 3m34A1 SER 608 HB2 -0.01 -0.02 0.02 -0.04 3.95 3.90 3m34A1 SER 608 HB3 0.00 -0.03 0.18 -0.04 3.93 4.04 3m34A1 GLY 609 H -0.01 0.40 -0.05 -0.55 8.43 8.23 3m34A1 GLY 609 HA2 0.00 0.06 0.17 -0.51 4.01 3.74 3m34A1 GLY 609 HA3 0.01 0.09 0.39 -0.51 4.01 3.99 3m34A1 LYS 610 H 0.01 0.19 0.11 -0.55 8.42 8.18 3m34A1 LYS 610 HA 0.01 0.07 0.60 -0.75 4.32 4.24 3m34A1 LYS 610 HB2 0.02 -0.02 0.15 -0.04 1.87 1.98 3m34A1 LYS 610 HB3 0.03 -0.04 0.08 -0.04 1.79 1.82 3m34A1 LYS 610 HG2 0.01 0.05 0.10 -0.04 1.46 1.58 3m34A1 LYS 610 HG3 0.01 0.03 0.11 -0.04 1.46 1.57 3m34A1 LYS 610 HD2 0.02 -0.00 0.05 -0.04 1.69 1.72 3m34A1 LYS 610 HD3 0.02 0.01 0.05 -0.04 1.68 1.72 3m34A1 LYS 610 HE2 0.01 0.02 0.04 -0.04 2.99 3.02 3m34A1 LYS 610 HE3 0.01 0.04 0.03 -0.04 2.99 3.03 3m34A1 ASP 611 H 0.01 0.19 0.24 -0.55 8.40 8.29 3m34A1 ASP 611 HA -0.06 0.12 0.35 -0.75 4.63 4.29 3m34A1 ASP 611 HB2 0.13 -0.05 0.11 -0.04 2.71 2.86 3m34A1 ASP 611 HB3 0.00 0.27 0.15 -0.04 2.70 3.08 3m34A1 LYS 612 H 0.08 0.09 -0.14 -0.55 8.42 7.89 3m34A1 LYS 612 HA 0.23 0.09 0.38 -0.75 4.32 4.26 3m34A1 LYS 612 HB2 0.07 -0.02 0.07 -0.04 1.87 1.95 3m34A1 LYS 612 HB3 0.08 0.07 0.04 -0.04 1.79 1.95 3m34A1 LYS 612 HG2 0.11 -0.01 0.02 -0.04 1.46 1.54 3m34A1 LYS 612 HG3 0.07 -0.03 0.07 -0.04 1.46 1.52 3m34A1 LYS 612 HD2 0.03 0.03 0.02 -0.04 1.69 1.73 3m34A1 LYS 612 HD3 0.04 0.03 0.02 -0.04 1.68 1.73 3m34A1 LYS 612 HE2 0.03 -0.02 0.01 -0.04 2.99 2.97 3m34A1 LYS 612 HE3 0.02 0.01 0.02 -0.04 2.99 2.99 3m34A1 ASP 613 H 0.06 0.07 -0.28 -0.55 8.40 7.71 3m34A1 ASP 613 HA 0.06 0.07 0.38 -0.75 4.63 4.39 3m34A1 ASP 613 HB2 0.04 0.07 0.08 -0.04 2.71 2.86 3m34A1 ASP 613 HB3 0.03 0.05 -0.04 -0.04 2.70 2.70 3m34A1 VAL 614 H 0.05 0.56 -0.19 -0.55 8.24 8.11 3m34A1 VAL 614 HA 0.13 0.07 0.39 -0.75 4.13 3.97 3m34A1 VAL 614 HB -0.11 0.05 0.05 -0.04 2.12 2.06 3m34A1 VAL 614 HG13 0.07 -0.01 -0.06 -0.04 0.97 0.93 3m34A1 VAL 614 HG23 0.02 0.04 -0.20 -0.04 0.95 0.77 3m34A1 PHE 615 H 0.15 0.63 -0.07 -0.55 8.34 8.50 3m34A1 PHE 615 HA 0.25 -0.02 0.29 -0.75 4.62 4.38 3m34A1 PHE 615 HB2 0.09 0.08 0.14 -0.04 3.15 3.42 3m34A1 PHE 615 HB3 0.17 0.11 0.00 -0.04 3.06 3.31 3m34A1 PHE 615 HD2 -0.03 0.04 -0.05 -0.04 7.28 7.19 3m34A1 PHE 615 HE2 -0.22 -0.03 0.01 -0.04 7.38 7.10 3m34A1 PHE 615 HZ -0.11 -0.12 0.02 -0.04 7.32 7.07 3m34A1 GLU 616 H 0.23 0.41 -0.36 -0.55 8.60 8.33 3m34A1 GLU 616 HA 0.16 -0.02 0.19 -0.75 4.29 3.87 3m34A1 GLU 616 HB2 0.11 0.02 0.09 -0.04 2.09 2.27 3m34A1 GLU 616 HB3 0.09 0.11 0.15 -0.04 1.99 2.30 3m34A1 GLU 616 HG2 0.05 -0.02 -0.04 -0.04 2.34 2.29 3m34A1 GLU 616 HG3 0.04 0.04 -0.21 -0.04 2.34 2.18 3m34A1 ARG 617 H 0.09 0.53 -0.11 -0.55 8.46 8.41 3m34A1 ARG 617 HA -0.08 0.02 0.38 -0.75 4.34 3.90 3m34A1 ARG 617 HB2 -0.07 -0.04 0.09 -0.04 1.90 1.83 3m34A1 ARG 617 HB3 -0.01 0.07 0.19 -0.04 1.80 2.01 3m34A1 ARG 617 HG2 -0.32 -0.07 -0.08 -0.04 1.67 1.15 3m34A1 ARG 617 HG3 -0.88 0.05 -0.44 -0.04 1.67 0.36 3m34A1 ARG 617 HD2 -0.27 0.02 0.04 -0.04 3.22 2.96 3m34A1 ARG 617 HD3 -0.15 -0.03 -0.00 -0.04 3.22 2.99 3m34A1 PHE 618 H 0.26 0.40 -0.36 -0.55 8.34 8.10 3m34A1 PHE 618 HA 0.00 0.14 0.66 -0.75 4.62 4.67 3m34A1 PHE 618 HB2 0.26 0.02 0.06 -0.04 3.15 3.45 3m34A1 PHE 618 HB3 0.27 -0.04 0.12 -0.04 3.06 3.36 3m34A1 PHE 618 HD2 0.01 0.11 0.02 -0.04 7.28 7.38 3m34A1 PHE 618 HE2 -0.01 -0.06 -0.07 -0.04 7.38 7.19 3m34A1 PHE 618 HZ 0.01 0.16 -0.07 -0.04 7.32 7.38 3m34A1 GLY 619 H 0.09 0.39 -0.47 -0.55 8.43 7.90 3m34A1 GLY 619 HA2 -0.00 0.00 0.25 -0.51 4.01 3.75 3m34A1 GLY 619 HA3 -0.18 0.14 0.49 -0.51 4.01 3.96 3m34A1 PHE 620 H 0.35 0.62 -0.10 -0.55 8.34 8.65 3m34A1 PHE 620 HA 0.18 0.14 0.61 -0.75 4.62 4.79 3m34A1 PHE 620 HB2 0.31 -0.03 0.10 -0.04 3.15 3.50 3m34A1 PHE 620 HB3 0.03 -0.08 0.03 -0.04 3.06 3.00 3m34A1 PHE 620 HD2 0.24 0.00 -0.13 -0.04 7.28 7.35 3m34A1 PHE 620 HE2 0.13 -0.00 -0.17 -0.04 7.38 7.29 3m34A1 PHE 620 HZ 0.02 0.07 -0.21 -0.04 7.32 7.16 3m34A1 SER 621 H 0.06 0.58 0.05 -0.55 8.46 8.60 3m34A1 SER 621 HA 0.06 0.14 0.62 -0.75 4.49 4.57 3m34A1 SER 621 HB2 0.04 -0.02 0.09 -0.04 3.95 4.02 3m34A1 SER 621 HB3 0.08 0.11 -0.19 -0.04 3.93 3.89 3m34A1 VAL 622 H 0.03 0.19 0.11 -0.55 8.24 8.01 3m34A1 VAL 622 HA -0.02 0.14 0.47 -0.75 4.13 3.97 3m34A1 VAL 622 HB 0.02 -0.01 0.11 -0.04 2.12 2.20 3m34A1 VAL 622 HG13 0.01 0.03 -0.13 -0.04 0.97 0.83 3m34A1 VAL 622 HG23 0.04 0.03 0.02 -0.04 0.95 1.00 3m34A1 SER 623 H 0.01 0.08 -0.10 -0.55 8.46 7.91 3m34A1 SER 623 HA -0.00 0.12 0.28 -0.75 4.49 4.14 3m34A1 SER 623 HB2 0.01 -0.05 0.05 -0.04 3.95 3.93 3m34A1 SER 623 HB3 0.01 0.09 -0.02 -0.04 3.93 3.96 3m34A1 LYS 624 H 0.01 0.01 -0.30 -0.55 8.42 7.58 3m34A1 LYS 624 HA 0.02 0.09 0.40 -0.75 4.32 4.07 3m34A1 LYS 624 HB2 0.03 0.05 0.09 -0.04 1.87 2.00 3m34A1 LYS 624 HB3 0.08 0.08 0.05 -0.04 1.79 1.96 3m34A1 LYS 624 HG2 0.03 0.04 -0.01 -0.04 1.46 1.47 3m34A1 LYS 624 HG3 0.03 -0.14 -0.03 -0.04 1.46 1.27 3m34A1 LYS 624 HD2 0.04 -0.06 -0.05 -0.04 1.69 1.58 3m34A1 LYS 624 HD3 0.02 0.06 0.01 -0.04 1.68 1.74 3m34A1 LYS 624 HE2 0.01 0.00 -0.03 -0.04 2.99 2.93 3m34A1 LYS 624 HE3 0.02 -0.09 -0.04 -0.04 2.99 2.84 3m34A1 LEU 625 H -0.11 0.46 -0.08 -0.55 8.37 8.10 3m34A1 LEU 625 HA -0.62 0.09 0.43 -0.75 4.35 3.49 3m34A1 LEU 625 HB2 -0.38 0.01 0.10 -0.04 1.64 1.32 3m34A1 LEU 625 HB3 -0.18 0.00 0.12 -0.04 1.64 1.54 3m34A1 LEU 625 HG -0.25 0.02 -0.23 -0.04 1.64 1.14 3m34A1 LEU 625 HD13 -0.78 0.00 0.01 -0.04 0.93 0.12 3m34A1 LEU 625 HD23 -0.14 -0.01 -0.12 -0.04 0.89 0.57 3m34A1 VAL 626 H -0.09 0.56 -0.07 -0.55 8.24 8.10 3m34A1 VAL 626 HA -0.15 0.03 0.44 -0.75 4.13 3.70 3m34A1 VAL 626 HB -0.04 0.05 0.13 -0.04 2.12 2.22 3m34A1 VAL 626 HG13 -0.05 0.01 -0.14 -0.04 0.97 0.74 3m34A1 VAL 626 HG23 -0.05 0.00 0.07 -0.04 0.95 0.93 3m34A1 ASN 627 H -0.03 0.53 -0.15 -0.55 8.53 8.33 3m34A1 ASN 627 HA -0.04 0.13 0.36 -0.75 4.76 4.46 3m34A1 ASN 627 HB2 0.02 0.08 0.16 -0.04 2.88 3.10 3m34A1 ASN 627 HB3 0.02 -0.12 0.01 -0.04 2.79 2.65 3m34A1 ASN 627 HD21 0.01 -0.06 -0.03 -0.04 7.03 6.90 3m34A1 ASN 627 HD22 0.02 -0.05 -0.05 -0.04 7.74 7.61 3m34A1 PHE 628 H 0.09 0.48 -0.24 -0.55 8.34 8.12 3m34A1 PHE 628 HA -0.02 -0.02 0.49 -0.75 4.62 4.32 3m34A1 PHE 628 HB2 0.07 0.00 0.13 -0.04 3.15 3.32 3m34A1 PHE 628 HB3 -0.24 0.13 0.22 -0.04 3.06 3.13 3m34A1 PHE 628 HD2 -0.02 0.01 -0.08 -0.04 7.28 7.16 3m34A1 PHE 628 HE2 0.07 -0.03 -0.10 -0.04 7.38 7.29 3m34A1 PHE 628 HZ 0.12 -0.03 -0.09 -0.04 7.32 7.27 3m34A1 ILE 629 H -0.07 0.57 -0.07 -0.55 8.25 8.13 3m34A1 ILE 629 HA -0.30 0.00 0.30 -0.75 4.18 3.42 3m34A1 ILE 629 HB -0.36 0.08 0.16 -0.04 1.89 1.74 3m34A1 ILE 629 HG12 -0.20 -0.03 -0.01 -0.04 1.49 1.20 3m34A1 ILE 629 HG13 -0.06 0.03 0.04 -0.04 1.21 1.18 3m34A1 ILE 629 HG23 -1.19 -0.01 -0.11 -0.04 0.93 -0.42 3m34A1 ILE 629 HD13 -0.22 -0.04 -0.13 -0.04 0.88 0.45 3m34A1 LEU 630 H -0.21 0.46 -0.31 -0.55 8.37 7.76 3m34A1 LEU 630 HA -0.20 0.07 0.43 -0.75 4.35 3.90 3m34A1 LEU 630 HB2 -0.11 0.06 0.02 -0.04 1.64 1.57 3m34A1 LEU 630 HB3 -0.08 -0.03 0.08 -0.04 1.64 1.56 3m34A1 LEU 630 HG -0.29 0.02 -0.04 -0.04 1.64 1.29 3m34A1 LEU 630 HD13 -0.01 -0.03 -0.08 -0.04 0.93 0.77 3m34A1 LEU 630 HD23 -0.59 0.00 -0.10 -0.04 0.89 0.16 3m34A1 SER 631 H -0.23 0.36 -0.83 -0.55 8.46 7.22 3m34A1 SER 631 HA -0.19 0.02 0.32 -0.75 4.49 3.89 3m34A1 SER 631 HB2 -0.09 -0.11 0.16 -0.04 3.95 3.87 3m34A1 SER 631 HB3 -0.16 0.03 0.02 -0.04 3.93 3.78 3m34A1 LYS 632 H -0.06 0.63 -0.12 -0.55 8.42 8.32 3m34A1 LYS 632 HA -0.01 -0.03 0.09 -0.75 4.32 3.62