data_25454 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25454 _Entry.PDB_ID 2MYJ save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 25454 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ASN N N 2 118.440 118.440 117.581 0.859 25454 2 1 1 . 1 1 2 2 ASN HA H 2 4.660 4.660 4.592 0.068 25454 3 1 1 . 1 1 2 2 ASN C C 2 174.884 174.884 175.275 -0.391 25454 4 1 1 . 1 1 2 2 ASN CA C 2 53.730 53.730 53.306 0.424 25454 5 1 1 . 1 1 2 2 ASN CB C 2 38.500 38.500 38.349 0.151 25454 6 1 1 . 1 1 2 2 ASN H H 2 8.869 8.869 8.405 0.464 25454 7 1 1 . 1 1 3 3 GLU N N 3 121.390 121.390 119.605 1.785 25454 8 1 1 . 1 1 3 3 GLU HA H 3 4.416 4.416 4.165 0.251 25454 9 1 1 . 1 1 3 3 GLU C C 3 175.916 175.916 176.270 -0.354 25454 10 1 1 . 1 1 3 3 GLU CA C 3 56.300 56.300 56.795 -0.495 25454 11 1 1 . 1 1 3 3 GLU CB C 3 29.810 29.810 29.923 -0.113 25454 12 1 1 . 1 1 3 3 GLU H H 3 8.560 8.560 8.574 -0.014 25454 13 1 1 . 1 1 4 4 SER N N 4 118.190 118.190 113.377 4.813 25454 14 1 1 . 1 1 4 4 SER HA H 4 4.716 4.716 4.263 0.453 25454 15 1 1 . 1 1 4 4 SER C C 4 175.686 175.686 175.091 0.595 25454 16 1 1 . 1 1 4 4 SER CA C 4 57.890 57.890 57.536 0.354 25454 17 1 1 . 1 1 4 4 SER CB C 4 65.080 65.080 62.798 2.282 25454 18 1 1 . 1 1 4 4 SER H H 4 8.802 8.802 7.863 0.939 25454 19 1 1 . 1 1 5 5 ALA N N 5 128.990 128.990 128.673 0.317 25454 20 1 1 . 1 1 5 5 ALA HA H 5 4.142 4.142 4.102 0.040 25454 21 1 1 . 1 1 5 5 ALA C C 5 179.112 179.112 178.793 0.319 25454 22 1 1 . 1 1 5 5 ALA CA C 5 55.880 55.880 54.814 1.066 25454 23 1 1 . 1 1 5 5 ALA CB C 5 18.110 18.110 19.032 -0.922 25454 24 1 1 . 1 1 5 5 ALA H H 5 8.992 8.992 9.041 -0.049 25454 25 1 1 . 1 1 6 6 LYS N N 6 114.810 114.810 114.380 0.430 25454 26 1 1 . 1 1 6 6 LYS HA H 6 3.221 3.221 3.181 0.040 25454 27 1 1 . 1 1 6 6 LYS C C 6 177.448 177.448 176.133 1.315 25454 28 1 1 . 1 1 6 6 LYS CA C 6 57.740 57.740 57.091 0.649 25454 29 1 1 . 1 1 6 6 LYS CB C 6 31.830 31.830 31.091 0.739 25454 30 1 1 . 1 1 6 6 LYS H H 6 7.776 7.776 8.119 -0.343 25454 31 1 1 . 1 1 7 7 ASP N N 7 119.190 119.190 118.626 0.564 25454 32 1 1 . 1 1 7 7 ASP HA H 7 4.748 4.748 4.832 -0.084 25454 33 1 1 . 1 1 7 7 ASP C C 7 176.254 176.254 175.367 0.887 25454 34 1 1 . 1 1 7 7 ASP CA C 7 53.800 53.800 52.745 1.055 25454 35 1 1 . 1 1 7 7 ASP CB C 7 41.560 41.560 41.633 -0.073 25454 36 1 1 . 1 1 7 7 ASP H H 7 7.744 7.744 7.576 0.168 25454 37 1 1 . 1 1 8 8 MET N N 8 122.540 122.540 121.118 1.422 25454 38 1 1 . 1 1 8 8 MET HA H 8 4.502 4.502 4.405 0.097 25454 39 1 1 . 1 1 8 8 MET C C 8 176.932 176.932 175.868 1.064 25454 40 1 1 . 1 1 8 8 MET CA C 8 56.390 56.390 56.639 -0.249 25454 41 1 1 . 1 1 8 8 MET CB C 8 35.300 35.300 33.226 2.074 25454 42 1 1 . 1 1 8 8 MET H H 8 7.925 7.925 7.359 0.566 25454 43 1 1 . 1 1 9 9 THR N N 9 121.410 121.410 121.447 -0.037 25454 44 1 1 . 1 1 9 9 THR HA H 9 4.794 4.794 4.373 0.421 25454 45 1 1 . 1 1 9 9 THR C C 9 176.198 176.198 175.425 0.773 25454 46 1 1 . 1 1 9 9 THR CA C 9 61.960 61.960 62.776 -0.816 25454 47 1 1 . 1 1 9 9 THR CB C 9 72.200 72.200 70.322 1.878 25454 48 1 1 . 1 1 9 9 THR H H 9 9.927 9.927 8.190 1.737 25454 49 1 1 . 1 1 10 10 CYS N N 10 121.150 121.150 126.043 -4.893 25454 50 1 1 . 1 1 10 10 CYS HA H 10 4.685 4.685 4.302 0.383 25454 51 1 1 . 1 1 10 10 CYS C C 10 177.324 177.324 176.986 0.338 25454 52 1 1 . 1 1 10 10 CYS CA C 10 56.970 56.970 62.548 -5.578 25454 53 1 1 . 1 1 10 10 CYS CB C 10 32.440 32.440 25.881 6.559 25454 54 1 1 . 1 1 10 10 CYS H H 10 9.765 9.765 8.869 0.896 25454 55 1 1 . 1 1 11 11 GLN N N 11 121.360 121.360 119.574 1.786 25454 56 1 1 . 1 1 11 11 GLN HA H 11 3.894 3.894 4.125 -0.231 25454 57 1 1 . 1 1 11 11 GLN C C 11 176.902 176.902 177.336 -0.434 25454 58 1 1 . 1 1 11 11 GLN CA C 11 58.680 58.680 58.530 0.150 25454 59 1 1 . 1 1 11 11 GLN CB C 11 28.900 28.900 28.340 0.560 25454 60 1 1 . 1 1 11 11 GLN H H 11 8.583 8.583 8.248 0.335 25454 61 1 1 . 1 1 12 12 GLU N N 12 117.090 117.090 119.336 -2.246 25454 62 1 1 . 1 1 12 12 GLU HA H 12 3.983 3.983 4.135 -0.152 25454 63 1 1 . 1 1 12 12 GLU C C 12 179.763 179.763 178.108 1.655 25454 64 1 1 . 1 1 12 12 GLU CA C 12 59.528 59.528 57.842 1.686 25454 65 1 1 . 1 1 12 12 GLU CB C 12 31.830 31.830 30.003 1.827 25454 66 1 1 . 1 1 12 12 GLU H H 12 7.867 7.867 7.701 0.166 25454 67 1 1 . 1 1 13 13 PHE N N 13 119.630 119.630 120.987 -1.357 25454 68 1 1 . 1 1 13 13 PHE HA H 13 4.269 4.269 4.233 0.036 25454 69 1 1 . 1 1 13 13 PHE C C 13 176.432 176.432 178.246 -1.814 25454 70 1 1 . 1 1 13 13 PHE CA C 13 61.150 61.150 61.206 -0.056 25454 71 1 1 . 1 1 13 13 PHE CB C 13 39.520 39.520 39.516 0.004 25454 72 1 1 . 1 1 13 13 PHE H H 13 8.182 8.182 8.511 -0.329 25454 73 1 1 . 1 1 14 14 ILE N N 14 114.180 114.180 114.023 0.157 25454 74 1 1 . 1 1 14 14 ILE HA H 14 3.761 3.761 3.779 -0.018 25454 75 1 1 . 1 1 14 14 ILE C C 14 177.089 177.089 175.811 1.278 25454 76 1 1 . 1 1 14 14 ILE CA C 14 63.030 63.030 63.015 0.015 25454 77 1 1 . 1 1 14 14 ILE CB C 14 36.740 36.740 37.182 -0.442 25454 78 1 1 . 1 1 14 14 ILE H H 14 8.191 8.191 8.020 0.171 25454 79 1 1 . 1 1 15 15 ASP N N 15 120.260 120.260 119.572 0.688 25454 80 1 1 . 1 1 15 15 ASP HA H 15 4.716 4.716 4.636 0.080 25454 81 1 1 . 1 1 15 15 ASP C C 15 174.697 174.697 176.694 -1.997 25454 82 1 1 . 1 1 15 15 ASP CA C 15 54.080 54.080 53.769 0.311 25454 83 1 1 . 1 1 15 15 ASP CB C 15 40.810 40.810 42.974 -2.164 25454 84 1 1 . 1 1 15 15 ASP H H 15 7.478 7.478 7.558 -0.080 25454 85 1 1 . 1 1 16 16 LEU N N 16 122.985 122.985 119.637 3.348 25454 86 1 1 . 1 1 16 16 LEU HA H 16 4.067 4.067 4.241 -0.174 25454 87 1 1 . 1 1 16 16 LEU C C 16 176.710 176.710 175.917 0.793 25454 88 1 1 . 1 1 16 16 LEU CA C 16 55.028 55.028 55.204 -0.176 25454 89 1 1 . 1 1 16 16 LEU CB C 16 43.370 43.370 42.558 0.812 25454 90 1 1 . 1 1 16 16 LEU H H 16 7.226 7.226 7.458 -0.232 25454 91 1 1 . 1 1 17 17 ASN N N 17 119.620 119.620 119.068 0.552 25454 92 1 1 . 1 1 17 17 ASN HA H 17 4.634 4.634 4.741 -0.107 25454 93 1 1 . 1 1 17 17 ASN CA C 17 52.048 52.048 51.363 0.685 25454 94 1 1 . 1 1 17 17 ASN CB C 17 39.480 39.480 38.602 0.877 25454 95 1 1 . 1 1 17 17 ASN H H 17 7.265 7.265 8.366 -1.101 25454 96 1 1 . 1 1 18 18 PRO HA H 18 4.137 4.137 4.143 -0.006 25454 97 1 1 . 1 1 18 18 PRO C C 18 179.247 179.247 177.942 1.305 25454 98 1 1 . 1 1 18 18 PRO CA C 18 65.370 65.370 64.500 0.870 25454 99 1 1 . 1 1 18 18 PRO CB C 18 32.610 32.610 31.965 0.645 25454 100 1 1 . 1 1 19 19 LYS N N 19 116.450 116.450 118.886 -2.436 25454 101 1 1 . 1 1 19 19 LYS HA H 19 3.856 3.856 3.942 -0.086 25454 102 1 1 . 1 1 19 19 LYS C C 19 176.995 176.995 178.962 -1.967 25454 103 1 1 . 1 1 19 19 LYS CA C 19 59.080 59.080 59.656 -0.576 25454 104 1 1 . 1 1 19 19 LYS CB C 19 34.940 34.940 31.942 2.998 25454 105 1 1 . 1 1 19 19 LYS H H 19 8.445 8.445 8.833 -0.388 25454 106 1 1 . 1 1 20 20 ALA N N 20 116.170 116.170 121.218 -5.048 25454 107 1 1 . 1 1 20 20 ALA HA H 20 4.255 4.255 4.256 -0.001 25454 108 1 1 . 1 1 20 20 ALA C C 20 177.511 177.511 179.515 -2.004 25454 109 1 1 . 1 1 20 20 ALA CA C 20 51.640 51.640 54.068 -2.428 25454 110 1 1 . 1 1 20 20 ALA CB C 20 21.660 21.660 18.043 3.617 25454 111 1 1 . 1 1 20 20 ALA H H 20 8.400 8.400 7.681 0.719 25454 112 1 1 . 1 1 21 21 MET N N 21 117.850 117.850 118.126 -0.276 25454 113 1 1 . 1 1 21 21 MET HA H 21 3.645 3.645 3.979 -0.334 25454 114 1 1 . 1 1 21 21 MET C C 21 177.511 177.511 178.200 -0.689 25454 115 1 1 . 1 1 21 21 MET CA C 21 61.418 61.418 59.930 1.488 25454 116 1 1 . 1 1 21 21 MET CB C 21 33.220 33.220 32.363 0.857 25454 117 1 1 . 1 1 21 21 MET H H 21 7.206 7.206 8.061 -0.855 25454 118 1 1 . 1 1 22 22 THR N N 22 114.690 114.690 115.511 -0.821 25454 119 1 1 . 1 1 22 22 THR HA H 22 4.115 4.115 4.176 -0.061 25454 120 1 1 . 1 1 22 22 THR CA C 22 69.550 69.550 68.556 0.994 25454 121 1 1 . 1 1 22 22 THR CB C 22 65.700 65.700 66.963 -1.263 25454 122 1 1 . 1 1 22 22 THR H H 22 8.695 8.695 7.740 0.955 25454 123 1 1 . 1 1 23 23 PRO HA H 23 3.550 3.550 4.145 -0.595 25454 124 1 1 . 1 1 23 23 PRO C C 23 178.637 178.637 178.531 0.106 25454 125 1 1 . 1 1 23 23 PRO CA C 23 65.770 65.770 65.626 0.144 25454 126 1 1 . 1 1 23 23 PRO CB C 23 31.182 31.182 31.182 0.000 25454 127 1 1 . 1 1 24 24 VAL N N 24 115.820 115.820 119.780 -3.960 25454 128 1 1 . 1 1 24 24 VAL HA H 24 3.675 3.675 3.726 -0.051 25454 129 1 1 . 1 1 24 24 VAL C C 24 177.464 177.464 178.040 -0.576 25454 130 1 1 . 1 1 24 24 VAL CA C 24 67.490 67.490 66.888 0.603 25454 131 1 1 . 1 1 24 24 VAL CB C 24 31.970 31.970 31.273 0.698 25454 132 1 1 . 1 1 24 24 VAL H H 24 7.441 7.441 7.615 -0.174 25454 133 1 1 . 1 1 25 25 ALA N N 25 122.670 122.670 123.115 -0.445 25454 134 1 1 . 1 1 25 25 ALA HA H 25 3.783 3.783 4.043 -0.260 25454 135 1 1 . 1 1 25 25 ALA C C 25 178.497 178.497 178.833 -0.336 25454 136 1 1 . 1 1 25 25 ALA CA C 25 55.620 55.620 55.636 -0.016 25454 137 1 1 . 1 1 25 25 ALA CB C 25 18.852 18.852 18.512 0.341 25454 138 1 1 . 1 1 25 25 ALA H H 25 8.805 8.805 8.413 0.392 25454 139 1 1 . 1 1 26 26 TRP N N 26 118.270 118.270 120.489 -2.219 25454 140 1 1 . 1 1 26 26 TRP HA H 26 3.709 3.709 4.186 -0.477 25454 141 1 1 . 1 1 26 26 TRP C C 26 178.309 178.309 177.441 0.868 25454 142 1 1 . 1 1 26 26 TRP CA C 26 63.940 63.940 58.913 5.027 25454 143 1 1 . 1 1 26 26 TRP CB C 26 29.740 29.740 30.031 -0.291 25454 144 1 1 . 1 1 26 26 TRP H H 26 9.181 9.181 7.500 1.681 25454 145 1 1 . 1 1 27 27 TRP N N 27 119.740 119.740 121.615 -1.875 25454 146 1 1 . 1 1 27 27 TRP HA H 27 4.118 4.118 4.316 -0.198 25454 147 1 1 . 1 1 27 27 TRP C C 27 177.511 177.511 178.282 -0.771 25454 148 1 1 . 1 1 27 27 TRP CA C 27 60.588 60.588 60.134 0.454 25454 149 1 1 . 1 1 27 27 TRP CB C 27 30.021 30.021 30.123 -0.102 25454 150 1 1 . 1 1 27 27 TRP H H 27 8.527 8.527 8.757 -0.230 25454 151 1 1 . 1 1 28 28 MET N N 28 119.130 119.130 118.964 0.166 25454 152 1 1 . 1 1 28 28 MET HA H 28 3.618 3.618 3.256 0.362 25454 153 1 1 . 1 1 28 28 MET C C 28 177.587 177.587 178.631 -1.044 25454 154 1 1 . 1 1 28 28 MET CA C 28 58.540 58.540 57.812 0.729 25454 155 1 1 . 1 1 28 28 MET CB C 28 29.392 29.392 31.994 -2.602 25454 156 1 1 . 1 1 28 28 MET H H 28 7.756 7.756 8.207 -0.451 25454 157 1 1 . 1 1 29 29 LEU N N 29 117.820 117.820 119.525 -1.705 25454 158 1 1 . 1 1 29 29 LEU HA H 29 3.559 3.559 4.058 -0.499 25454 159 1 1 . 1 1 29 29 LEU C C 29 179.417 179.417 178.227 1.190 25454 160 1 1 . 1 1 29 29 LEU CA C 29 57.043 57.043 57.239 -0.196 25454 161 1 1 . 1 1 29 29 LEU CB C 29 42.676 42.676 41.586 1.090 25454 162 1 1 . 1 1 29 29 LEU H H 29 7.838 7.838 8.208 -0.370 25454 163 1 1 . 1 1 30 30 HIS N N 30 113.790 113.790 113.582 0.208 25454 164 1 1 . 1 1 30 30 HIS HA H 30 4.059 4.059 4.643 -0.584 25454 165 1 1 . 1 1 30 30 HIS C C 30 176.289 176.289 174.443 1.846 25454 166 1 1 . 1 1 30 30 HIS CA C 30 56.030 56.030 53.116 2.914 25454 167 1 1 . 1 1 30 30 HIS CB C 30 29.216 29.216 29.233 -0.017 25454 168 1 1 . 1 1 30 30 HIS H H 30 7.757 7.757 8.162 -0.405 25454 169 1 1 . 1 1 31 31 GLU N N 31 125.870 125.870 119.914 5.956 25454 170 1 1 . 1 1 31 31 GLU HA H 31 4.450 4.450 3.802 0.648 25454 171 1 1 . 1 1 31 31 GLU C C 31 176.775 176.775 175.565 1.210 25454 172 1 1 . 1 1 31 31 GLU CA C 31 56.160 56.160 57.478 -1.318 25454 173 1 1 . 1 1 31 31 GLU CB C 31 28.386 28.386 27.843 0.543 25454 174 1 1 . 1 1 31 31 GLU H H 31 8.916 8.916 7.709 1.207 25454 175 1 1 . 1 1 32 32 GLU N N 32 116.185 116.185 115.535 0.650 25454 176 1 1 . 1 1 32 32 GLU HA H 32 3.563 3.563 3.621 -0.058 25454 177 1 1 . 1 1 32 32 GLU C C 32 174.994 174.994 175.953 -0.959 25454 178 1 1 . 1 1 32 32 GLU CA C 32 58.090 58.090 57.365 0.725 25454 179 1 1 . 1 1 32 32 GLU CB C 32 26.783 26.783 27.975 -1.192 25454 180 1 1 . 1 1 32 32 GLU H H 32 9.330 9.330 8.470 0.860 25454 181 1 1 . 1 1 33 33 THR N N 33 110.202 110.202 112.773 -2.571 25454 182 1 1 . 1 1 33 33 THR HA H 33 4.696 4.696 4.157 0.539 25454 183 1 1 . 1 1 33 33 THR C C 33 173.529 173.529 175.823 -2.294 25454 184 1 1 . 1 1 33 33 THR CA C 33 60.129 60.129 62.831 -2.702 25454 185 1 1 . 1 1 33 33 THR CB C 33 71.864 71.864 69.832 2.031 25454 186 1 1 . 1 1 33 33 THR H H 33 7.620 7.620 7.559 0.061 25454 187 1 1 . 1 1 34 34 VAL N N 34 121.967 121.967 125.627 -3.660 25454 188 1 1 . 1 1 34 34 VAL HA H 34 4.139 4.139 4.142 -0.003 25454 189 1 1 . 1 1 34 34 VAL C C 34 172.579 172.579 175.647 -3.068 25454 190 1 1 . 1 1 34 34 VAL CA C 34 63.032 63.032 62.661 0.371 25454 191 1 1 . 1 1 34 34 VAL CB C 34 32.594 32.594 31.596 0.998 25454 192 1 1 . 1 1 34 34 VAL H H 34 8.308 8.308 8.545 -0.237 25454 193 1 1 . 1 1 35 35 TYR N N 35 129.550 129.550 119.175 10.375 25454 194 1 1 . 1 1 35 35 TYR HA H 35 4.562 4.562 4.130 0.432 25454 195 1 1 . 1 1 35 35 TYR CA C 35 58.660 58.660 59.125 -0.465 25454 196 1 1 . 1 1 35 35 TYR CB C 35 39.520 39.520 37.853 1.667 25454 197 1 1 . 1 1 35 35 TYR H H 35 8.610 8.610 7.822 0.788 25454 198 1 1 . 1 1 36 36 LYS N N 36 129.360 129.360 128.066 1.294 25454 199 1 1 . 1 1 36 36 LYS HA H 36 4.411 4.411 4.541 -0.130 25454 200 1 1 . 1 1 36 36 LYS CA C 36 55.626 55.626 55.194 0.432 25454 201 1 1 . 1 1 36 36 LYS CB C 36 32.790 32.790 34.606 -1.816 25454 202 1 1 . 1 1 36 36 LYS H H 36 8.509 8.509 7.834 0.675 25454 203 1 1 . 1 1 37 37 GLY N N 37 109.150 109.150 107.471 1.679 25454 204 1 1 . 1 1 37 37 GLY C C 37 174.428 174.428 173.894 0.534 25454 205 1 1 . 1 1 37 37 GLY CA C 37 46.427 46.427 45.734 0.693 25454 206 1 1 . 1 1 37 37 GLY H H 37 6.819 6.819 8.672 -1.853 25454 207 1 1 . 1 1 38 38 GLY N N 38 110.780 110.780 107.650 3.130 25454 208 1 1 . 1 1 38 38 GLY C C 38 174.108 174.108 172.098 2.010 25454 209 1 1 . 1 1 38 38 GLY CA C 38 44.972 44.972 45.079 -0.107 25454 210 1 1 . 1 1 38 38 GLY H H 38 8.365 8.365 7.688 0.677 25454 211 1 1 . 1 1 39 39 ASP N N 39 120.800 120.800 117.769 3.031 25454 212 1 1 . 1 1 39 39 ASP HA H 39 4.789 4.789 4.880 -0.091 25454 213 1 1 . 1 1 39 39 ASP C C 39 177.820 177.820 176.983 0.837 25454 214 1 1 . 1 1 39 39 ASP CA C 39 55.340 55.340 54.056 1.284 25454 215 1 1 . 1 1 39 39 ASP CB C 39 41.150 41.150 41.045 0.105 25454 216 1 1 . 1 1 39 39 ASP H H 39 8.476 8.476 8.438 0.038 25454 217 1 1 . 1 1 40 40 THR N N 40 111.201 111.201 118.962 -7.761 25454 218 1 1 . 1 1 40 40 THR HA H 40 3.753 3.753 4.378 -0.625 25454 219 1 1 . 1 1 40 40 THR C C 40 175.526 175.526 174.868 0.658 25454 220 1 1 . 1 1 40 40 THR CA C 40 60.300 60.300 62.615 -2.315 25454 221 1 1 . 1 1 40 40 THR CB C 40 71.278 71.278 66.939 4.339 25454 222 1 1 . 1 1 40 40 THR H H 40 8.132 8.132 8.282 -0.150 25454 223 1 1 . 1 1 41 41 VAL N N 41 125.014 125.014 119.065 5.949 25454 224 1 1 . 1 1 41 41 VAL HA H 41 3.831 3.831 3.021 0.810 25454 225 1 1 . 1 1 41 41 VAL C C 41 174.100 174.100 175.691 -1.591 25454 226 1 1 . 1 1 41 41 VAL CA C 41 63.988 63.988 62.922 1.066 25454 227 1 1 . 1 1 41 41 VAL CB C 41 30.465 30.465 30.592 -0.127 25454 228 1 1 . 1 1 41 41 VAL H H 41 8.278 8.278 7.485 0.793 25454 229 1 1 . 1 1 42 42 THR N N 42 121.970 121.970 114.372 7.598 25454 230 1 1 . 1 1 42 42 THR HA H 42 4.603 4.603 4.225 0.378 25454 231 1 1 . 1 1 42 42 THR C C 42 172.978 172.978 174.421 -1.443 25454 232 1 1 . 1 1 42 42 THR CA C 42 60.166 60.166 62.327 -2.161 25454 233 1 1 . 1 1 42 42 THR CB C 42 70.588 70.588 69.550 1.038 25454 234 1 1 . 1 1 42 42 THR H H 42 7.849 7.849 7.445 0.404 25454 235 1 1 . 1 1 43 43 LEU N N 43 122.979 122.979 124.715 -1.736 25454 236 1 1 . 1 1 43 43 LEU HA H 43 5.041 5.041 4.379 0.662 25454 237 1 1 . 1 1 43 43 LEU CA C 43 55.072 55.072 55.434 -0.362 25454 238 1 1 . 1 1 43 43 LEU CB C 43 42.661 42.661 42.031 0.630 25454 239 1 1 . 1 1 43 43 LEU H H 43 8.310 8.310 8.679 -0.369 25454 240 1 1 . 1 1 44 44 ASN N N 44 124.579 124.579 125.413 -0.834 25454 241 1 1 . 1 1 44 44 ASN HA H 44 5.135 5.135 4.873 0.262 25454 242 1 1 . 1 1 44 44 ASN C C 44 175.736 175.736 175.714 0.022 25454 243 1 1 . 1 1 44 44 ASN CA C 44 50.814 50.814 52.681 -1.867 25454 244 1 1 . 1 1 44 44 ASN CB C 44 40.280 40.280 39.809 0.471 25454 245 1 1 . 1 1 44 44 ASN H H 44 9.542 9.542 9.135 0.407 25454 246 1 1 . 1 1 45 45 GLU N N 45 118.210 118.210 121.378 -3.168 25454 247 1 1 . 1 1 45 45 GLU HA H 45 4.088 4.088 4.092 -0.004 25454 248 1 1 . 1 1 45 45 GLU C C 45 179.010 179.010 178.680 0.330 25454 249 1 1 . 1 1 45 45 GLU CA C 45 60.349 60.349 59.956 0.393 25454 250 1 1 . 1 1 45 45 GLU CB C 45 28.908 28.908 29.622 -0.714 25454 251 1 1 . 1 1 45 45 GLU H H 45 8.752 8.752 9.042 -0.290 25454 252 1 1 . 1 1 46 46 THR N N 46 116.430 116.430 114.265 2.165 25454 253 1 1 . 1 1 46 46 THR HA H 46 4.114 4.114 4.003 0.111 25454 254 1 1 . 1 1 46 46 THR C C 46 176.994 176.994 176.041 0.953 25454 255 1 1 . 1 1 46 46 THR CA C 46 66.260 66.260 67.602 -1.342 25454 256 1 1 . 1 1 46 46 THR CB C 46 68.270 68.270 68.363 -0.093 25454 257 1 1 . 1 1 46 46 THR H H 46 8.043 8.043 8.552 -0.509 25454 258 1 1 . 1 1 47 47 ASP N N 47 124.380 124.380 122.521 1.859 25454 259 1 1 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.487 -0.143 25454 260 1 1 . 1 1 47 47 ASP C C 47 178.914 178.914 178.756 0.158 25454 261 1 1 . 1 1 47 47 ASP CA C 47 58.630 58.630 57.158 1.472 25454 262 1 1 . 1 1 47 47 ASP CB C 47 42.350 42.350 39.945 2.405 25454 263 1 1 . 1 1 47 47 ASP H H 47 8.475 8.475 8.348 0.127 25454 264 1 1 . 1 1 48 48 LEU N N 48 116.889 116.889 119.371 -2.482 25454 265 1 1 . 1 1 48 48 LEU HA H 48 4.118 4.118 4.078 0.040 25454 266 1 1 . 1 1 48 48 LEU C C 48 175.839 175.839 179.195 -3.356 25454 267 1 1 . 1 1 48 48 LEU CA C 48 57.432 57.432 58.023 -0.591 25454 268 1 1 . 1 1 48 48 LEU CB C 48 41.430 41.430 41.880 -0.450 25454 269 1 1 . 1 1 48 48 LEU H H 48 8.082 8.082 8.592 -0.510 25454 270 1 1 . 1 1 49 49 THR N N 49 112.550 112.550 114.544 -1.994 25454 271 1 1 . 1 1 49 49 THR HA H 49 4.310 4.310 4.161 0.149 25454 272 1 1 . 1 1 49 49 THR C C 49 177.306 177.306 176.490 0.816 25454 273 1 1 . 1 1 49 49 THR CA C 49 64.520 64.520 66.159 -1.639 25454 274 1 1 . 1 1 49 49 THR CB C 49 69.525 69.525 68.691 0.834 25454 275 1 1 . 1 1 49 49 THR H H 49 7.743 7.743 7.850 -0.107 25454 276 1 1 . 1 1 50 50 GLN N N 50 121.570 121.570 120.646 0.924 25454 277 1 1 . 1 1 50 50 GLN HA H 50 4.344 4.344 4.240 0.104 25454 278 1 1 . 1 1 50 50 GLN C C 50 178.308 178.308 178.219 0.089 25454 279 1 1 . 1 1 50 50 GLN CA C 50 58.630 58.630 57.734 0.896 25454 280 1 1 . 1 1 50 50 GLN CB C 50 30.850 30.850 28.304 2.546 25454 281 1 1 . 1 1 50 50 GLN H H 50 8.519 8.519 8.045 0.474 25454 282 1 1 . 1 1 51 51 ILE N N 51 120.320 120.320 120.516 -0.196 25454 283 1 1 . 1 1 51 51 ILE HA H 51 3.573 3.573 3.932 -0.359 25454 284 1 1 . 1 1 51 51 ILE CA C 51 69.155 69.155 64.466 4.689 25454 285 1 1 . 1 1 51 51 ILE CB C 51 35.659 35.659 34.395 1.264 25454 286 1 1 . 1 1 51 51 ILE H H 51 8.663 8.663 8.520 0.143 25454 287 1 1 . 1 1 52 52 PRO HA H 52 4.301 4.301 4.397 -0.096 25454 288 1 1 . 1 1 52 52 PRO C C 52 179.686 179.686 178.809 0.877 25454 289 1 1 . 1 1 52 52 PRO CA C 52 66.190 66.190 65.508 0.682 25454 290 1 1 . 1 1 52 52 PRO CB C 52 31.270 31.270 31.241 0.029 25454 291 1 1 . 1 1 53 53 LYS N N 53 116.520 116.520 118.434 -1.914 25454 292 1 1 . 1 1 53 53 LYS HA H 53 4.231 4.231 4.190 0.041 25454 293 1 1 . 1 1 53 53 LYS C C 53 179.475 179.475 179.183 0.292 25454 294 1 1 . 1 1 53 53 LYS CA C 53 59.017 59.017 58.602 0.415 25454 295 1 1 . 1 1 53 53 LYS CB C 53 31.796 31.796 31.845 -0.049 25454 296 1 1 . 1 1 53 53 LYS H H 53 7.016 7.016 7.502 -0.486 25454 297 1 1 . 1 1 54 54 VAL N N 54 125.220 125.220 115.706 9.514 25454 298 1 1 . 1 1 54 54 VAL HA H 54 3.022 3.022 4.075 -1.053 25454 299 1 1 . 1 1 54 54 VAL C C 54 177.692 177.692 176.733 0.959 25454 300 1 1 . 1 1 54 54 VAL CA C 54 65.860 65.860 64.811 1.048 25454 301 1 1 . 1 1 54 54 VAL CB C 54 30.623 30.623 31.345 -0.722 25454 302 1 1 . 1 1 54 54 VAL H H 54 8.068 8.068 8.223 -0.155 25454 303 1 1 . 1 1 55 55 ILE N N 55 119.943 119.943 119.151 0.792 25454 304 1 1 . 1 1 55 55 ILE HA H 55 3.641 3.641 4.201 -0.560 25454 305 1 1 . 1 1 55 55 ILE C C 55 177.515 177.515 177.784 -0.269 25454 306 1 1 . 1 1 55 55 ILE CA C 55 66.896 66.896 64.302 2.594 25454 307 1 1 . 1 1 55 55 ILE CB C 55 38.500 38.500 38.654 -0.154 25454 308 1 1 . 1 1 55 55 ILE H H 55 7.589 7.589 7.345 0.244 25454 309 1 1 . 1 1 56 56 GLU N N 56 118.310 118.310 121.115 -2.805 25454 310 1 1 . 1 1 56 56 GLU HA H 56 4.010 4.010 4.002 0.008 25454 311 1 1 . 1 1 56 56 GLU C C 56 178.518 178.518 179.158 -0.640 25454 312 1 1 . 1 1 56 56 GLU CA C 56 59.603 59.603 59.976 -0.373 25454 313 1 1 . 1 1 56 56 GLU CB C 56 29.776 29.776 29.698 0.078 25454 314 1 1 . 1 1 56 56 GLU H H 56 7.794 7.794 8.514 -0.720 25454 315 1 1 . 1 1 57 57 TYR N N 57 120.510 120.510 119.187 1.323 25454 316 1 1 . 1 1 57 57 TYR HA H 57 4.239 4.239 4.258 -0.019 25454 317 1 1 . 1 1 57 57 TYR C C 57 178.919 178.919 177.918 1.001 25454 318 1 1 . 1 1 57 57 TYR CA C 57 61.600 61.600 60.844 0.756 25454 319 1 1 . 1 1 57 57 TYR CB C 57 39.060 39.060 38.034 1.026 25454 320 1 1 . 1 1 57 57 TYR H H 57 8.495 8.495 8.610 -0.115 25454 321 1 1 . 1 1 58 58 CYS N N 58 117.760 117.760 117.682 0.078 25454 322 1 1 . 1 1 58 58 CYS HA H 58 4.685 4.685 4.376 0.309 25454 323 1 1 . 1 1 58 58 CYS C C 58 177.217 177.217 176.318 0.899 25454 324 1 1 . 1 1 58 58 CYS CA C 58 52.020 52.020 61.356 -9.336 25454 325 1 1 . 1 1 58 58 CYS CB C 58 31.667 31.667 27.184 4.483 25454 326 1 1 . 1 1 58 58 CYS H H 58 8.672 8.672 7.916 0.756 25454 327 1 1 . 1 1 59 59 LYS N N 59 120.550 120.550 119.730 0.820 25454 328 1 1 . 1 1 59 59 LYS HA H 59 4.008 4.008 4.104 -0.096 25454 329 1 1 . 1 1 59 59 LYS C C 59 179.247 179.247 178.416 0.831 25454 330 1 1 . 1 1 59 59 LYS CA C 59 59.790 59.790 58.801 0.989 25454 331 1 1 . 1 1 59 59 LYS CB C 59 32.800 32.800 31.980 0.820 25454 332 1 1 . 1 1 59 59 LYS H H 59 8.481 8.481 8.233 0.248 25454 333 1 1 . 1 1 60 60 LYS N N 60 116.830 116.830 118.048 -1.218 25454 334 1 1 . 1 1 60 60 LYS HA H 60 4.166 4.166 4.212 -0.046 25454 335 1 1 . 1 1 60 60 LYS C C 60 176.432 176.432 176.891 -0.459 25454 336 1 1 . 1 1 60 60 LYS CA C 60 57.260 57.260 57.957 -0.697 25454 337 1 1 . 1 1 60 60 LYS CB C 60 33.760 33.760 32.967 0.793 25454 338 1 1 . 1 1 60 60 LYS H H 60 7.455 7.455 8.441 -0.986 25454 339 1 1 . 1 1 61 61 ASN N N 61 117.140 117.140 116.568 0.572 25454 340 1 1 . 1 1 61 61 ASN HA H 61 4.686 4.686 5.142 -0.456 25454 341 1 1 . 1 1 61 61 ASN CA C 61 51.300 51.300 51.129 0.171 25454 342 1 1 . 1 1 61 61 ASN CB C 61 40.208 40.208 38.373 1.835 25454 343 1 1 . 1 1 61 61 ASN H H 61 7.368 7.368 7.491 -0.123 25454 344 1 1 . 1 1 62 62 PRO HA H 62 4.227 4.227 4.450 -0.223 25454 345 1 1 . 1 1 62 62 PRO C C 62 177.511 177.511 177.835 -0.324 25454 346 1 1 . 1 1 62 62 PRO CA C 62 65.430 65.430 65.178 0.252 25454 347 1 1 . 1 1 62 62 PRO CB C 62 31.800 31.800 32.090 -0.290 25454 348 1 1 . 1 1 63 63 GLN N N 63 114.045 114.045 113.576 0.469 25454 349 1 1 . 1 1 63 63 GLN HA H 63 4.450 4.450 4.178 0.272 25454 350 1 1 . 1 1 63 63 GLN C C 63 177.766 177.766 176.556 1.210 25454 351 1 1 . 1 1 63 63 GLN CA C 63 56.200 56.200 56.678 -0.478 25454 352 1 1 . 1 1 63 63 GLN CB C 63 28.200 28.200 28.866 -0.666 25454 353 1 1 . 1 1 63 63 GLN H H 63 8.578 8.578 8.298 0.280 25454 354 1 1 . 1 1 64 64 LYS N N 64 119.960 119.960 120.607 -0.647 25454 355 1 1 . 1 1 64 64 LYS HA H 64 4.452 4.452 4.242 0.210 25454 356 1 1 . 1 1 64 64 LYS C C 64 176.151 176.151 175.672 0.479 25454 357 1 1 . 1 1 64 64 LYS CA C 64 55.660 55.660 55.735 -0.075 25454 358 1 1 . 1 1 64 64 LYS CB C 64 33.500 33.500 33.029 0.471 25454 359 1 1 . 1 1 64 64 LYS H H 64 7.628 7.628 7.692 -0.064 25454 360 1 1 . 1 1 65 65 ASN N N 65 120.139 120.139 117.759 2.380 25454 361 1 1 . 1 1 65 65 ASN HA H 65 4.807 4.807 4.489 0.318 25454 362 1 1 . 1 1 65 65 ASN CA C 65 54.070 54.070 53.696 0.374 25454 363 1 1 . 1 1 65 65 ASN CB C 65 38.070 38.070 39.218 -1.148 25454 364 1 1 . 1 1 65 65 ASN H H 65 8.936 8.936 8.332 0.604 25454 365 1 1 . 1 1 66 66 LEU N N 66 129.960 129.960 122.773 7.187 25454 366 1 1 . 1 1 66 66 LEU HA H 66 4.165 4.165 3.786 0.379 25454 367 1 1 . 1 1 66 66 LEU C C 66 176.948 176.948 178.008 -1.060 25454 368 1 1 . 1 1 66 66 LEU CA C 66 59.220 59.220 56.617 2.603 25454 369 1 1 . 1 1 66 66 LEU CB C 66 42.830 42.830 42.374 0.456 25454 370 1 1 . 1 1 66 66 LEU H H 66 8.939 8.939 8.142 0.797 25454 371 1 1 . 1 1 67 67 TYR N N 67 115.770 115.770 117.679 -1.909 25454 372 1 1 . 1 1 67 67 TYR HA H 67 4.077 4.077 4.276 -0.199 25454 373 1 1 . 1 1 67 67 TYR C C 67 178.731 178.731 177.757 0.974 25454 374 1 1 . 1 1 67 67 TYR CA C 67 61.277 61.277 60.844 0.432 25454 375 1 1 . 1 1 67 67 TYR CB C 67 36.768 36.768 37.953 -1.185 25454 376 1 1 . 1 1 67 67 TYR H H 67 9.409 9.409 8.122 1.287 25454 377 1 1 . 1 1 68 68 THR N N 68 112.470 112.470 116.223 -3.753 25454 378 1 1 . 1 1 68 68 THR HA H 68 4.268 4.268 4.125 0.143 25454 379 1 1 . 1 1 68 68 THR C C 68 176.104 176.104 175.887 0.217 25454 380 1 1 . 1 1 68 68 THR CA C 68 64.650 64.650 65.142 -0.492 25454 381 1 1 . 1 1 68 68 THR CB C 68 70.268 70.268 68.308 1.960 25454 382 1 1 . 1 1 68 68 THR H H 68 8.076 8.076 8.417 -0.341 25454 383 1 1 . 1 1 69 69 PHE N N 69 123.660 123.660 119.940 3.720 25454 384 1 1 . 1 1 69 69 PHE HA H 69 2.811 2.811 4.442 -1.631 25454 385 1 1 . 1 1 69 69 PHE C C 69 176.290 176.290 176.609 -0.319 25454 386 1 1 . 1 1 69 69 PHE CA C 69 61.510 61.510 57.853 3.657 25454 387 1 1 . 1 1 69 69 PHE CB C 69 39.610 39.610 37.672 1.938 25454 388 1 1 . 1 1 69 69 PHE H H 69 7.969 7.969 7.754 0.215 25454 389 1 1 . 1 1 70 70 LYS N N 70 113.530 113.530 120.277 -6.747 25454 390 1 1 . 1 1 70 70 LYS HA H 70 3.757 3.757 4.078 -0.321 25454 391 1 1 . 1 1 70 70 LYS C C 70 176.269 176.269 178.368 -2.099 25454 392 1 1 . 1 1 70 70 LYS CA C 70 57.840 57.840 58.340 -0.500 25454 393 1 1 . 1 1 70 70 LYS CB C 70 32.520 32.520 32.586 -0.066 25454 394 1 1 . 1 1 70 70 LYS H H 70 6.957 6.957 7.947 -0.990 25454 395 1 1 . 1 1 71 71 ASN N N 71 117.360 117.360 119.382 -2.022 25454 396 1 1 . 1 1 71 71 ASN HA H 71 4.652 4.652 4.511 0.141 25454 397 1 1 . 1 1 71 71 ASN C C 71 175.155 175.155 177.198 -2.043 25454 398 1 1 . 1 1 71 71 ASN CA C 71 53.273 53.273 55.577 -2.304 25454 399 1 1 . 1 1 71 71 ASN CB C 71 38.870 38.870 38.167 0.703 25454 400 1 1 . 1 1 71 71 ASN H H 71 7.488 7.488 8.435 -0.947 25454 401 1 1 . 1 1 72 72 GLN N N 72 119.610 119.610 117.221 2.389 25454 402 1 1 . 1 1 72 72 GLN HA H 72 4.202 4.202 4.204 -0.002 25454 403 1 1 . 1 1 72 72 GLN C C 72 179.467 179.467 176.154 3.313 25454 404 1 1 . 1 1 72 72 GLN CA C 72 56.160 56.160 56.178 -0.018 25454 405 1 1 . 1 1 72 72 GLN CB C 72 29.460 29.460 28.753 0.707 25454 406 1 1 . 1 1 72 72 GLN H H 72 7.611 7.611 8.509 -0.898 25454 407 1 1 . 1 1 73 73 ALA N N 73 125.130 125.130 122.800 2.330 25454 408 1 1 . 1 1 73 73 ALA HA H 73 4.198 4.198 4.582 -0.384 25454 409 1 1 . 1 1 73 73 ALA C C 73 177.907 177.907 177.068 0.839 25454 410 1 1 . 1 1 73 73 ALA CA C 73 52.761 52.761 51.227 1.534 25454 411 1 1 . 1 1 73 73 ALA CB C 73 19.028 19.028 19.824 -0.796 25454 412 1 1 . 1 1 73 73 ALA H H 73 8.072 8.072 7.583 0.489 25454 413 1 1 . 1 1 74 74 SER N N 74 115.100 115.100 120.484 -5.384 25454 414 1 1 . 1 1 74 74 SER HA H 74 4.344 4.344 4.229 0.115 25454 415 1 1 . 1 1 74 74 SER C C 74 174.562 174.562 174.989 -0.427 25454 416 1 1 . 1 1 74 74 SER CA C 74 58.640 58.640 59.047 -0.407 25454 417 1 1 . 1 1 74 74 SER CB C 74 63.660 63.660 63.511 0.149 25454 418 1 1 . 1 1 74 74 SER H H 74 8.114 8.114 8.982 -0.868 25454 419 1 1 . 1 1 75 75 ASN N N 75 120.950 120.950 119.281 1.669 25454 420 1 1 . 1 1 75 75 ASN HA H 75 4.698 4.698 4.469 0.229 25454 421 1 1 . 1 1 75 75 ASN C C 75 174.790 174.790 174.978 -0.188 25454 422 1 1 . 1 1 75 75 ASN CA C 75 53.340 53.340 55.624 -2.284 25454 423 1 1 . 1 1 75 75 ASN CB C 75 38.980 38.980 37.188 1.792 25454 424 1 1 . 1 1 75 75 ASN H H 75 8.283 8.283 8.275 0.008 25454 425 1 1 . 1 1 76 76 ASP N N 76 120.550 120.550 120.226 0.324 25454 426 1 1 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.614 -0.011 25454 427 1 1 . 1 1 76 76 ASP C C 76 175.588 175.588 175.785 -0.197 25454 428 1 1 . 1 1 76 76 ASP CA C 76 53.940 53.940 54.229 -0.289 25454 429 1 1 . 1 1 76 76 ASP CB C 76 40.510 40.510 43.188 -2.678 25454 430 1 1 . 1 1 76 76 ASP H H 76 8.201 8.201 8.049 0.152 25454 431 1 1 . 1 1 77 77 LEU N N 77 123.780 123.780 121.923 1.857 25454 432 1 1 . 1 1 77 77 LEU HA H 77 4.600 4.600 4.335 0.265 25454 433 1 1 . 1 1 77 77 LEU CA C 77 52.980 52.980 53.359 -0.379 25454 434 1 1 . 1 1 77 77 LEU CB C 77 41.850 41.850 39.845 2.005 25454 435 1 1 . 1 1 77 77 LEU H H 77 8.021 8.021 7.667 0.354 25454 436 1 1 . 1 1 78 78 PRO HA H 78 4.417 4.417 4.579 -0.162 25454 437 1 1 . 1 1 78 78 PRO C C 78 176.058 176.058 176.081 -0.023 25454 438 1 1 . 1 1 78 78 PRO CA C 78 63.260 63.260 62.326 0.934 25454 439 1 1 . 1 1 78 78 PRO CB C 78 31.956 31.956 32.726 -0.770 25454 440 1 2 . 1 1 2 2 ASN N N 2 118.440 118.440 117.673 0.767 25454 441 1 2 . 1 1 2 2 ASN HA H 2 4.660 4.660 4.581 0.079 25454 442 1 2 . 1 1 2 2 ASN C C 2 174.884 174.884 174.908 -0.024 25454 443 1 2 . 1 1 2 2 ASN CA C 2 53.730 53.730 54.135 -0.404 25454 444 1 2 . 1 1 2 2 ASN CB C 2 38.500 38.500 38.152 0.348 25454 445 1 2 . 1 1 2 2 ASN H H 2 8.869 8.869 8.898 -0.029 25454 446 1 2 . 1 1 3 3 GLU N N 3 121.390 121.390 120.724 0.666 25454 447 1 2 . 1 1 3 3 GLU HA H 3 4.416 4.416 4.333 0.083 25454 448 1 2 . 1 1 3 3 GLU C C 3 175.916 175.916 176.469 -0.553 25454 449 1 2 . 1 1 3 3 GLU CA C 3 56.300 56.300 56.334 -0.034 25454 450 1 2 . 1 1 3 3 GLU CB C 3 29.810 29.810 30.396 -0.587 25454 451 1 2 . 1 1 3 3 GLU H H 3 8.560 8.560 8.332 0.228 25454 452 1 2 . 1 1 4 4 SER N N 4 118.190 118.190 116.237 1.953 25454 453 1 2 . 1 1 4 4 SER HA H 4 4.716 4.716 4.601 0.115 25454 454 1 2 . 1 1 4 4 SER C C 4 175.686 175.686 174.928 0.758 25454 455 1 2 . 1 1 4 4 SER CA C 4 57.890 57.890 56.400 1.490 25454 456 1 2 . 1 1 4 4 SER CB C 4 65.080 65.080 62.792 2.288 25454 457 1 2 . 1 1 4 4 SER H H 4 8.802 8.802 8.494 0.308 25454 458 1 2 . 1 1 5 5 ALA N N 5 128.990 128.990 129.077 -0.087 25454 459 1 2 . 1 1 5 5 ALA HA H 5 4.142 4.142 4.053 0.089 25454 460 1 2 . 1 1 5 5 ALA C C 5 179.112 179.112 178.532 0.580 25454 461 1 2 . 1 1 5 5 ALA CA C 5 55.880 55.880 54.788 1.092 25454 462 1 2 . 1 1 5 5 ALA CB C 5 18.110 18.110 18.901 -0.791 25454 463 1 2 . 1 1 5 5 ALA H H 5 8.992 8.992 8.797 0.195 25454 464 1 2 . 1 1 6 6 LYS N N 6 114.810 114.810 114.050 0.760 25454 465 1 2 . 1 1 6 6 LYS HA H 6 3.221 3.221 2.811 0.410 25454 466 1 2 . 1 1 6 6 LYS C C 6 177.448 177.448 175.674 1.774 25454 467 1 2 . 1 1 6 6 LYS CA C 6 57.740 57.740 56.821 0.919 25454 468 1 2 . 1 1 6 6 LYS CB C 6 31.830 31.830 31.169 0.661 25454 469 1 2 . 1 1 6 6 LYS H H 6 7.776 7.776 8.046 -0.270 25454 470 1 2 . 1 1 7 7 ASP N N 7 119.190 119.190 118.654 0.536 25454 471 1 2 . 1 1 7 7 ASP HA H 7 4.748 4.748 4.871 -0.123 25454 472 1 2 . 1 1 7 7 ASP C C 7 176.254 176.254 174.863 1.391 25454 473 1 2 . 1 1 7 7 ASP CA C 7 53.800 53.800 52.554 1.246 25454 474 1 2 . 1 1 7 7 ASP CB C 7 41.560 41.560 41.859 -0.299 25454 475 1 2 . 1 1 7 7 ASP H H 7 7.744 7.744 7.568 0.176 25454 476 1 2 . 1 1 8 8 MET N N 8 122.540 122.540 121.756 0.784 25454 477 1 2 . 1 1 8 8 MET HA H 8 4.502 4.502 4.460 0.042 25454 478 1 2 . 1 1 8 8 MET C C 8 176.932 176.932 175.750 1.182 25454 479 1 2 . 1 1 8 8 MET CA C 8 56.390 56.390 56.400 -0.010 25454 480 1 2 . 1 1 8 8 MET CB C 8 35.300 35.300 32.993 2.307 25454 481 1 2 . 1 1 8 8 MET H H 8 7.925 7.925 7.368 0.557 25454 482 1 2 . 1 1 9 9 THR N N 9 121.410 121.410 122.376 -0.966 25454 483 1 2 . 1 1 9 9 THR HA H 9 4.794 4.794 4.466 0.328 25454 484 1 2 . 1 1 9 9 THR C C 9 176.198 176.198 175.242 0.956 25454 485 1 2 . 1 1 9 9 THR CA C 9 61.960 61.960 62.917 -0.957 25454 486 1 2 . 1 1 9 9 THR CB C 9 72.200 72.200 70.334 1.866 25454 487 1 2 . 1 1 9 9 THR H H 9 9.927 9.927 8.234 1.693 25454 488 1 2 . 1 1 10 10 CYS N N 10 121.150 121.150 126.512 -5.362 25454 489 1 2 . 1 1 10 10 CYS HA H 10 4.685 4.685 4.429 0.256 25454 490 1 2 . 1 1 10 10 CYS C C 10 177.324 177.324 177.005 0.319 25454 491 1 2 . 1 1 10 10 CYS CA C 10 56.970 56.970 61.985 -5.015 25454 492 1 2 . 1 1 10 10 CYS CB C 10 32.440 32.440 25.919 6.521 25454 493 1 2 . 1 1 10 10 CYS H H 10 9.765 9.765 8.932 0.833 25454 494 1 2 . 1 1 11 11 GLN N N 11 121.360 121.360 120.104 1.256 25454 495 1 2 . 1 1 11 11 GLN HA H 11 3.894 3.894 4.055 -0.161 25454 496 1 2 . 1 1 11 11 GLN C C 11 176.902 176.902 177.754 -0.852 25454 497 1 2 . 1 1 11 11 GLN CA C 11 58.680 58.680 58.790 -0.110 25454 498 1 2 . 1 1 11 11 GLN CB C 11 28.900 28.900 28.227 0.673 25454 499 1 2 . 1 1 11 11 GLN H H 11 8.583 8.583 7.989 0.594 25454 500 1 2 . 1 1 12 12 GLU N N 12 117.090 117.090 118.759 -1.669 25454 501 1 2 . 1 1 12 12 GLU HA H 12 3.983 3.983 4.104 -0.121 25454 502 1 2 . 1 1 12 12 GLU C C 12 179.763 179.763 178.652 1.111 25454 503 1 2 . 1 1 12 12 GLU CA C 12 59.528 59.528 58.645 0.883 25454 504 1 2 . 1 1 12 12 GLU CB C 12 31.830 31.830 29.527 2.303 25454 505 1 2 . 1 1 12 12 GLU H H 12 7.867 7.867 8.028 -0.161 25454 506 1 2 . 1 1 13 13 PHE N N 13 119.630 119.630 120.400 -0.770 25454 507 1 2 . 1 1 13 13 PHE HA H 13 4.269 4.269 4.248 0.021 25454 508 1 2 . 1 1 13 13 PHE C C 13 176.432 176.432 178.240 -1.808 25454 509 1 2 . 1 1 13 13 PHE CA C 13 61.150 61.150 61.238 -0.088 25454 510 1 2 . 1 1 13 13 PHE CB C 13 39.520 39.520 39.560 -0.040 25454 511 1 2 . 1 1 13 13 PHE H H 13 8.182 8.182 8.397 -0.215 25454 512 1 2 . 1 1 14 14 ILE N N 14 114.180 114.180 112.953 1.227 25454 513 1 2 . 1 1 14 14 ILE HA H 14 3.761 3.761 3.808 -0.047 25454 514 1 2 . 1 1 14 14 ILE C C 14 177.089 177.089 175.638 1.451 25454 515 1 2 . 1 1 14 14 ILE CA C 14 63.030 63.030 62.643 0.387 25454 516 1 2 . 1 1 14 14 ILE CB C 14 36.740 36.740 37.434 -0.694 25454 517 1 2 . 1 1 14 14 ILE H H 14 8.191 8.191 7.799 0.392 25454 518 1 2 . 1 1 15 15 ASP N N 15 120.260 120.260 119.817 0.443 25454 519 1 2 . 1 1 15 15 ASP HA H 15 4.716 4.716 4.638 0.078 25454 520 1 2 . 1 1 15 15 ASP C C 15 174.697 174.697 176.743 -2.046 25454 521 1 2 . 1 1 15 15 ASP CA C 15 54.080 54.080 53.879 0.201 25454 522 1 2 . 1 1 15 15 ASP CB C 15 40.810 40.810 42.760 -1.950 25454 523 1 2 . 1 1 15 15 ASP H H 15 7.478 7.478 7.610 -0.132 25454 524 1 2 . 1 1 16 16 LEU N N 16 122.985 122.985 119.614 3.371 25454 525 1 2 . 1 1 16 16 LEU HA H 16 4.067 4.067 4.224 -0.157 25454 526 1 2 . 1 1 16 16 LEU C C 16 176.710 176.710 175.930 0.780 25454 527 1 2 . 1 1 16 16 LEU CA C 16 55.028 55.028 55.251 -0.223 25454 528 1 2 . 1 1 16 16 LEU CB C 16 43.370 43.370 42.623 0.747 25454 529 1 2 . 1 1 16 16 LEU H H 16 7.226 7.226 7.292 -0.066 25454 530 1 2 . 1 1 17 17 ASN N N 17 119.620 119.620 118.954 0.666 25454 531 1 2 . 1 1 17 17 ASN HA H 17 4.634 4.634 4.812 -0.178 25454 532 1 2 . 1 1 17 17 ASN CA C 17 52.048 52.048 50.926 1.121 25454 533 1 2 . 1 1 17 17 ASN CB C 17 39.480 39.480 38.503 0.977 25454 534 1 2 . 1 1 17 17 ASN H H 17 7.265 7.265 8.378 -1.113 25454 535 1 2 . 1 1 18 18 PRO HA H 18 4.137 4.137 4.131 0.006 25454 536 1 2 . 1 1 18 18 PRO C C 18 179.247 179.247 178.170 1.077 25454 537 1 2 . 1 1 18 18 PRO CA C 18 65.370 65.370 64.737 0.633 25454 538 1 2 . 1 1 18 18 PRO CB C 18 32.610 32.610 31.911 0.699 25454 539 1 2 . 1 1 19 19 LYS N N 19 116.450 116.450 118.385 -1.935 25454 540 1 2 . 1 1 19 19 LYS HA H 19 3.856 3.856 4.024 -0.168 25454 541 1 2 . 1 1 19 19 LYS C C 19 176.995 176.995 178.914 -1.919 25454 542 1 2 . 1 1 19 19 LYS CA C 19 59.080 59.080 59.607 -0.527 25454 543 1 2 . 1 1 19 19 LYS CB C 19 34.940 34.940 32.034 2.906 25454 544 1 2 . 1 1 19 19 LYS H H 19 8.445 8.445 8.839 -0.394 25454 545 1 2 . 1 1 20 20 ALA N N 20 116.170 116.170 120.641 -4.471 25454 546 1 2 . 1 1 20 20 ALA HA H 20 4.255 4.255 4.497 -0.242 25454 547 1 2 . 1 1 20 20 ALA C C 20 177.511 177.511 179.254 -1.743 25454 548 1 2 . 1 1 20 20 ALA CA C 20 51.640 51.640 53.632 -1.992 25454 549 1 2 . 1 1 20 20 ALA CB C 20 21.660 21.660 18.242 3.418 25454 550 1 2 . 1 1 20 20 ALA H H 20 8.400 8.400 7.704 0.696 25454 551 1 2 . 1 1 21 21 MET N N 21 117.850 117.850 118.560 -0.710 25454 552 1 2 . 1 1 21 21 MET HA H 21 3.645 3.645 4.099 -0.454 25454 553 1 2 . 1 1 21 21 MET C C 21 177.511 177.511 177.890 -0.379 25454 554 1 2 . 1 1 21 21 MET CA C 21 61.418 61.418 59.882 1.536 25454 555 1 2 . 1 1 21 21 MET CB C 21 33.220 33.220 32.480 0.741 25454 556 1 2 . 1 1 21 21 MET H H 21 7.206 7.206 8.151 -0.945 25454 557 1 2 . 1 1 22 22 THR N N 22 114.690 114.690 115.126 -0.436 25454 558 1 2 . 1 1 22 22 THR HA H 22 4.115 4.115 4.312 -0.197 25454 559 1 2 . 1 1 22 22 THR CA C 22 69.550 69.550 68.205 1.345 25454 560 1 2 . 1 1 22 22 THR CB C 22 65.700 65.700 66.487 -0.787 25454 561 1 2 . 1 1 22 22 THR H H 22 8.695 8.695 7.979 0.716 25454 562 1 2 . 1 1 23 23 PRO HA H 23 3.550 3.550 4.541 -0.991 25454 563 1 2 . 1 1 23 23 PRO C C 23 178.637 178.637 179.283 -0.646 25454 564 1 2 . 1 1 23 23 PRO CA C 23 65.770 65.770 65.708 0.062 25454 565 1 2 . 1 1 23 23 PRO CB C 23 31.182 31.182 31.515 -0.333 25454 566 1 2 . 1 1 24 24 VAL N N 24 115.820 115.820 118.360 -2.540 25454 567 1 2 . 1 1 24 24 VAL HA H 24 3.675 3.675 4.113 -0.438 25454 568 1 2 . 1 1 24 24 VAL C C 24 177.464 177.464 177.500 -0.036 25454 569 1 2 . 1 1 24 24 VAL CA C 24 67.490 67.490 65.197 2.293 25454 570 1 2 . 1 1 24 24 VAL CB C 24 31.970 31.970 31.733 0.237 25454 571 1 2 . 1 1 24 24 VAL H H 24 7.441 7.441 7.748 -0.307 25454 572 1 2 . 1 1 25 25 ALA N N 25 122.670 122.670 122.100 0.570 25454 573 1 2 . 1 1 25 25 ALA HA H 25 3.783 3.783 4.167 -0.384 25454 574 1 2 . 1 1 25 25 ALA C C 25 178.497 178.497 178.724 -0.227 25454 575 1 2 . 1 1 25 25 ALA CA C 25 55.620 55.620 55.020 0.600 25454 576 1 2 . 1 1 25 25 ALA CB C 25 18.852 18.852 18.344 0.508 25454 577 1 2 . 1 1 25 25 ALA H H 25 8.805 8.805 8.173 0.632 25454 578 1 2 . 1 1 26 26 TRP N N 26 118.270 118.270 120.996 -2.726 25454 579 1 2 . 1 1 26 26 TRP HA H 26 3.709 3.709 4.552 -0.843 25454 580 1 2 . 1 1 26 26 TRP C C 26 178.309 178.309 177.374 0.935 25454 581 1 2 . 1 1 26 26 TRP CA C 26 63.940 63.940 60.755 3.185 25454 582 1 2 . 1 1 26 26 TRP CB C 26 29.740 29.740 29.852 -0.113 25454 583 1 2 . 1 1 26 26 TRP H H 26 9.181 9.181 8.306 0.875 25454 584 1 2 . 1 1 27 27 TRP N N 27 119.740 119.740 118.484 1.256 25454 585 1 2 . 1 1 27 27 TRP HA H 27 4.118 4.118 3.648 0.470 25454 586 1 2 . 1 1 27 27 TRP C C 27 177.511 177.511 178.651 -1.140 25454 587 1 2 . 1 1 27 27 TRP CA C 27 60.588 60.588 60.286 0.302 25454 588 1 2 . 1 1 27 27 TRP CB C 27 30.021 30.021 28.716 1.305 25454 589 1 2 . 1 1 27 27 TRP H H 27 8.527 8.527 7.448 1.079 25454 590 1 2 . 1 1 28 28 MET N N 28 119.130 119.130 117.956 1.174 25454 591 1 2 . 1 1 28 28 MET HA H 28 3.618 3.618 3.383 0.235 25454 592 1 2 . 1 1 28 28 MET C C 28 177.587 177.587 178.453 -0.866 25454 593 1 2 . 1 1 28 28 MET CA C 28 58.540 58.540 57.895 0.645 25454 594 1 2 . 1 1 28 28 MET CB C 28 29.392 29.392 31.445 -2.054 25454 595 1 2 . 1 1 28 28 MET H H 28 7.756 7.756 7.515 0.241 25454 596 1 2 . 1 1 29 29 LEU N N 29 117.820 117.820 115.929 1.891 25454 597 1 2 . 1 1 29 29 LEU HA H 29 3.559 3.559 3.919 -0.360 25454 598 1 2 . 1 1 29 29 LEU C C 29 179.417 179.417 176.906 2.511 25454 599 1 2 . 1 1 29 29 LEU CA C 29 57.043 57.043 56.667 0.376 25454 600 1 2 . 1 1 29 29 LEU CB C 29 42.676 42.676 40.893 1.783 25454 601 1 2 . 1 1 29 29 LEU H H 29 7.838 7.838 7.507 0.331 25454 602 1 2 . 1 1 30 30 HIS N N 30 113.790 113.790 112.548 1.242 25454 603 1 2 . 1 1 30 30 HIS HA H 30 4.059 4.059 4.504 -0.445 25454 604 1 2 . 1 1 30 30 HIS C C 30 176.289 176.289 175.449 0.840 25454 605 1 2 . 1 1 30 30 HIS CA C 30 56.030 56.030 55.728 0.302 25454 606 1 2 . 1 1 30 30 HIS CB C 30 29.216 29.216 30.913 -1.697 25454 607 1 2 . 1 1 30 30 HIS H H 30 7.757 7.757 7.077 0.680 25454 608 1 2 . 1 1 31 31 GLU N N 31 125.870 125.870 118.557 7.313 25454 609 1 2 . 1 1 31 31 GLU HA H 31 4.450 4.450 3.972 0.478 25454 610 1 2 . 1 1 31 31 GLU C C 31 176.775 176.775 175.803 0.972 25454 611 1 2 . 1 1 31 31 GLU CA C 31 56.160 56.160 56.592 -0.432 25454 612 1 2 . 1 1 31 31 GLU CB C 31 28.386 28.386 29.710 -1.324 25454 613 1 2 . 1 1 31 31 GLU H H 31 8.916 8.916 7.440 1.476 25454 614 1 2 . 1 1 32 32 GLU N N 32 116.185 116.185 123.300 -7.115 25454 615 1 2 . 1 1 32 32 GLU HA H 32 3.563 3.563 4.395 -0.832 25454 616 1 2 . 1 1 32 32 GLU C C 32 174.994 174.994 175.737 -0.743 25454 617 1 2 . 1 1 32 32 GLU CA C 32 58.090 58.090 57.703 0.387 25454 618 1 2 . 1 1 32 32 GLU CB C 32 26.783 26.783 28.995 -2.212 25454 619 1 2 . 1 1 32 32 GLU H H 32 9.330 9.330 8.744 0.586 25454 620 1 2 . 1 1 33 33 THR N N 33 110.202 110.202 117.000 -6.798 25454 621 1 2 . 1 1 33 33 THR HA H 33 4.696 4.696 4.562 0.134 25454 622 1 2 . 1 1 33 33 THR C C 33 173.529 173.529 173.013 0.516 25454 623 1 2 . 1 1 33 33 THR CA C 33 60.129 60.129 61.474 -1.345 25454 624 1 2 . 1 1 33 33 THR CB C 33 71.864 71.864 70.492 1.372 25454 625 1 2 . 1 1 33 33 THR H H 33 7.620 7.620 8.120 -0.500 25454 626 1 2 . 1 1 34 34 VAL N N 34 121.967 121.967 122.592 -0.625 25454 627 1 2 . 1 1 34 34 VAL HA H 34 4.139 4.139 4.482 -0.343 25454 628 1 2 . 1 1 34 34 VAL C C 34 172.579 172.579 174.220 -1.641 25454 629 1 2 . 1 1 34 34 VAL CA C 34 63.032 63.032 61.272 1.760 25454 630 1 2 . 1 1 34 34 VAL CB C 34 32.594 32.594 34.617 -2.022 25454 631 1 2 . 1 1 34 34 VAL H H 34 8.308 8.308 8.170 0.138 25454 632 1 2 . 1 1 35 35 TYR N N 35 129.550 129.550 123.611 5.939 25454 633 1 2 . 1 1 35 35 TYR HA H 35 4.562 4.562 4.519 0.043 25454 634 1 2 . 1 1 35 35 TYR CA C 35 58.660 58.660 58.742 -0.083 25454 635 1 2 . 1 1 35 35 TYR CB C 35 39.520 39.520 39.213 0.307 25454 636 1 2 . 1 1 35 35 TYR H H 35 8.610 8.610 8.678 -0.068 25454 637 1 2 . 1 1 36 36 LYS N N 36 129.360 129.360 125.466 3.894 25454 638 1 2 . 1 1 36 36 LYS HA H 36 4.411 4.411 4.411 0.000 25454 639 1 2 . 1 1 36 36 LYS CA C 36 55.626 55.626 56.254 -0.628 25454 640 1 2 . 1 1 36 36 LYS CB C 36 32.790 32.790 32.575 0.214 25454 641 1 2 . 1 1 36 36 LYS H H 36 8.509 8.509 8.467 0.042 25454 642 1 2 . 1 1 37 37 GLY N N 37 109.150 109.150 107.528 1.622 25454 643 1 2 . 1 1 37 37 GLY C C 37 174.428 174.428 175.061 -0.633 25454 644 1 2 . 1 1 37 37 GLY CA C 37 46.427 46.427 45.276 1.151 25454 645 1 2 . 1 1 37 37 GLY H H 37 6.819 6.819 8.748 -1.929 25454 646 1 2 . 1 1 38 38 GLY N N 38 110.780 110.780 108.360 2.420 25454 647 1 2 . 1 1 38 38 GLY C C 38 174.108 174.108 174.105 0.003 25454 648 1 2 . 1 1 38 38 GLY CA C 38 44.972 44.972 44.898 0.075 25454 649 1 2 . 1 1 38 38 GLY H H 38 8.365 8.365 8.016 0.349 25454 650 1 2 . 1 1 39 39 ASP N N 39 120.800 120.800 117.920 2.880 25454 651 1 2 . 1 1 39 39 ASP HA H 39 4.789 4.789 4.613 0.176 25454 652 1 2 . 1 1 39 39 ASP C C 39 177.820 177.820 177.194 0.626 25454 653 1 2 . 1 1 39 39 ASP CA C 39 55.340 55.340 54.330 1.010 25454 654 1 2 . 1 1 39 39 ASP CB C 39 41.150 41.150 40.901 0.249 25454 655 1 2 . 1 1 39 39 ASP H H 39 8.476 8.476 8.467 0.009 25454 656 1 2 . 1 1 40 40 THR N N 40 111.201 111.201 111.737 -0.536 25454 657 1 2 . 1 1 40 40 THR HA H 40 3.753 3.753 4.356 -0.603 25454 658 1 2 . 1 1 40 40 THR C C 40 175.526 175.526 175.658 -0.132 25454 659 1 2 . 1 1 40 40 THR CA C 40 60.300 60.300 61.718 -1.418 25454 660 1 2 . 1 1 40 40 THR CB C 40 71.278 71.278 68.408 2.870 25454 661 1 2 . 1 1 40 40 THR H H 40 8.132 8.132 8.331 -0.199 25454 662 1 2 . 1 1 41 41 VAL N N 41 125.014 125.014 115.577 9.437 25454 663 1 2 . 1 1 41 41 VAL HA H 41 3.831 3.831 3.557 0.274 25454 664 1 2 . 1 1 41 41 VAL C C 41 174.100 174.100 176.539 -2.439 25454 665 1 2 . 1 1 41 41 VAL CA C 41 63.988 63.988 62.965 1.023 25454 666 1 2 . 1 1 41 41 VAL CB C 41 30.465 30.465 30.392 0.073 25454 667 1 2 . 1 1 41 41 VAL H H 41 8.278 8.278 6.970 1.308 25454 668 1 2 . 1 1 42 42 THR N N 42 121.970 121.970 116.462 5.508 25454 669 1 2 . 1 1 42 42 THR HA H 42 4.603 4.603 4.057 0.546 25454 670 1 2 . 1 1 42 42 THR C C 42 172.978 172.978 174.845 -1.867 25454 671 1 2 . 1 1 42 42 THR CA C 42 60.166 60.166 63.054 -2.888 25454 672 1 2 . 1 1 42 42 THR CB C 42 70.588 70.588 69.351 1.237 25454 673 1 2 . 1 1 42 42 THR H H 42 7.849 7.849 7.454 0.395 25454 674 1 2 . 1 1 43 43 LEU N N 43 122.979 122.979 124.310 -1.331 25454 675 1 2 . 1 1 43 43 LEU HA H 43 5.041 5.041 4.343 0.698 25454 676 1 2 . 1 1 43 43 LEU CA C 43 55.072 55.072 54.477 0.595 25454 677 1 2 . 1 1 43 43 LEU CB C 43 42.661 42.661 39.752 2.909 25454 678 1 2 . 1 1 43 43 LEU H H 43 8.310 8.310 8.430 -0.120 25454 679 1 2 . 1 1 44 44 ASN N N 44 124.579 124.579 120.834 3.745 25454 680 1 2 . 1 1 44 44 ASN HA H 44 5.135 5.135 4.682 0.453 25454 681 1 2 . 1 1 44 44 ASN C C 44 175.736 175.736 176.323 -0.587 25454 682 1 2 . 1 1 44 44 ASN CA C 44 50.814 50.814 52.689 -1.875 25454 683 1 2 . 1 1 44 44 ASN CB C 44 40.280 40.280 39.448 0.832 25454 684 1 2 . 1 1 44 44 ASN H H 44 9.542 9.542 8.130 1.412 25454 685 1 2 . 1 1 45 45 GLU N N 45 118.210 118.210 119.520 -1.310 25454 686 1 2 . 1 1 45 45 GLU HA H 45 4.088 4.088 4.079 0.009 25454 687 1 2 . 1 1 45 45 GLU C C 45 179.010 179.010 178.072 0.938 25454 688 1 2 . 1 1 45 45 GLU CA C 45 60.349 60.349 59.923 0.426 25454 689 1 2 . 1 1 45 45 GLU CB C 45 28.908 28.908 29.220 -0.312 25454 690 1 2 . 1 1 45 45 GLU H H 45 8.752 8.752 8.908 -0.156 25454 691 1 2 . 1 1 46 46 THR N N 46 116.430 116.430 116.394 0.036 25454 692 1 2 . 1 1 46 46 THR HA H 46 4.114 4.114 4.060 0.054 25454 693 1 2 . 1 1 46 46 THR C C 46 176.994 176.994 176.163 0.831 25454 694 1 2 . 1 1 46 46 THR CA C 46 66.260 66.260 67.077 -0.817 25454 695 1 2 . 1 1 46 46 THR CB C 46 68.270 68.270 68.321 -0.051 25454 696 1 2 . 1 1 46 46 THR H H 46 8.043 8.043 7.776 0.267 25454 697 1 2 . 1 1 47 47 ASP N N 47 124.380 124.380 122.844 1.536 25454 698 1 2 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.433 -0.089 25454 699 1 2 . 1 1 47 47 ASP C C 47 178.914 178.914 178.643 0.271 25454 700 1 2 . 1 1 47 47 ASP CA C 47 58.630 58.630 58.085 0.545 25454 701 1 2 . 1 1 47 47 ASP CB C 47 42.350 42.350 40.807 1.543 25454 702 1 2 . 1 1 47 47 ASP H H 47 8.475 8.475 8.401 0.074 25454 703 1 2 . 1 1 48 48 LEU N N 48 116.889 116.889 119.137 -2.248 25454 704 1 2 . 1 1 48 48 LEU HA H 48 4.118 4.118 4.139 -0.021 25454 705 1 2 . 1 1 48 48 LEU C C 48 175.839 175.839 179.142 -3.303 25454 706 1 2 . 1 1 48 48 LEU CA C 48 57.432 57.432 57.824 -0.392 25454 707 1 2 . 1 1 48 48 LEU CB C 48 41.430 41.430 41.933 -0.503 25454 708 1 2 . 1 1 48 48 LEU H H 48 8.082 8.082 8.363 -0.281 25454 709 1 2 . 1 1 49 49 THR N N 49 112.550 112.550 115.188 -2.638 25454 710 1 2 . 1 1 49 49 THR HA H 49 4.310 4.310 4.111 0.199 25454 711 1 2 . 1 1 49 49 THR C C 49 177.306 177.306 176.455 0.851 25454 712 1 2 . 1 1 49 49 THR CA C 49 64.520 64.520 66.145 -1.625 25454 713 1 2 . 1 1 49 49 THR CB C 49 69.525 69.525 68.947 0.578 25454 714 1 2 . 1 1 49 49 THR H H 49 7.743 7.743 7.906 -0.163 25454 715 1 2 . 1 1 50 50 GLN N N 50 121.570 121.570 120.526 1.044 25454 716 1 2 . 1 1 50 50 GLN HA H 50 4.344 4.344 4.247 0.097 25454 717 1 2 . 1 1 50 50 GLN C C 50 178.308 178.308 178.308 0.000 25454 718 1 2 . 1 1 50 50 GLN CA C 50 58.630 58.630 57.688 0.942 25454 719 1 2 . 1 1 50 50 GLN CB C 50 30.850 30.850 28.520 2.330 25454 720 1 2 . 1 1 50 50 GLN H H 50 8.519 8.519 8.006 0.513 25454 721 1 2 . 1 1 51 51 ILE N N 51 120.320 120.320 121.532 -1.212 25454 722 1 2 . 1 1 51 51 ILE HA H 51 3.573 3.573 3.915 -0.342 25454 723 1 2 . 1 1 51 51 ILE CA C 51 69.155 69.155 66.713 2.442 25454 724 1 2 . 1 1 51 51 ILE CB C 51 35.659 35.659 35.398 0.261 25454 725 1 2 . 1 1 51 51 ILE H H 51 8.663 8.663 8.861 -0.198 25454 726 1 2 . 1 1 52 52 PRO HA H 52 4.301 4.301 4.341 -0.040 25454 727 1 2 . 1 1 52 52 PRO C C 52 179.686 179.686 178.818 0.868 25454 728 1 2 . 1 1 52 52 PRO CA C 52 66.190 66.190 65.832 0.358 25454 729 1 2 . 1 1 52 52 PRO CB C 52 31.270 31.270 31.007 0.263 25454 730 1 2 . 1 1 53 53 LYS N N 53 116.520 116.520 118.249 -1.729 25454 731 1 2 . 1 1 53 53 LYS HA H 53 4.231 4.231 4.118 0.113 25454 732 1 2 . 1 1 53 53 LYS C C 53 179.475 179.475 179.109 0.366 25454 733 1 2 . 1 1 53 53 LYS CA C 53 59.017 59.017 58.859 0.158 25454 734 1 2 . 1 1 53 53 LYS CB C 53 31.796 31.796 31.357 0.439 25454 735 1 2 . 1 1 53 53 LYS H H 53 7.016 7.016 7.449 -0.433 25454 736 1 2 . 1 1 54 54 VAL N N 54 125.220 125.220 117.068 8.152 25454 737 1 2 . 1 1 54 54 VAL HA H 54 3.022 3.022 3.750 -0.728 25454 738 1 2 . 1 1 54 54 VAL C C 54 177.692 177.692 177.578 0.114 25454 739 1 2 . 1 1 54 54 VAL CA C 54 65.860 65.860 65.915 -0.055 25454 740 1 2 . 1 1 54 54 VAL CB C 54 30.623 30.623 31.646 -1.024 25454 741 1 2 . 1 1 54 54 VAL H H 54 8.068 8.068 8.040 0.028 25454 742 1 2 . 1 1 55 55 ILE N N 55 119.943 119.943 121.434 -1.491 25454 743 1 2 . 1 1 55 55 ILE HA H 55 3.641 3.641 4.052 -0.411 25454 744 1 2 . 1 1 55 55 ILE C C 55 177.515 177.515 177.911 -0.396 25454 745 1 2 . 1 1 55 55 ILE CA C 55 66.896 66.896 65.575 1.321 25454 746 1 2 . 1 1 55 55 ILE CB C 55 38.500 38.500 38.171 0.329 25454 747 1 2 . 1 1 55 55 ILE H H 55 7.589 7.589 7.420 0.169 25454 748 1 2 . 1 1 56 56 GLU N N 56 118.310 118.310 120.576 -2.266 25454 749 1 2 . 1 1 56 56 GLU HA H 56 4.010 4.010 4.025 -0.015 25454 750 1 2 . 1 1 56 56 GLU C C 56 178.518 178.518 179.246 -0.728 25454 751 1 2 . 1 1 56 56 GLU CA C 56 59.603 59.603 59.742 -0.139 25454 752 1 2 . 1 1 56 56 GLU CB C 56 29.776 29.776 29.629 0.147 25454 753 1 2 . 1 1 56 56 GLU H H 56 7.794 7.794 8.270 -0.476 25454 754 1 2 . 1 1 57 57 TYR N N 57 120.510 120.510 119.825 0.685 25454 755 1 2 . 1 1 57 57 TYR HA H 57 4.239 4.239 4.237 0.002 25454 756 1 2 . 1 1 57 57 TYR C C 57 178.919 178.919 177.940 0.979 25454 757 1 2 . 1 1 57 57 TYR CA C 57 61.600 61.600 59.690 1.910 25454 758 1 2 . 1 1 57 57 TYR CB C 57 39.060 39.060 37.531 1.529 25454 759 1 2 . 1 1 57 57 TYR H H 57 8.495 8.495 8.515 -0.020 25454 760 1 2 . 1 1 58 58 CYS N N 58 117.760 117.760 117.685 0.075 25454 761 1 2 . 1 1 58 58 CYS HA H 58 4.685 4.685 4.428 0.257 25454 762 1 2 . 1 1 58 58 CYS C C 58 177.217 177.217 176.722 0.495 25454 763 1 2 . 1 1 58 58 CYS CA C 58 52.020 52.020 61.722 -9.702 25454 764 1 2 . 1 1 58 58 CYS CB C 58 31.667 31.667 27.187 4.480 25454 765 1 2 . 1 1 58 58 CYS H H 58 8.672 8.672 7.751 0.921 25454 766 1 2 . 1 1 59 59 LYS N N 59 120.550 120.550 119.796 0.754 25454 767 1 2 . 1 1 59 59 LYS HA H 59 4.008 4.008 4.163 -0.155 25454 768 1 2 . 1 1 59 59 LYS C C 59 179.247 179.247 178.533 0.714 25454 769 1 2 . 1 1 59 59 LYS CA C 59 59.790 59.790 58.721 1.069 25454 770 1 2 . 1 1 59 59 LYS CB C 59 32.800 32.800 32.090 0.710 25454 771 1 2 . 1 1 59 59 LYS H H 59 8.481 8.481 8.333 0.148 25454 772 1 2 . 1 1 60 60 LYS N N 60 116.830 116.830 118.389 -1.559 25454 773 1 2 . 1 1 60 60 LYS HA H 60 4.166 4.166 4.259 -0.093 25454 774 1 2 . 1 1 60 60 LYS C C 60 176.432 176.432 177.555 -1.123 25454 775 1 2 . 1 1 60 60 LYS CA C 60 57.260 57.260 58.021 -0.761 25454 776 1 2 . 1 1 60 60 LYS CB C 60 33.760 33.760 33.291 0.469 25454 777 1 2 . 1 1 60 60 LYS H H 60 7.455 7.455 8.170 -0.715 25454 778 1 2 . 1 1 61 61 ASN N N 61 117.140 117.140 119.225 -2.085 25454 779 1 2 . 1 1 61 61 ASN HA H 61 4.686 4.686 5.485 -0.799 25454 780 1 2 . 1 1 61 61 ASN CA C 61 51.300 51.300 51.001 0.299 25454 781 1 2 . 1 1 61 61 ASN CB C 61 40.208 40.208 39.727 0.481 25454 782 1 2 . 1 1 61 61 ASN H H 61 7.368 7.368 8.062 -0.694 25454 783 1 2 . 1 1 62 62 PRO HA H 62 4.227 4.227 4.449 -0.222 25454 784 1 2 . 1 1 62 62 PRO C C 62 177.511 177.511 177.662 -0.151 25454 785 1 2 . 1 1 62 62 PRO CA C 62 65.430 65.430 64.889 0.541 25454 786 1 2 . 1 1 62 62 PRO CB C 62 31.800 31.800 32.206 -0.406 25454 787 1 2 . 1 1 63 63 GLN N N 63 114.045 114.045 113.645 0.400 25454 788 1 2 . 1 1 63 63 GLN HA H 63 4.450 4.450 4.188 0.262 25454 789 1 2 . 1 1 63 63 GLN C C 63 177.766 177.766 176.442 1.324 25454 790 1 2 . 1 1 63 63 GLN CA C 63 56.200 56.200 57.212 -1.012 25454 791 1 2 . 1 1 63 63 GLN CB C 63 28.200 28.200 28.196 0.004 25454 792 1 2 . 1 1 63 63 GLN H H 63 8.578 8.578 8.409 0.169 25454 793 1 2 . 1 1 64 64 LYS N N 64 119.960 119.960 120.098 -0.138 25454 794 1 2 . 1 1 64 64 LYS HA H 64 4.452 4.452 4.173 0.279 25454 795 1 2 . 1 1 64 64 LYS C C 64 176.151 176.151 175.427 0.724 25454 796 1 2 . 1 1 64 64 LYS CA C 64 55.660 55.660 55.674 -0.014 25454 797 1 2 . 1 1 64 64 LYS CB C 64 33.500 33.500 32.791 0.709 25454 798 1 2 . 1 1 64 64 LYS H H 64 7.628 7.628 7.675 -0.047 25454 799 1 2 . 1 1 65 65 ASN N N 65 120.139 120.139 118.400 1.739 25454 800 1 2 . 1 1 65 65 ASN HA H 65 4.807 4.807 4.634 0.173 25454 801 1 2 . 1 1 65 65 ASN CA C 65 54.070 54.070 52.312 1.758 25454 802 1 2 . 1 1 65 65 ASN CB C 65 38.070 38.070 39.701 -1.631 25454 803 1 2 . 1 1 65 65 ASN H H 65 8.936 8.936 8.378 0.558 25454 804 1 2 . 1 1 66 66 LEU N N 66 129.960 129.960 127.774 2.186 25454 805 1 2 . 1 1 66 66 LEU HA H 66 4.165 4.165 3.513 0.652 25454 806 1 2 . 1 1 66 66 LEU C C 66 176.948 176.948 177.572 -0.624 25454 807 1 2 . 1 1 66 66 LEU CA C 66 59.220 59.220 57.413 1.807 25454 808 1 2 . 1 1 66 66 LEU CB C 66 42.830 42.830 41.998 0.832 25454 809 1 2 . 1 1 66 66 LEU H H 66 8.939 8.939 8.563 0.376 25454 810 1 2 . 1 1 67 67 TYR N N 67 115.770 115.770 116.732 -0.962 25454 811 1 2 . 1 1 67 67 TYR HA H 67 4.077 4.077 4.311 -0.234 25454 812 1 2 . 1 1 67 67 TYR C C 67 178.731 178.731 177.817 0.914 25454 813 1 2 . 1 1 67 67 TYR CA C 67 61.277 61.277 58.843 2.434 25454 814 1 2 . 1 1 67 67 TYR CB C 67 36.768 36.768 38.006 -1.238 25454 815 1 2 . 1 1 67 67 TYR H H 67 9.409 9.409 7.755 1.654 25454 816 1 2 . 1 1 68 68 THR N N 68 112.470 112.470 115.578 -3.108 25454 817 1 2 . 1 1 68 68 THR HA H 68 4.268 4.268 4.027 0.241 25454 818 1 2 . 1 1 68 68 THR C C 68 176.104 176.104 176.672 -0.568 25454 819 1 2 . 1 1 68 68 THR CA C 68 64.650 64.650 65.832 -1.183 25454 820 1 2 . 1 1 68 68 THR CB C 68 70.268 70.268 68.487 1.781 25454 821 1 2 . 1 1 68 68 THR H H 68 8.076 8.076 8.068 0.008 25454 822 1 2 . 1 1 69 69 PHE N N 69 123.660 123.660 119.431 4.229 25454 823 1 2 . 1 1 69 69 PHE HA H 69 2.811 2.811 4.559 -1.748 25454 824 1 2 . 1 1 69 69 PHE C C 69 176.290 176.290 176.499 -0.209 25454 825 1 2 . 1 1 69 69 PHE CA C 69 61.510 61.510 56.593 4.917 25454 826 1 2 . 1 1 69 69 PHE CB C 69 39.610 39.610 37.570 2.040 25454 827 1 2 . 1 1 69 69 PHE H H 69 7.969 7.969 7.537 0.432 25454 828 1 2 . 1 1 70 70 LYS N N 70 113.530 113.530 119.702 -6.172 25454 829 1 2 . 1 1 70 70 LYS HA H 70 3.757 3.757 4.141 -0.384 25454 830 1 2 . 1 1 70 70 LYS C C 70 176.269 176.269 177.778 -1.509 25454 831 1 2 . 1 1 70 70 LYS CA C 70 57.840 57.840 57.776 0.064 25454 832 1 2 . 1 1 70 70 LYS CB C 70 32.520 32.520 32.671 -0.151 25454 833 1 2 . 1 1 70 70 LYS H H 70 6.957 6.957 7.732 -0.775 25454 834 1 2 . 1 1 71 71 ASN N N 71 117.360 117.360 118.762 -1.402 25454 835 1 2 . 1 1 71 71 ASN HA H 71 4.652 4.652 4.594 0.058 25454 836 1 2 . 1 1 71 71 ASN C C 71 175.155 175.155 177.431 -2.276 25454 837 1 2 . 1 1 71 71 ASN CA C 71 53.273 53.273 55.350 -2.077 25454 838 1 2 . 1 1 71 71 ASN CB C 71 38.870 38.870 38.076 0.794 25454 839 1 2 . 1 1 71 71 ASN H H 71 7.488 7.488 7.957 -0.469 25454 840 1 2 . 1 1 72 72 GLN N N 72 119.610 119.610 117.636 1.974 25454 841 1 2 . 1 1 72 72 GLN HA H 72 4.202 4.202 4.325 -0.123 25454 842 1 2 . 1 1 72 72 GLN C C 72 179.467 179.467 176.731 2.736 25454 843 1 2 . 1 1 72 72 GLN CA C 72 56.160 56.160 57.541 -1.381 25454 844 1 2 . 1 1 72 72 GLN CB C 72 29.460 29.460 28.637 0.824 25454 845 1 2 . 1 1 72 72 GLN H H 72 7.611 7.611 8.302 -0.691 25454 846 1 2 . 1 1 73 73 ALA N N 73 125.130 125.130 120.880 4.250 25454 847 1 2 . 1 1 73 73 ALA HA H 73 4.198 4.198 4.390 -0.192 25454 848 1 2 . 1 1 73 73 ALA C C 73 177.907 177.907 178.432 -0.525 25454 849 1 2 . 1 1 73 73 ALA CA C 73 52.761 52.761 52.166 0.595 25454 850 1 2 . 1 1 73 73 ALA CB C 73 19.028 19.028 20.363 -1.335 25454 851 1 2 . 1 1 73 73 ALA H H 73 8.072 8.072 7.533 0.539 25454 852 1 2 . 1 1 74 74 SER N N 74 115.100 115.100 111.947 3.153 25454 853 1 2 . 1 1 74 74 SER HA H 74 4.344 4.344 3.888 0.456 25454 854 1 2 . 1 1 74 74 SER C C 74 174.562 174.562 174.008 0.554 25454 855 1 2 . 1 1 74 74 SER CA C 74 58.640 58.640 60.302 -1.662 25454 856 1 2 . 1 1 74 74 SER CB C 74 63.660 63.660 62.869 0.791 25454 857 1 2 . 1 1 74 74 SER H H 74 8.114 8.114 8.194 -0.080 25454 858 1 2 . 1 1 75 75 ASN N N 75 120.950 120.950 117.520 3.430 25454 859 1 2 . 1 1 75 75 ASN HA H 75 4.698 4.698 4.393 0.305 25454 860 1 2 . 1 1 75 75 ASN C C 75 174.790 174.790 175.546 -0.756 25454 861 1 2 . 1 1 75 75 ASN CA C 75 53.340 53.340 54.064 -0.724 25454 862 1 2 . 1 1 75 75 ASN CB C 75 38.980 38.980 38.571 0.409 25454 863 1 2 . 1 1 75 75 ASN H H 75 8.283 8.283 7.982 0.301 25454 864 1 2 . 1 1 76 76 ASP N N 76 120.550 120.550 121.415 -0.865 25454 865 1 2 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.648 -0.045 25454 866 1 2 . 1 1 76 76 ASP C C 76 175.588 175.588 176.306 -0.718 25454 867 1 2 . 1 1 76 76 ASP CA C 76 53.940 53.940 53.875 0.065 25454 868 1 2 . 1 1 76 76 ASP CB C 76 40.510 40.510 40.316 0.194 25454 869 1 2 . 1 1 76 76 ASP H H 76 8.201 8.201 8.617 -0.416 25454 870 1 2 . 1 1 77 77 LEU N N 77 123.780 123.780 118.577 5.203 25454 871 1 2 . 1 1 77 77 LEU HA H 77 4.600 4.600 5.004 -0.404 25454 872 1 2 . 1 1 77 77 LEU CA C 77 52.980 52.980 51.697 1.283 25454 873 1 2 . 1 1 77 77 LEU CB C 77 41.850 41.850 40.440 1.410 25454 874 1 2 . 1 1 77 77 LEU H H 77 8.021 8.021 7.416 0.605 25454 875 1 2 . 1 1 78 78 PRO HA H 78 4.417 4.417 4.520 -0.103 25454 876 1 2 . 1 1 78 78 PRO C C 78 176.058 176.058 175.821 0.237 25454 877 1 2 . 1 1 78 78 PRO CA C 78 63.260 63.260 62.958 0.302 25454 878 1 2 . 1 1 78 78 PRO CB C 78 31.956 31.956 32.465 -0.509 25454 879 1 3 . 1 1 2 2 ASN N N 2 118.440 118.440 119.977 -1.537 25454 880 1 3 . 1 1 2 2 ASN HA H 2 4.660 4.660 4.978 -0.318 25454 881 1 3 . 1 1 2 2 ASN C C 2 174.884 174.884 173.945 0.939 25454 882 1 3 . 1 1 2 2 ASN CA C 2 53.730 53.730 53.233 0.497 25454 883 1 3 . 1 1 2 2 ASN CB C 2 38.500 38.500 40.146 -1.646 25454 884 1 3 . 1 1 2 2 ASN H H 2 8.869 8.869 9.122 -0.253 25454 885 1 3 . 1 1 3 3 GLU N N 3 121.390 121.390 123.632 -2.242 25454 886 1 3 . 1 1 3 3 GLU HA H 3 4.416 4.416 4.649 -0.233 25454 887 1 3 . 1 1 3 3 GLU C C 3 175.916 175.916 174.649 1.267 25454 888 1 3 . 1 1 3 3 GLU CA C 3 56.300 56.300 55.625 0.675 25454 889 1 3 . 1 1 3 3 GLU CB C 3 29.810 29.810 30.950 -1.140 25454 890 1 3 . 1 1 3 3 GLU H H 3 8.560 8.560 8.492 0.068 25454 891 1 3 . 1 1 4 4 SER N N 4 118.190 118.190 117.123 1.067 25454 892 1 3 . 1 1 4 4 SER HA H 4 4.716 4.716 4.614 0.102 25454 893 1 3 . 1 1 4 4 SER C C 4 175.686 175.686 174.342 1.344 25454 894 1 3 . 1 1 4 4 SER CA C 4 57.890 57.890 58.023 -0.133 25454 895 1 3 . 1 1 4 4 SER CB C 4 65.080 65.080 63.566 1.514 25454 896 1 3 . 1 1 4 4 SER H H 4 8.802 8.802 8.545 0.257 25454 897 1 3 . 1 1 5 5 ALA N N 5 128.990 128.990 127.326 1.664 25454 898 1 3 . 1 1 5 5 ALA HA H 5 4.142 4.142 4.033 0.109 25454 899 1 3 . 1 1 5 5 ALA C C 5 179.112 179.112 178.490 0.622 25454 900 1 3 . 1 1 5 5 ALA CA C 5 55.880 55.880 54.859 1.021 25454 901 1 3 . 1 1 5 5 ALA CB C 5 18.110 18.110 18.679 -0.569 25454 902 1 3 . 1 1 5 5 ALA H H 5 8.992 8.992 8.403 0.589 25454 903 1 3 . 1 1 6 6 LYS N N 6 114.810 114.810 113.334 1.476 25454 904 1 3 . 1 1 6 6 LYS HA H 6 3.221 3.221 2.138 1.083 25454 905 1 3 . 1 1 6 6 LYS C C 6 177.448 177.448 175.820 1.628 25454 906 1 3 . 1 1 6 6 LYS CA C 6 57.740 57.740 57.065 0.676 25454 907 1 3 . 1 1 6 6 LYS CB C 6 31.830 31.830 31.405 0.425 25454 908 1 3 . 1 1 6 6 LYS H H 6 7.776 7.776 7.954 -0.178 25454 909 1 3 . 1 1 7 7 ASP N N 7 119.190 119.190 118.114 1.076 25454 910 1 3 . 1 1 7 7 ASP HA H 7 4.748 4.748 4.843 -0.095 25454 911 1 3 . 1 1 7 7 ASP C C 7 176.254 176.254 175.677 0.577 25454 912 1 3 . 1 1 7 7 ASP CA C 7 53.800 53.800 52.579 1.221 25454 913 1 3 . 1 1 7 7 ASP CB C 7 41.560 41.560 42.199 -0.639 25454 914 1 3 . 1 1 7 7 ASP H H 7 7.744 7.744 7.542 0.202 25454 915 1 3 . 1 1 8 8 MET N N 8 122.540 122.540 122.275 0.265 25454 916 1 3 . 1 1 8 8 MET HA H 8 4.502 4.502 4.278 0.224 25454 917 1 3 . 1 1 8 8 MET C C 8 176.932 176.932 175.572 1.360 25454 918 1 3 . 1 1 8 8 MET CA C 8 56.390 56.390 56.533 -0.143 25454 919 1 3 . 1 1 8 8 MET CB C 8 35.300 35.300 33.128 2.172 25454 920 1 3 . 1 1 8 8 MET H H 8 7.925 7.925 7.534 0.391 25454 921 1 3 . 1 1 9 9 THR N N 9 121.410 121.410 122.205 -0.795 25454 922 1 3 . 1 1 9 9 THR HA H 9 4.794 4.794 4.457 0.337 25454 923 1 3 . 1 1 9 9 THR C C 9 176.198 176.198 175.376 0.822 25454 924 1 3 . 1 1 9 9 THR CA C 9 61.960 61.960 62.887 -0.927 25454 925 1 3 . 1 1 9 9 THR CB C 9 72.200 72.200 70.236 1.964 25454 926 1 3 . 1 1 9 9 THR H H 9 9.927 9.927 8.307 1.620 25454 927 1 3 . 1 1 10 10 CYS N N 10 121.150 121.150 126.411 -5.261 25454 928 1 3 . 1 1 10 10 CYS HA H 10 4.685 4.685 4.321 0.364 25454 929 1 3 . 1 1 10 10 CYS C C 10 177.324 177.324 176.949 0.375 25454 930 1 3 . 1 1 10 10 CYS CA C 10 56.970 56.970 62.322 -5.351 25454 931 1 3 . 1 1 10 10 CYS CB C 10 32.440 32.440 25.816 6.624 25454 932 1 3 . 1 1 10 10 CYS H H 10 9.765 9.765 8.855 0.910 25454 933 1 3 . 1 1 11 11 GLN N N 11 121.360 121.360 119.719 1.641 25454 934 1 3 . 1 1 11 11 GLN HA H 11 3.894 3.894 4.133 -0.239 25454 935 1 3 . 1 1 11 11 GLN C C 11 176.902 176.902 177.296 -0.394 25454 936 1 3 . 1 1 11 11 GLN CA C 11 58.680 58.680 58.505 0.175 25454 937 1 3 . 1 1 11 11 GLN CB C 11 28.900 28.900 28.346 0.554 25454 938 1 3 . 1 1 11 11 GLN H H 11 8.583 8.583 8.299 0.284 25454 939 1 3 . 1 1 12 12 GLU N N 12 117.090 117.090 119.368 -2.278 25454 940 1 3 . 1 1 12 12 GLU HA H 12 3.983 3.983 4.158 -0.175 25454 941 1 3 . 1 1 12 12 GLU C C 12 179.763 179.763 178.937 0.826 25454 942 1 3 . 1 1 12 12 GLU CA C 12 59.528 59.528 57.822 1.706 25454 943 1 3 . 1 1 12 12 GLU CB C 12 31.830 31.830 29.912 1.918 25454 944 1 3 . 1 1 12 12 GLU H H 12 7.867 7.867 7.717 0.150 25454 945 1 3 . 1 1 13 13 PHE N N 13 119.630 119.630 122.429 -2.799 25454 946 1 3 . 1 1 13 13 PHE HA H 13 4.269 4.269 4.244 0.025 25454 947 1 3 . 1 1 13 13 PHE C C 13 176.432 176.432 178.055 -1.623 25454 948 1 3 . 1 1 13 13 PHE CA C 13 61.150 61.150 61.344 -0.194 25454 949 1 3 . 1 1 13 13 PHE CB C 13 39.520 39.520 39.587 -0.066 25454 950 1 3 . 1 1 13 13 PHE H H 13 8.182 8.182 8.633 -0.451 25454 951 1 3 . 1 1 14 14 ILE N N 14 114.180 114.180 113.911 0.269 25454 952 1 3 . 1 1 14 14 ILE HA H 14 3.761 3.761 3.739 0.022 25454 953 1 3 . 1 1 14 14 ILE C C 14 177.089 177.089 175.889 1.200 25454 954 1 3 . 1 1 14 14 ILE CA C 14 63.030 63.030 63.273 -0.243 25454 955 1 3 . 1 1 14 14 ILE CB C 14 36.740 36.740 37.191 -0.451 25454 956 1 3 . 1 1 14 14 ILE H H 14 8.191 8.191 8.086 0.105 25454 957 1 3 . 1 1 15 15 ASP N N 15 120.260 120.260 118.997 1.263 25454 958 1 3 . 1 1 15 15 ASP HA H 15 4.716 4.716 4.694 0.022 25454 959 1 3 . 1 1 15 15 ASP C C 15 174.697 174.697 176.419 -1.722 25454 960 1 3 . 1 1 15 15 ASP CA C 15 54.080 54.080 53.478 0.602 25454 961 1 3 . 1 1 15 15 ASP CB C 15 40.810 40.810 42.558 -1.748 25454 962 1 3 . 1 1 15 15 ASP H H 15 7.478 7.478 7.590 -0.112 25454 963 1 3 . 1 1 16 16 LEU N N 16 122.985 122.985 119.542 3.443 25454 964 1 3 . 1 1 16 16 LEU HA H 16 4.067 4.067 4.348 -0.281 25454 965 1 3 . 1 1 16 16 LEU C C 16 176.710 176.710 176.150 0.560 25454 966 1 3 . 1 1 16 16 LEU CA C 16 55.028 55.028 55.083 -0.055 25454 967 1 3 . 1 1 16 16 LEU CB C 16 43.370 43.370 42.712 0.659 25454 968 1 3 . 1 1 16 16 LEU H H 16 7.226 7.226 7.364 -0.138 25454 969 1 3 . 1 1 17 17 ASN N N 17 119.620 119.620 119.464 0.156 25454 970 1 3 . 1 1 17 17 ASN HA H 17 4.634 4.634 4.802 -0.168 25454 971 1 3 . 1 1 17 17 ASN CA C 17 52.048 52.048 51.179 0.869 25454 972 1 3 . 1 1 17 17 ASN CB C 17 39.480 39.480 38.464 1.016 25454 973 1 3 . 1 1 17 17 ASN H H 17 7.265 7.265 8.393 -1.128 25454 974 1 3 . 1 1 18 18 PRO HA H 18 4.137 4.137 4.087 0.050 25454 975 1 3 . 1 1 18 18 PRO C C 18 179.247 179.247 178.055 1.192 25454 976 1 3 . 1 1 18 18 PRO CA C 18 65.370 65.370 64.962 0.408 25454 977 1 3 . 1 1 18 18 PRO CB C 18 32.610 32.610 31.902 0.708 25454 978 1 3 . 1 1 19 19 LYS N N 19 116.450 116.450 118.541 -2.091 25454 979 1 3 . 1 1 19 19 LYS HA H 19 3.856 3.856 3.986 -0.130 25454 980 1 3 . 1 1 19 19 LYS C C 19 176.995 176.995 179.021 -2.026 25454 981 1 3 . 1 1 19 19 LYS CA C 19 59.080 59.080 59.637 -0.557 25454 982 1 3 . 1 1 19 19 LYS CB C 19 34.940 34.940 31.961 2.979 25454 983 1 3 . 1 1 19 19 LYS H H 19 8.445 8.445 8.832 -0.387 25454 984 1 3 . 1 1 20 20 ALA N N 20 116.170 116.170 121.436 -5.266 25454 985 1 3 . 1 1 20 20 ALA HA H 20 4.255 4.255 4.376 -0.121 25454 986 1 3 . 1 1 20 20 ALA C C 20 177.511 177.511 179.371 -1.860 25454 987 1 3 . 1 1 20 20 ALA CA C 20 51.640 51.640 53.845 -2.205 25454 988 1 3 . 1 1 20 20 ALA CB C 20 21.660 21.660 18.089 3.571 25454 989 1 3 . 1 1 20 20 ALA H H 20 8.400 8.400 7.785 0.615 25454 990 1 3 . 1 1 21 21 MET N N 21 117.850 117.850 119.283 -1.433 25454 991 1 3 . 1 1 21 21 MET HA H 21 3.645 3.645 4.086 -0.441 25454 992 1 3 . 1 1 21 21 MET C C 21 177.511 177.511 177.709 -0.198 25454 993 1 3 . 1 1 21 21 MET CA C 21 61.418 61.418 60.028 1.390 25454 994 1 3 . 1 1 21 21 MET CB C 21 33.220 33.220 32.658 0.562 25454 995 1 3 . 1 1 21 21 MET H H 21 7.206 7.206 8.544 -1.338 25454 996 1 3 . 1 1 22 22 THR N N 22 114.690 114.690 115.719 -1.029 25454 997 1 3 . 1 1 22 22 THR HA H 22 4.115 4.115 4.286 -0.171 25454 998 1 3 . 1 1 22 22 THR CA C 22 69.550 69.550 68.617 0.934 25454 999 1 3 . 1 1 22 22 THR CB C 22 65.700 65.700 66.948 -1.248 25454 1000 1 3 . 1 1 22 22 THR H H 22 8.695 8.695 7.814 0.881 25454 1001 1 3 . 1 1 23 23 PRO HA H 23 3.550 3.550 4.293 -0.743 25454 1002 1 3 . 1 1 23 23 PRO C C 23 178.637 178.637 178.557 0.080 25454 1003 1 3 . 1 1 23 23 PRO CA C 23 65.770 65.770 66.091 -0.321 25454 1004 1 3 . 1 1 23 23 PRO CB C 23 31.182 31.182 31.155 0.027 25454 1005 1 3 . 1 1 24 24 VAL N N 24 115.820 115.820 118.772 -2.952 25454 1006 1 3 . 1 1 24 24 VAL HA H 24 3.675 3.675 4.039 -0.364 25454 1007 1 3 . 1 1 24 24 VAL C C 24 177.464 177.464 177.359 0.105 25454 1008 1 3 . 1 1 24 24 VAL CA C 24 67.490 67.490 64.616 2.874 25454 1009 1 3 . 1 1 24 24 VAL CB C 24 31.970 31.970 31.377 0.593 25454 1010 1 3 . 1 1 24 24 VAL H H 24 7.441 7.441 7.531 -0.090 25454 1011 1 3 . 1 1 25 25 ALA N N 25 122.670 122.670 122.508 0.162 25454 1012 1 3 . 1 1 25 25 ALA HA H 25 3.783 3.783 4.201 -0.418 25454 1013 1 3 . 1 1 25 25 ALA C C 25 178.497 178.497 179.054 -0.557 25454 1014 1 3 . 1 1 25 25 ALA CA C 25 55.620 55.620 55.060 0.559 25454 1015 1 3 . 1 1 25 25 ALA CB C 25 18.852 18.852 18.554 0.298 25454 1016 1 3 . 1 1 25 25 ALA H H 25 8.805 8.805 8.534 0.271 25454 1017 1 3 . 1 1 26 26 TRP N N 26 118.270 118.270 120.301 -2.031 25454 1018 1 3 . 1 1 26 26 TRP HA H 26 3.709 3.709 4.595 -0.886 25454 1019 1 3 . 1 1 26 26 TRP C C 26 178.309 178.309 178.216 0.093 25454 1020 1 3 . 1 1 26 26 TRP CA C 26 63.940 63.940 59.903 4.037 25454 1021 1 3 . 1 1 26 26 TRP CB C 26 29.740 29.740 30.284 -0.544 25454 1022 1 3 . 1 1 26 26 TRP H H 26 9.181 9.181 8.045 1.136 25454 1023 1 3 . 1 1 27 27 TRP N N 27 119.740 119.740 122.366 -2.626 25454 1024 1 3 . 1 1 27 27 TRP HA H 27 4.118 4.118 3.302 0.816 25454 1025 1 3 . 1 1 27 27 TRP C C 27 177.511 177.511 177.426 0.085 25454 1026 1 3 . 1 1 27 27 TRP CA C 27 60.588 60.588 58.922 1.666 25454 1027 1 3 . 1 1 27 27 TRP CB C 27 30.021 30.021 29.258 0.763 25454 1028 1 3 . 1 1 27 27 TRP H H 27 8.527 8.527 9.143 -0.616 25454 1029 1 3 . 1 1 28 28 MET N N 28 119.130 119.130 118.720 0.410 25454 1030 1 3 . 1 1 28 28 MET HA H 28 3.618 3.618 3.750 -0.132 25454 1031 1 3 . 1 1 28 28 MET C C 28 177.587 177.587 177.121 0.466 25454 1032 1 3 . 1 1 28 28 MET CA C 28 58.540 58.540 57.973 0.567 25454 1033 1 3 . 1 1 28 28 MET CB C 28 29.392 29.392 31.538 -2.146 25454 1034 1 3 . 1 1 28 28 MET H H 28 7.756 7.756 7.798 -0.042 25454 1035 1 3 . 1 1 29 29 LEU N N 29 117.820 117.820 115.729 2.091 25454 1036 1 3 . 1 1 29 29 LEU HA H 29 3.559 3.559 3.965 -0.406 25454 1037 1 3 . 1 1 29 29 LEU C C 29 179.417 179.417 176.909 2.508 25454 1038 1 3 . 1 1 29 29 LEU CA C 29 57.043 57.043 55.571 1.472 25454 1039 1 3 . 1 1 29 29 LEU CB C 29 42.676 42.676 41.407 1.269 25454 1040 1 3 . 1 1 29 29 LEU H H 29 7.838 7.838 7.464 0.374 25454 1041 1 3 . 1 1 30 30 HIS N N 30 113.790 113.790 113.020 0.770 25454 1042 1 3 . 1 1 30 30 HIS HA H 30 4.059 4.059 4.610 -0.551 25454 1043 1 3 . 1 1 30 30 HIS C C 30 176.289 176.289 175.621 0.668 25454 1044 1 3 . 1 1 30 30 HIS CA C 30 56.030 56.030 56.336 -0.305 25454 1045 1 3 . 1 1 30 30 HIS CB C 30 29.216 29.216 33.407 -4.191 25454 1046 1 3 . 1 1 30 30 HIS H H 30 7.757 7.757 7.507 0.250 25454 1047 1 3 . 1 1 31 31 GLU N N 31 125.870 125.870 118.874 6.996 25454 1048 1 3 . 1 1 31 31 GLU HA H 31 4.450 4.450 3.781 0.669 25454 1049 1 3 . 1 1 31 31 GLU C C 31 176.775 176.775 176.633 0.142 25454 1050 1 3 . 1 1 31 31 GLU CA C 31 56.160 56.160 56.924 -0.764 25454 1051 1 3 . 1 1 31 31 GLU CB C 31 28.386 28.386 30.156 -1.770 25454 1052 1 3 . 1 1 31 31 GLU H H 31 8.916 8.916 8.336 0.580 25454 1053 1 3 . 1 1 32 32 GLU N N 32 116.185 116.185 120.572 -4.387 25454 1054 1 3 . 1 1 32 32 GLU HA H 32 3.563 3.563 4.467 -0.904 25454 1055 1 3 . 1 1 32 32 GLU C C 32 174.994 174.994 175.994 -1.000 25454 1056 1 3 . 1 1 32 32 GLU CA C 32 58.090 58.090 56.659 1.431 25454 1057 1 3 . 1 1 32 32 GLU CB C 32 26.783 26.783 28.178 -1.395 25454 1058 1 3 . 1 1 32 32 GLU H H 32 9.330 9.330 8.313 1.017 25454 1059 1 3 . 1 1 33 33 THR N N 33 110.202 110.202 115.294 -5.092 25454 1060 1 3 . 1 1 33 33 THR HA H 33 4.696 4.696 4.256 0.440 25454 1061 1 3 . 1 1 33 33 THR C C 33 173.529 173.529 174.132 -0.603 25454 1062 1 3 . 1 1 33 33 THR CA C 33 60.129 60.129 62.104 -1.975 25454 1063 1 3 . 1 1 33 33 THR CB C 33 71.864 71.864 69.592 2.272 25454 1064 1 3 . 1 1 33 33 THR H H 33 7.620 7.620 7.515 0.105 25454 1065 1 3 . 1 1 34 34 VAL N N 34 121.967 121.967 126.161 -4.194 25454 1066 1 3 . 1 1 34 34 VAL HA H 34 4.139 4.139 4.215 -0.076 25454 1067 1 3 . 1 1 34 34 VAL C C 34 172.579 172.579 175.520 -2.941 25454 1068 1 3 . 1 1 34 34 VAL CA C 34 63.032 63.032 62.749 0.283 25454 1069 1 3 . 1 1 34 34 VAL CB C 34 32.594 32.594 32.617 -0.023 25454 1070 1 3 . 1 1 34 34 VAL H H 34 8.308 8.308 8.315 -0.007 25454 1071 1 3 . 1 1 35 35 TYR N N 35 129.550 129.550 125.837 3.713 25454 1072 1 3 . 1 1 35 35 TYR HA H 35 4.562 4.562 4.485 0.077 25454 1073 1 3 . 1 1 35 35 TYR CA C 35 58.660 58.660 59.057 -0.397 25454 1074 1 3 . 1 1 35 35 TYR CB C 35 39.520 39.520 39.357 0.163 25454 1075 1 3 . 1 1 35 35 TYR H H 35 8.610 8.610 8.607 0.003 25454 1076 1 3 . 1 1 36 36 LYS N N 36 129.360 129.360 122.944 6.416 25454 1077 1 3 . 1 1 36 36 LYS HA H 36 4.411 4.411 4.478 -0.067 25454 1078 1 3 . 1 1 36 36 LYS CA C 36 55.626 55.626 55.650 -0.024 25454 1079 1 3 . 1 1 36 36 LYS CB C 36 32.790 32.790 35.179 -2.389 25454 1080 1 3 . 1 1 36 36 LYS H H 36 8.509 8.509 8.214 0.295 25454 1081 1 3 . 1 1 37 37 GLY N N 37 109.150 109.150 110.354 -1.204 25454 1082 1 3 . 1 1 37 37 GLY C C 37 174.428 174.428 174.165 0.263 25454 1083 1 3 . 1 1 37 37 GLY CA C 37 46.427 46.427 45.743 0.684 25454 1084 1 3 . 1 1 37 37 GLY H H 37 6.819 6.819 8.818 -1.999 25454 1085 1 3 . 1 1 38 38 GLY N N 38 110.780 110.780 108.210 2.570 25454 1086 1 3 . 1 1 38 38 GLY C C 38 174.108 174.108 172.296 1.812 25454 1087 1 3 . 1 1 38 38 GLY CA C 38 44.972 44.972 45.233 -0.261 25454 1088 1 3 . 1 1 38 38 GLY H H 38 8.365 8.365 7.820 0.545 25454 1089 1 3 . 1 1 39 39 ASP N N 39 120.800 120.800 117.680 3.120 25454 1090 1 3 . 1 1 39 39 ASP HA H 39 4.789 4.789 4.678 0.111 25454 1091 1 3 . 1 1 39 39 ASP C C 39 177.820 177.820 176.704 1.116 25454 1092 1 3 . 1 1 39 39 ASP CA C 39 55.340 55.340 54.241 1.099 25454 1093 1 3 . 1 1 39 39 ASP CB C 39 41.150 41.150 40.701 0.449 25454 1094 1 3 . 1 1 39 39 ASP H H 39 8.476 8.476 8.481 -0.005 25454 1095 1 3 . 1 1 40 40 THR N N 40 111.201 111.201 114.689 -3.488 25454 1096 1 3 . 1 1 40 40 THR HA H 40 3.753 3.753 4.437 -0.684 25454 1097 1 3 . 1 1 40 40 THR C C 40 175.526 175.526 175.906 -0.380 25454 1098 1 3 . 1 1 40 40 THR CA C 40 60.300 60.300 61.319 -1.019 25454 1099 1 3 . 1 1 40 40 THR CB C 40 71.278 71.278 67.069 4.209 25454 1100 1 3 . 1 1 40 40 THR H H 40 8.132 8.132 8.262 -0.130 25454 1101 1 3 . 1 1 41 41 VAL N N 41 125.014 125.014 118.615 6.399 25454 1102 1 3 . 1 1 41 41 VAL HA H 41 3.831 3.831 3.874 -0.043 25454 1103 1 3 . 1 1 41 41 VAL C C 41 174.100 174.100 175.929 -1.829 25454 1104 1 3 . 1 1 41 41 VAL CA C 41 63.988 63.988 62.855 1.133 25454 1105 1 3 . 1 1 41 41 VAL CB C 41 30.465 30.465 30.747 -0.282 25454 1106 1 3 . 1 1 41 41 VAL H H 41 8.278 8.278 7.602 0.676 25454 1107 1 3 . 1 1 42 42 THR N N 42 121.970 121.970 114.513 7.457 25454 1108 1 3 . 1 1 42 42 THR HA H 42 4.603 4.603 4.090 0.513 25454 1109 1 3 . 1 1 42 42 THR C C 42 172.978 172.978 174.827 -1.849 25454 1110 1 3 . 1 1 42 42 THR CA C 42 60.166 60.166 62.415 -2.249 25454 1111 1 3 . 1 1 42 42 THR CB C 42 70.588 70.588 69.520 1.068 25454 1112 1 3 . 1 1 42 42 THR H H 42 7.849 7.849 7.672 0.177 25454 1113 1 3 . 1 1 43 43 LEU N N 43 122.979 122.979 124.871 -1.892 25454 1114 1 3 . 1 1 43 43 LEU HA H 43 5.041 5.041 4.376 0.665 25454 1115 1 3 . 1 1 43 43 LEU CA C 43 55.072 55.072 54.718 0.354 25454 1116 1 3 . 1 1 43 43 LEU CB C 43 42.661 42.661 40.233 2.428 25454 1117 1 3 . 1 1 43 43 LEU H H 43 8.310 8.310 8.487 -0.177 25454 1118 1 3 . 1 1 44 44 ASN N N 44 124.579 124.579 122.423 2.156 25454 1119 1 3 . 1 1 44 44 ASN HA H 44 5.135 5.135 4.627 0.508 25454 1120 1 3 . 1 1 44 44 ASN C C 44 175.736 175.736 176.045 -0.309 25454 1121 1 3 . 1 1 44 44 ASN CA C 44 50.814 50.814 53.083 -2.269 25454 1122 1 3 . 1 1 44 44 ASN CB C 44 40.280 40.280 39.432 0.848 25454 1123 1 3 . 1 1 44 44 ASN H H 44 9.542 9.542 8.225 1.317 25454 1124 1 3 . 1 1 45 45 GLU N N 45 118.210 118.210 119.159 -0.949 25454 1125 1 3 . 1 1 45 45 GLU HA H 45 4.088 4.088 4.066 0.022 25454 1126 1 3 . 1 1 45 45 GLU C C 45 179.010 179.010 178.551 0.459 25454 1127 1 3 . 1 1 45 45 GLU CA C 45 60.349 60.349 59.515 0.834 25454 1128 1 3 . 1 1 45 45 GLU CB C 45 28.908 28.908 29.461 -0.553 25454 1129 1 3 . 1 1 45 45 GLU H H 45 8.752 8.752 8.916 -0.164 25454 1130 1 3 . 1 1 46 46 THR N N 46 116.430 116.430 117.486 -1.056 25454 1131 1 3 . 1 1 46 46 THR HA H 46 4.114 4.114 4.007 0.107 25454 1132 1 3 . 1 1 46 46 THR C C 46 176.994 176.994 176.518 0.476 25454 1133 1 3 . 1 1 46 46 THR CA C 46 66.260 66.260 67.026 -0.766 25454 1134 1 3 . 1 1 46 46 THR CB C 46 68.270 68.270 68.659 -0.389 25454 1135 1 3 . 1 1 46 46 THR H H 46 8.043 8.043 7.854 0.189 25454 1136 1 3 . 1 1 47 47 ASP N N 47 124.380 124.380 122.943 1.437 25454 1137 1 3 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.430 -0.086 25454 1138 1 3 . 1 1 47 47 ASP C C 47 178.914 178.914 178.483 0.431 25454 1139 1 3 . 1 1 47 47 ASP CA C 47 58.630 58.630 57.953 0.677 25454 1140 1 3 . 1 1 47 47 ASP CB C 47 42.350 42.350 40.832 1.518 25454 1141 1 3 . 1 1 47 47 ASP H H 47 8.475 8.475 8.564 -0.089 25454 1142 1 3 . 1 1 48 48 LEU N N 48 116.889 116.889 119.184 -2.295 25454 1143 1 3 . 1 1 48 48 LEU HA H 48 4.118 4.118 4.145 -0.027 25454 1144 1 3 . 1 1 48 48 LEU C C 48 175.839 175.839 179.184 -3.345 25454 1145 1 3 . 1 1 48 48 LEU CA C 48 57.432 57.432 57.838 -0.406 25454 1146 1 3 . 1 1 48 48 LEU CB C 48 41.430 41.430 41.895 -0.465 25454 1147 1 3 . 1 1 48 48 LEU H H 48 8.082 8.082 8.279 -0.197 25454 1148 1 3 . 1 1 49 49 THR N N 49 112.550 112.550 115.463 -2.913 25454 1149 1 3 . 1 1 49 49 THR HA H 49 4.310 4.310 4.084 0.226 25454 1150 1 3 . 1 1 49 49 THR C C 49 177.306 177.306 176.454 0.852 25454 1151 1 3 . 1 1 49 49 THR CA C 49 64.520 64.520 66.232 -1.712 25454 1152 1 3 . 1 1 49 49 THR CB C 49 69.525 69.525 68.897 0.628 25454 1153 1 3 . 1 1 49 49 THR H H 49 7.743 7.743 8.059 -0.316 25454 1154 1 3 . 1 1 50 50 GLN N N 50 121.570 121.570 120.878 0.692 25454 1155 1 3 . 1 1 50 50 GLN HA H 50 4.344 4.344 4.173 0.171 25454 1156 1 3 . 1 1 50 50 GLN C C 50 178.308 178.308 178.426 -0.118 25454 1157 1 3 . 1 1 50 50 GLN CA C 50 58.630 58.630 58.423 0.207 25454 1158 1 3 . 1 1 50 50 GLN CB C 50 30.850 30.850 28.569 2.281 25454 1159 1 3 . 1 1 50 50 GLN H H 50 8.519 8.519 8.093 0.426 25454 1160 1 3 . 1 1 51 51 ILE N N 51 120.320 120.320 120.808 -0.488 25454 1161 1 3 . 1 1 51 51 ILE HA H 51 3.573 3.573 4.001 -0.428 25454 1162 1 3 . 1 1 51 51 ILE CA C 51 69.155 69.155 66.290 2.865 25454 1163 1 3 . 1 1 51 51 ILE CB C 51 35.659 35.659 35.621 0.038 25454 1164 1 3 . 1 1 51 51 ILE H H 51 8.663 8.663 8.743 -0.080 25454 1165 1 3 . 1 1 52 52 PRO HA H 52 4.301 4.301 4.317 -0.016 25454 1166 1 3 . 1 1 52 52 PRO C C 52 179.686 179.686 178.680 1.006 25454 1167 1 3 . 1 1 52 52 PRO CA C 52 66.190 66.190 65.363 0.827 25454 1168 1 3 . 1 1 52 52 PRO CB C 52 31.270 31.270 31.361 -0.091 25454 1169 1 3 . 1 1 53 53 LYS N N 53 116.520 116.520 118.460 -1.940 25454 1170 1 3 . 1 1 53 53 LYS HA H 53 4.231 4.231 4.199 0.032 25454 1171 1 3 . 1 1 53 53 LYS C C 53 179.475 179.475 179.063 0.412 25454 1172 1 3 . 1 1 53 53 LYS CA C 53 59.017 59.017 58.700 0.317 25454 1173 1 3 . 1 1 53 53 LYS CB C 53 31.796 31.796 31.844 -0.048 25454 1174 1 3 . 1 1 53 53 LYS H H 53 7.016 7.016 7.501 -0.485 25454 1175 1 3 . 1 1 54 54 VAL N N 54 125.220 125.220 116.010 9.210 25454 1176 1 3 . 1 1 54 54 VAL HA H 54 3.022 3.022 4.070 -1.048 25454 1177 1 3 . 1 1 54 54 VAL C C 54 177.692 177.692 177.788 -0.096 25454 1178 1 3 . 1 1 54 54 VAL CA C 54 65.860 65.860 65.267 0.593 25454 1179 1 3 . 1 1 54 54 VAL CB C 54 30.623 30.623 30.814 -0.191 25454 1180 1 3 . 1 1 54 54 VAL H H 54 8.068 8.068 8.268 -0.200 25454 1181 1 3 . 1 1 55 55 ILE N N 55 119.943 119.943 122.319 -2.376 25454 1182 1 3 . 1 1 55 55 ILE HA H 55 3.641 3.641 4.122 -0.481 25454 1183 1 3 . 1 1 55 55 ILE C C 55 177.515 177.515 177.946 -0.431 25454 1184 1 3 . 1 1 55 55 ILE CA C 55 66.896 66.896 65.792 1.104 25454 1185 1 3 . 1 1 55 55 ILE CB C 55 38.500 38.500 37.948 0.552 25454 1186 1 3 . 1 1 55 55 ILE H H 55 7.589 7.589 7.555 0.034 25454 1187 1 3 . 1 1 56 56 GLU N N 56 118.310 118.310 120.960 -2.650 25454 1188 1 3 . 1 1 56 56 GLU HA H 56 4.010 4.010 3.985 0.025 25454 1189 1 3 . 1 1 56 56 GLU C C 56 178.518 178.518 179.154 -0.636 25454 1190 1 3 . 1 1 56 56 GLU CA C 56 59.603 59.603 60.014 -0.411 25454 1191 1 3 . 1 1 56 56 GLU CB C 56 29.776 29.776 29.666 0.110 25454 1192 1 3 . 1 1 56 56 GLU H H 56 7.794 7.794 8.390 -0.596 25454 1193 1 3 . 1 1 57 57 TYR N N 57 120.510 120.510 119.367 1.143 25454 1194 1 3 . 1 1 57 57 TYR HA H 57 4.239 4.239 4.262 -0.023 25454 1195 1 3 . 1 1 57 57 TYR C C 57 178.919 178.919 178.125 0.794 25454 1196 1 3 . 1 1 57 57 TYR CA C 57 61.600 61.600 61.255 0.345 25454 1197 1 3 . 1 1 57 57 TYR CB C 57 39.060 39.060 38.101 0.959 25454 1198 1 3 . 1 1 57 57 TYR H H 57 8.495 8.495 8.664 -0.169 25454 1199 1 3 . 1 1 58 58 CYS N N 58 117.760 117.760 117.437 0.323 25454 1200 1 3 . 1 1 58 58 CYS HA H 58 4.685 4.685 4.394 0.291 25454 1201 1 3 . 1 1 58 58 CYS C C 58 177.217 177.217 176.505 0.712 25454 1202 1 3 . 1 1 58 58 CYS CA C 58 52.020 52.020 61.282 -9.262 25454 1203 1 3 . 1 1 58 58 CYS CB C 58 31.667 31.667 27.218 4.449 25454 1204 1 3 . 1 1 58 58 CYS H H 58 8.672 8.672 7.740 0.932 25454 1205 1 3 . 1 1 59 59 LYS N N 59 120.550 120.550 119.770 0.780 25454 1206 1 3 . 1 1 59 59 LYS HA H 59 4.008 4.008 4.098 -0.090 25454 1207 1 3 . 1 1 59 59 LYS C C 59 179.247 179.247 178.428 0.819 25454 1208 1 3 . 1 1 59 59 LYS CA C 59 59.790 59.790 58.792 0.998 25454 1209 1 3 . 1 1 59 59 LYS CB C 59 32.800 32.800 31.978 0.822 25454 1210 1 3 . 1 1 59 59 LYS H H 59 8.481 8.481 8.472 0.009 25454 1211 1 3 . 1 1 60 60 LYS N N 60 116.830 116.830 118.268 -1.438 25454 1212 1 3 . 1 1 60 60 LYS HA H 60 4.166 4.166 4.186 -0.020 25454 1213 1 3 . 1 1 60 60 LYS C C 60 176.432 176.432 176.839 -0.407 25454 1214 1 3 . 1 1 60 60 LYS CA C 60 57.260 57.260 57.972 -0.712 25454 1215 1 3 . 1 1 60 60 LYS CB C 60 33.760 33.760 32.907 0.853 25454 1216 1 3 . 1 1 60 60 LYS H H 60 7.455 7.455 8.451 -0.996 25454 1217 1 3 . 1 1 61 61 ASN N N 61 117.140 117.140 115.952 1.188 25454 1218 1 3 . 1 1 61 61 ASN HA H 61 4.686 4.686 5.252 -0.566 25454 1219 1 3 . 1 1 61 61 ASN CA C 61 51.300 51.300 51.133 0.168 25454 1220 1 3 . 1 1 61 61 ASN CB C 61 40.208 40.208 38.705 1.504 25454 1221 1 3 . 1 1 61 61 ASN H H 61 7.368 7.368 7.394 -0.026 25454 1222 1 3 . 1 1 62 62 PRO HA H 62 4.227 4.227 4.317 -0.090 25454 1223 1 3 . 1 1 62 62 PRO C C 62 177.511 177.511 177.326 0.185 25454 1224 1 3 . 1 1 62 62 PRO CA C 62 65.430 65.430 65.135 0.295 25454 1225 1 3 . 1 1 62 62 PRO CB C 62 31.800 31.800 32.068 -0.268 25454 1226 1 3 . 1 1 63 63 GLN N N 63 114.045 114.045 112.843 1.202 25454 1227 1 3 . 1 1 63 63 GLN HA H 63 4.450 4.450 4.155 0.295 25454 1228 1 3 . 1 1 63 63 GLN C C 63 177.766 177.766 175.727 2.039 25454 1229 1 3 . 1 1 63 63 GLN CA C 63 56.200 56.200 56.010 0.191 25454 1230 1 3 . 1 1 63 63 GLN CB C 63 28.200 28.200 28.070 0.130 25454 1231 1 3 . 1 1 63 63 GLN H H 63 8.578 8.578 8.363 0.215 25454 1232 1 3 . 1 1 64 64 LYS N N 64 119.960 119.960 121.915 -1.955 25454 1233 1 3 . 1 1 64 64 LYS HA H 64 4.452 4.452 4.183 0.269 25454 1234 1 3 . 1 1 64 64 LYS C C 64 176.151 176.151 175.802 0.349 25454 1235 1 3 . 1 1 64 64 LYS CA C 64 55.660 55.660 56.167 -0.507 25454 1236 1 3 . 1 1 64 64 LYS CB C 64 33.500 33.500 32.973 0.527 25454 1237 1 3 . 1 1 64 64 LYS H H 64 7.628 7.628 7.727 -0.099 25454 1238 1 3 . 1 1 65 65 ASN N N 65 120.139 120.139 118.071 2.068 25454 1239 1 3 . 1 1 65 65 ASN HA H 65 4.807 4.807 4.547 0.260 25454 1240 1 3 . 1 1 65 65 ASN CA C 65 54.070 54.070 53.145 0.925 25454 1241 1 3 . 1 1 65 65 ASN CB C 65 38.070 38.070 39.384 -1.314 25454 1242 1 3 . 1 1 65 65 ASN H H 65 8.936 8.936 8.293 0.643 25454 1243 1 3 . 1 1 66 66 LEU N N 66 129.960 129.960 125.256 4.704 25454 1244 1 3 . 1 1 66 66 LEU HA H 66 4.165 4.165 3.526 0.639 25454 1245 1 3 . 1 1 66 66 LEU C C 66 176.948 176.948 177.838 -0.890 25454 1246 1 3 . 1 1 66 66 LEU CA C 66 59.220 59.220 57.006 2.214 25454 1247 1 3 . 1 1 66 66 LEU CB C 66 42.830 42.830 42.014 0.816 25454 1248 1 3 . 1 1 66 66 LEU H H 66 8.939 8.939 8.564 0.375 25454 1249 1 3 . 1 1 67 67 TYR N N 67 115.770 115.770 117.237 -1.467 25454 1250 1 3 . 1 1 67 67 TYR HA H 67 4.077 4.077 4.257 -0.180 25454 1251 1 3 . 1 1 67 67 TYR C C 67 178.731 178.731 178.090 0.641 25454 1252 1 3 . 1 1 67 67 TYR CA C 67 61.277 61.277 59.983 1.294 25454 1253 1 3 . 1 1 67 67 TYR CB C 67 36.768 36.768 38.174 -1.406 25454 1254 1 3 . 1 1 67 67 TYR H H 67 9.409 9.409 8.269 1.140 25454 1255 1 3 . 1 1 68 68 THR N N 68 112.470 112.470 116.445 -3.975 25454 1256 1 3 . 1 1 68 68 THR HA H 68 4.268 4.268 4.124 0.144 25454 1257 1 3 . 1 1 68 68 THR C C 68 176.104 176.104 176.686 -0.582 25454 1258 1 3 . 1 1 68 68 THR CA C 68 64.650 64.650 64.850 -0.200 25454 1259 1 3 . 1 1 68 68 THR CB C 68 70.268 70.268 68.362 1.906 25454 1260 1 3 . 1 1 68 68 THR H H 68 8.076 8.076 8.237 -0.161 25454 1261 1 3 . 1 1 69 69 PHE N N 69 123.660 123.660 119.606 4.054 25454 1262 1 3 . 1 1 69 69 PHE HA H 69 2.811 2.811 4.416 -1.605 25454 1263 1 3 . 1 1 69 69 PHE C C 69 176.290 176.290 176.797 -0.507 25454 1264 1 3 . 1 1 69 69 PHE CA C 69 61.510 61.510 57.636 3.874 25454 1265 1 3 . 1 1 69 69 PHE CB C 69 39.610 39.610 37.815 1.796 25454 1266 1 3 . 1 1 69 69 PHE H H 69 7.969 7.969 7.762 0.207 25454 1267 1 3 . 1 1 70 70 LYS N N 70 113.530 113.530 120.378 -6.848 25454 1268 1 3 . 1 1 70 70 LYS HA H 70 3.757 3.757 3.992 -0.235 25454 1269 1 3 . 1 1 70 70 LYS C C 70 176.269 176.269 178.561 -2.292 25454 1270 1 3 . 1 1 70 70 LYS CA C 70 57.840 57.840 58.375 -0.535 25454 1271 1 3 . 1 1 70 70 LYS CB C 70 32.520 32.520 32.497 0.023 25454 1272 1 3 . 1 1 70 70 LYS H H 70 6.957 6.957 7.894 -0.937 25454 1273 1 3 . 1 1 71 71 ASN N N 71 117.360 117.360 117.967 -0.607 25454 1274 1 3 . 1 1 71 71 ASN HA H 71 4.652 4.652 4.505 0.147 25454 1275 1 3 . 1 1 71 71 ASN C C 71 175.155 175.155 176.819 -1.664 25454 1276 1 3 . 1 1 71 71 ASN CA C 71 53.273 53.273 55.307 -2.034 25454 1277 1 3 . 1 1 71 71 ASN CB C 71 38.870 38.870 38.557 0.312 25454 1278 1 3 . 1 1 71 71 ASN H H 71 7.488 7.488 8.127 -0.639 25454 1279 1 3 . 1 1 72 72 GLN N N 72 119.610 119.610 117.057 2.553 25454 1280 1 3 . 1 1 72 72 GLN HA H 72 4.202 4.202 4.202 0.000 25454 1281 1 3 . 1 1 72 72 GLN C C 72 179.467 179.467 176.028 3.439 25454 1282 1 3 . 1 1 72 72 GLN CA C 72 56.160 56.160 56.599 -0.439 25454 1283 1 3 . 1 1 72 72 GLN CB C 72 29.460 29.460 28.907 0.553 25454 1284 1 3 . 1 1 72 72 GLN H H 72 7.611 7.611 8.224 -0.613 25454 1285 1 3 . 1 1 73 73 ALA N N 73 125.130 125.130 123.739 1.391 25454 1286 1 3 . 1 1 73 73 ALA HA H 73 4.198 4.198 4.681 -0.483 25454 1287 1 3 . 1 1 73 73 ALA C C 73 177.907 177.907 177.279 0.628 25454 1288 1 3 . 1 1 73 73 ALA CA C 73 52.761 52.761 50.319 2.442 25454 1289 1 3 . 1 1 73 73 ALA CB C 73 19.028 19.028 19.232 -0.204 25454 1290 1 3 . 1 1 73 73 ALA H H 73 8.072 8.072 7.331 0.741 25454 1291 1 3 . 1 1 74 74 SER N N 74 115.100 115.100 121.608 -6.508 25454 1292 1 3 . 1 1 74 74 SER HA H 74 4.344 4.344 4.071 0.273 25454 1293 1 3 . 1 1 74 74 SER C C 74 174.562 174.562 174.314 0.248 25454 1294 1 3 . 1 1 74 74 SER CA C 74 58.640 58.640 59.768 -1.128 25454 1295 1 3 . 1 1 74 74 SER CB C 74 63.660 63.660 63.350 0.310 25454 1296 1 3 . 1 1 74 74 SER H H 74 8.114 8.114 8.796 -0.682 25454 1297 1 3 . 1 1 75 75 ASN N N 75 120.950 120.950 118.614 2.336 25454 1298 1 3 . 1 1 75 75 ASN HA H 75 4.698 4.698 4.466 0.232 25454 1299 1 3 . 1 1 75 75 ASN C C 75 174.790 174.790 175.108 -0.318 25454 1300 1 3 . 1 1 75 75 ASN CA C 75 53.340 53.340 54.176 -0.836 25454 1301 1 3 . 1 1 75 75 ASN CB C 75 38.980 38.980 38.021 0.959 25454 1302 1 3 . 1 1 75 75 ASN H H 75 8.283 8.283 7.968 0.315 25454 1303 1 3 . 1 1 76 76 ASP N N 76 120.550 120.550 120.110 0.440 25454 1304 1 3 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.518 0.085 25454 1305 1 3 . 1 1 76 76 ASP C C 76 175.588 175.588 176.735 -1.147 25454 1306 1 3 . 1 1 76 76 ASP CA C 76 53.940 53.940 55.972 -2.032 25454 1307 1 3 . 1 1 76 76 ASP CB C 76 40.510 40.510 41.400 -0.890 25454 1308 1 3 . 1 1 76 76 ASP H H 76 8.201 8.201 8.626 -0.425 25454 1309 1 3 . 1 1 77 77 LEU N N 77 123.780 123.780 117.364 6.416 25454 1310 1 3 . 1 1 77 77 LEU HA H 77 4.600 4.600 4.475 0.125 25454 1311 1 3 . 1 1 77 77 LEU CA C 77 52.980 52.980 51.688 1.292 25454 1312 1 3 . 1 1 77 77 LEU CB C 77 41.850 41.850 40.347 1.503 25454 1313 1 3 . 1 1 77 77 LEU H H 77 8.021 8.021 7.606 0.415 25454 1314 1 3 . 1 1 78 78 PRO HA H 78 4.417 4.417 4.501 -0.084 25454 1315 1 3 . 1 1 78 78 PRO C C 78 176.058 176.058 176.562 -0.504 25454 1316 1 3 . 1 1 78 78 PRO CA C 78 63.260 63.260 62.321 0.939 25454 1317 1 3 . 1 1 78 78 PRO CB C 78 31.956 31.956 32.316 -0.360 25454 1318 1 4 . 1 1 2 2 ASN N N 2 118.440 118.440 118.306 0.134 25454 1319 1 4 . 1 1 2 2 ASN HA H 2 4.660 4.660 4.661 -0.001 25454 1320 1 4 . 1 1 2 2 ASN C C 2 174.884 174.884 175.439 -0.555 25454 1321 1 4 . 1 1 2 2 ASN CA C 2 53.730 53.730 53.211 0.519 25454 1322 1 4 . 1 1 2 2 ASN CB C 2 38.500 38.500 38.692 -0.192 25454 1323 1 4 . 1 1 2 2 ASN H H 2 8.869 8.869 8.378 0.491 25454 1324 1 4 . 1 1 3 3 GLU N N 3 121.390 121.390 119.502 1.888 25454 1325 1 4 . 1 1 3 3 GLU HA H 3 4.416 4.416 4.214 0.202 25454 1326 1 4 . 1 1 3 3 GLU C C 3 175.916 175.916 176.475 -0.559 25454 1327 1 4 . 1 1 3 3 GLU CA C 3 56.300 56.300 57.413 -1.113 25454 1328 1 4 . 1 1 3 3 GLU CB C 3 29.810 29.810 29.654 0.156 25454 1329 1 4 . 1 1 3 3 GLU H H 3 8.560 8.560 8.496 0.064 25454 1330 1 4 . 1 1 4 4 SER N N 4 118.190 118.190 113.480 4.710 25454 1331 1 4 . 1 1 4 4 SER HA H 4 4.716 4.716 4.294 0.422 25454 1332 1 4 . 1 1 4 4 SER C C 4 175.686 175.686 174.335 1.351 25454 1333 1 4 . 1 1 4 4 SER CA C 4 57.890 57.890 57.647 0.243 25454 1334 1 4 . 1 1 4 4 SER CB C 4 65.080 65.080 62.566 2.514 25454 1335 1 4 . 1 1 4 4 SER H H 4 8.802 8.802 7.974 0.828 25454 1336 1 4 . 1 1 5 5 ALA N N 5 128.990 128.990 129.452 -0.462 25454 1337 1 4 . 1 1 5 5 ALA HA H 5 4.142 4.142 4.128 0.014 25454 1338 1 4 . 1 1 5 5 ALA C C 5 179.112 179.112 178.605 0.507 25454 1339 1 4 . 1 1 5 5 ALA CA C 5 55.880 55.880 54.471 1.409 25454 1340 1 4 . 1 1 5 5 ALA CB C 5 18.110 18.110 19.044 -0.934 25454 1341 1 4 . 1 1 5 5 ALA H H 5 8.992 8.992 8.777 0.215 25454 1342 1 4 . 1 1 6 6 LYS N N 6 114.810 114.810 114.779 0.031 25454 1343 1 4 . 1 1 6 6 LYS HA H 6 3.221 3.221 3.322 -0.101 25454 1344 1 4 . 1 1 6 6 LYS C C 6 177.448 177.448 176.117 1.331 25454 1345 1 4 . 1 1 6 6 LYS CA C 6 57.740 57.740 57.550 0.191 25454 1346 1 4 . 1 1 6 6 LYS CB C 6 31.830 31.830 31.215 0.615 25454 1347 1 4 . 1 1 6 6 LYS H H 6 7.776 7.776 8.033 -0.257 25454 1348 1 4 . 1 1 7 7 ASP N N 7 119.190 119.190 119.069 0.121 25454 1349 1 4 . 1 1 7 7 ASP HA H 7 4.748 4.748 4.817 -0.069 25454 1350 1 4 . 1 1 7 7 ASP C C 7 176.254 176.254 175.479 0.775 25454 1351 1 4 . 1 1 7 7 ASP CA C 7 53.800 53.800 53.667 0.133 25454 1352 1 4 . 1 1 7 7 ASP CB C 7 41.560 41.560 40.934 0.626 25454 1353 1 4 . 1 1 7 7 ASP H H 7 7.744 7.744 7.527 0.217 25454 1354 1 4 . 1 1 8 8 MET N N 8 122.540 122.540 121.941 0.599 25454 1355 1 4 . 1 1 8 8 MET HA H 8 4.502 4.502 4.483 0.019 25454 1356 1 4 . 1 1 8 8 MET C C 8 176.932 176.932 175.960 0.972 25454 1357 1 4 . 1 1 8 8 MET CA C 8 56.390 56.390 56.704 -0.314 25454 1358 1 4 . 1 1 8 8 MET CB C 8 35.300 35.300 33.556 1.744 25454 1359 1 4 . 1 1 8 8 MET H H 8 7.925 7.925 7.366 0.559 25454 1360 1 4 . 1 1 9 9 THR N N 9 121.410 121.410 121.662 -0.252 25454 1361 1 4 . 1 1 9 9 THR HA H 9 4.794 4.794 4.393 0.401 25454 1362 1 4 . 1 1 9 9 THR C C 9 176.198 176.198 175.280 0.918 25454 1363 1 4 . 1 1 9 9 THR CA C 9 61.960 61.960 62.729 -0.769 25454 1364 1 4 . 1 1 9 9 THR CB C 9 72.200 72.200 70.302 1.898 25454 1365 1 4 . 1 1 9 9 THR H H 9 9.927 9.927 8.213 1.714 25454 1366 1 4 . 1 1 10 10 CYS N N 10 121.150 121.150 126.067 -4.917 25454 1367 1 4 . 1 1 10 10 CYS HA H 10 4.685 4.685 4.316 0.369 25454 1368 1 4 . 1 1 10 10 CYS C C 10 177.324 177.324 176.882 0.442 25454 1369 1 4 . 1 1 10 10 CYS CA C 10 56.970 56.970 62.314 -5.344 25454 1370 1 4 . 1 1 10 10 CYS CB C 10 32.440 32.440 25.796 6.644 25454 1371 1 4 . 1 1 10 10 CYS H H 10 9.765 9.765 8.735 1.030 25454 1372 1 4 . 1 1 11 11 GLN N N 11 121.360 121.360 119.770 1.590 25454 1373 1 4 . 1 1 11 11 GLN HA H 11 3.894 3.894 4.113 -0.219 25454 1374 1 4 . 1 1 11 11 GLN C C 11 176.902 176.902 177.516 -0.614 25454 1375 1 4 . 1 1 11 11 GLN CA C 11 58.680 58.680 58.435 0.245 25454 1376 1 4 . 1 1 11 11 GLN CB C 11 28.900 28.900 28.216 0.684 25454 1377 1 4 . 1 1 11 11 GLN H H 11 8.583 8.583 8.247 0.336 25454 1378 1 4 . 1 1 12 12 GLU N N 12 117.090 117.090 119.309 -2.219 25454 1379 1 4 . 1 1 12 12 GLU HA H 12 3.983 3.983 4.158 -0.175 25454 1380 1 4 . 1 1 12 12 GLU C C 12 179.763 179.763 178.878 0.885 25454 1381 1 4 . 1 1 12 12 GLU CA C 12 59.528 59.528 57.648 1.880 25454 1382 1 4 . 1 1 12 12 GLU CB C 12 31.830 31.830 29.902 1.928 25454 1383 1 4 . 1 1 12 12 GLU H H 12 7.867 7.867 7.695 0.172 25454 1384 1 4 . 1 1 13 13 PHE N N 13 119.630 119.630 122.346 -2.716 25454 1385 1 4 . 1 1 13 13 PHE HA H 13 4.269 4.269 4.247 0.022 25454 1386 1 4 . 1 1 13 13 PHE C C 13 176.432 176.432 177.929 -1.497 25454 1387 1 4 . 1 1 13 13 PHE CA C 13 61.150 61.150 61.370 -0.220 25454 1388 1 4 . 1 1 13 13 PHE CB C 13 39.520 39.520 39.592 -0.072 25454 1389 1 4 . 1 1 13 13 PHE H H 13 8.182 8.182 8.489 -0.307 25454 1390 1 4 . 1 1 14 14 ILE N N 14 114.180 114.180 113.963 0.217 25454 1391 1 4 . 1 1 14 14 ILE HA H 14 3.761 3.761 3.804 -0.043 25454 1392 1 4 . 1 1 14 14 ILE C C 14 177.089 177.089 175.819 1.270 25454 1393 1 4 . 1 1 14 14 ILE CA C 14 63.030 63.030 62.976 0.054 25454 1394 1 4 . 1 1 14 14 ILE CB C 14 36.740 36.740 37.076 -0.336 25454 1395 1 4 . 1 1 14 14 ILE H H 14 8.191 8.191 7.906 0.285 25454 1396 1 4 . 1 1 15 15 ASP N N 15 120.260 120.260 119.262 0.998 25454 1397 1 4 . 1 1 15 15 ASP HA H 15 4.716 4.716 4.667 0.049 25454 1398 1 4 . 1 1 15 15 ASP C C 15 174.697 174.697 176.551 -1.854 25454 1399 1 4 . 1 1 15 15 ASP CA C 15 54.080 54.080 53.647 0.433 25454 1400 1 4 . 1 1 15 15 ASP CB C 15 40.810 40.810 42.760 -1.950 25454 1401 1 4 . 1 1 15 15 ASP H H 15 7.478 7.478 7.596 -0.118 25454 1402 1 4 . 1 1 16 16 LEU N N 16 122.985 122.985 119.345 3.640 25454 1403 1 4 . 1 1 16 16 LEU HA H 16 4.067 4.067 4.304 -0.237 25454 1404 1 4 . 1 1 16 16 LEU C C 16 176.710 176.710 176.217 0.493 25454 1405 1 4 . 1 1 16 16 LEU CA C 16 55.028 55.028 55.089 -0.061 25454 1406 1 4 . 1 1 16 16 LEU CB C 16 43.370 43.370 42.577 0.793 25454 1407 1 4 . 1 1 16 16 LEU H H 16 7.226 7.226 7.282 -0.056 25454 1408 1 4 . 1 1 17 17 ASN N N 17 119.620 119.620 118.896 0.724 25454 1409 1 4 . 1 1 17 17 ASN HA H 17 4.634 4.634 4.789 -0.155 25454 1410 1 4 . 1 1 17 17 ASN CA C 17 52.048 52.048 51.219 0.829 25454 1411 1 4 . 1 1 17 17 ASN CB C 17 39.480 39.480 38.537 0.943 25454 1412 1 4 . 1 1 17 17 ASN H H 17 7.265 7.265 8.379 -1.114 25454 1413 1 4 . 1 1 18 18 PRO HA H 18 4.137 4.137 4.161 -0.024 25454 1414 1 4 . 1 1 18 18 PRO C C 18 179.247 179.247 177.780 1.467 25454 1415 1 4 . 1 1 18 18 PRO CA C 18 65.370 65.370 64.627 0.743 25454 1416 1 4 . 1 1 18 18 PRO CB C 18 32.610 32.610 31.854 0.756 25454 1417 1 4 . 1 1 19 19 LYS N N 19 116.450 116.450 119.149 -2.699 25454 1418 1 4 . 1 1 19 19 LYS HA H 19 3.856 3.856 4.017 -0.161 25454 1419 1 4 . 1 1 19 19 LYS C C 19 176.995 176.995 178.911 -1.916 25454 1420 1 4 . 1 1 19 19 LYS CA C 19 59.080 59.080 59.677 -0.597 25454 1421 1 4 . 1 1 19 19 LYS CB C 19 34.940 34.940 32.008 2.932 25454 1422 1 4 . 1 1 19 19 LYS H H 19 8.445 8.445 8.838 -0.393 25454 1423 1 4 . 1 1 20 20 ALA N N 20 116.170 116.170 121.631 -5.461 25454 1424 1 4 . 1 1 20 20 ALA HA H 20 4.255 4.255 4.363 -0.108 25454 1425 1 4 . 1 1 20 20 ALA C C 20 177.511 177.511 179.600 -2.089 25454 1426 1 4 . 1 1 20 20 ALA CA C 20 51.640 51.640 54.086 -2.446 25454 1427 1 4 . 1 1 20 20 ALA CB C 20 21.660 21.660 17.944 3.716 25454 1428 1 4 . 1 1 20 20 ALA H H 20 8.400 8.400 7.808 0.592 25454 1429 1 4 . 1 1 21 21 MET N N 21 117.850 117.850 118.522 -0.672 25454 1430 1 4 . 1 1 21 21 MET HA H 21 3.645 3.645 4.014 -0.369 25454 1431 1 4 . 1 1 21 21 MET C C 21 177.511 177.511 178.213 -0.702 25454 1432 1 4 . 1 1 21 21 MET CA C 21 61.418 61.418 59.911 1.507 25454 1433 1 4 . 1 1 21 21 MET CB C 21 33.220 33.220 32.378 0.842 25454 1434 1 4 . 1 1 21 21 MET H H 21 7.206 7.206 8.263 -1.057 25454 1435 1 4 . 1 1 22 22 THR N N 22 114.690 114.690 115.878 -1.188 25454 1436 1 4 . 1 1 22 22 THR HA H 22 4.115 4.115 4.308 -0.193 25454 1437 1 4 . 1 1 22 22 THR CA C 22 69.550 69.550 68.728 0.822 25454 1438 1 4 . 1 1 22 22 THR CB C 22 65.700 65.700 66.988 -1.288 25454 1439 1 4 . 1 1 22 22 THR H H 22 8.695 8.695 7.756 0.939 25454 1440 1 4 . 1 1 23 23 PRO HA H 23 3.550 3.550 4.421 -0.871 25454 1441 1 4 . 1 1 23 23 PRO C C 23 178.637 178.637 178.977 -0.340 25454 1442 1 4 . 1 1 23 23 PRO CA C 23 65.770 65.770 66.008 -0.238 25454 1443 1 4 . 1 1 23 23 PRO CB C 23 31.182 31.182 31.256 -0.074 25454 1444 1 4 . 1 1 24 24 VAL N N 24 115.820 115.820 120.201 -4.381 25454 1445 1 4 . 1 1 24 24 VAL HA H 24 3.675 3.675 3.947 -0.272 25454 1446 1 4 . 1 1 24 24 VAL C C 24 177.464 177.464 178.325 -0.861 25454 1447 1 4 . 1 1 24 24 VAL CA C 24 67.490 67.490 66.863 0.627 25454 1448 1 4 . 1 1 24 24 VAL CB C 24 31.970 31.970 31.511 0.459 25454 1449 1 4 . 1 1 24 24 VAL H H 24 7.441 7.441 7.827 -0.386 25454 1450 1 4 . 1 1 25 25 ALA N N 25 122.670 122.670 121.778 0.892 25454 1451 1 4 . 1 1 25 25 ALA HA H 25 3.783 3.783 4.162 -0.379 25454 1452 1 4 . 1 1 25 25 ALA C C 25 178.497 178.497 179.474 -0.977 25454 1453 1 4 . 1 1 25 25 ALA CA C 25 55.620 55.620 54.864 0.756 25454 1454 1 4 . 1 1 25 25 ALA CB C 25 18.852 18.852 18.650 0.202 25454 1455 1 4 . 1 1 25 25 ALA H H 25 8.805 8.805 8.435 0.370 25454 1456 1 4 . 1 1 26 26 TRP N N 26 118.270 118.270 121.351 -3.081 25454 1457 1 4 . 1 1 26 26 TRP HA H 26 3.709 3.709 4.556 -0.847 25454 1458 1 4 . 1 1 26 26 TRP C C 26 178.309 178.309 177.395 0.914 25454 1459 1 4 . 1 1 26 26 TRP CA C 26 63.940 63.940 60.559 3.381 25454 1460 1 4 . 1 1 26 26 TRP CB C 26 29.740 29.740 29.993 -0.253 25454 1461 1 4 . 1 1 26 26 TRP H H 26 9.181 9.181 8.429 0.752 25454 1462 1 4 . 1 1 27 27 TRP N N 27 119.740 119.740 121.075 -1.335 25454 1463 1 4 . 1 1 27 27 TRP HA H 27 4.118 4.118 3.139 0.979 25454 1464 1 4 . 1 1 27 27 TRP C C 27 177.511 177.511 178.045 -0.534 25454 1465 1 4 . 1 1 27 27 TRP CA C 27 60.588 60.588 59.173 1.415 25454 1466 1 4 . 1 1 27 27 TRP CB C 27 30.021 30.021 29.354 0.667 25454 1467 1 4 . 1 1 27 27 TRP H H 27 8.527 8.527 8.866 -0.339 25454 1468 1 4 . 1 1 28 28 MET N N 28 119.130 119.130 117.969 1.161 25454 1469 1 4 . 1 1 28 28 MET HA H 28 3.618 3.618 3.165 0.453 25454 1470 1 4 . 1 1 28 28 MET C C 28 177.587 177.587 177.030 0.557 25454 1471 1 4 . 1 1 28 28 MET CA C 28 58.540 58.540 58.619 -0.079 25454 1472 1 4 . 1 1 28 28 MET CB C 28 29.392 29.392 31.899 -2.507 25454 1473 1 4 . 1 1 28 28 MET H H 28 7.756 7.756 7.951 -0.195 25454 1474 1 4 . 1 1 29 29 LEU N N 29 117.820 117.820 118.380 -0.560 25454 1475 1 4 . 1 1 29 29 LEU HA H 29 3.559 3.559 4.041 -0.482 25454 1476 1 4 . 1 1 29 29 LEU C C 29 179.417 179.417 177.773 1.644 25454 1477 1 4 . 1 1 29 29 LEU CA C 29 57.043 57.043 56.685 0.358 25454 1478 1 4 . 1 1 29 29 LEU CB C 29 42.676 42.676 42.120 0.556 25454 1479 1 4 . 1 1 29 29 LEU H H 29 7.838 7.838 7.496 0.342 25454 1480 1 4 . 1 1 30 30 HIS N N 30 113.790 113.790 115.161 -1.371 25454 1481 1 4 . 1 1 30 30 HIS HA H 30 4.059 4.059 4.534 -0.475 25454 1482 1 4 . 1 1 30 30 HIS C C 30 176.289 176.289 174.242 2.047 25454 1483 1 4 . 1 1 30 30 HIS CA C 30 56.030 56.030 55.357 0.673 25454 1484 1 4 . 1 1 30 30 HIS CB C 30 29.216 29.216 32.864 -3.648 25454 1485 1 4 . 1 1 30 30 HIS H H 30 7.757 7.757 7.951 -0.194 25454 1486 1 4 . 1 1 31 31 GLU N N 31 125.870 125.870 115.415 10.455 25454 1487 1 4 . 1 1 31 31 GLU HA H 31 4.450 4.450 3.796 0.654 25454 1488 1 4 . 1 1 31 31 GLU C C 31 176.775 176.775 175.345 1.430 25454 1489 1 4 . 1 1 31 31 GLU CA C 31 56.160 56.160 57.096 -0.936 25454 1490 1 4 . 1 1 31 31 GLU CB C 31 28.386 28.386 29.619 -1.233 25454 1491 1 4 . 1 1 31 31 GLU H H 31 8.916 8.916 7.900 1.016 25454 1492 1 4 . 1 1 32 32 GLU N N 32 116.185 116.185 117.826 -1.641 25454 1493 1 4 . 1 1 32 32 GLU HA H 32 3.563 3.563 4.544 -0.981 25454 1494 1 4 . 1 1 32 32 GLU C C 32 174.994 174.994 177.741 -2.747 25454 1495 1 4 . 1 1 32 32 GLU CA C 32 58.090 58.090 57.539 0.551 25454 1496 1 4 . 1 1 32 32 GLU CB C 32 26.783 26.783 29.537 -2.754 25454 1497 1 4 . 1 1 32 32 GLU H H 32 9.330 9.330 8.573 0.757 25454 1498 1 4 . 1 1 33 33 THR N N 33 110.202 110.202 113.355 -3.153 25454 1499 1 4 . 1 1 33 33 THR HA H 33 4.696 4.696 4.083 0.613 25454 1500 1 4 . 1 1 33 33 THR C C 33 173.529 173.529 174.250 -0.721 25454 1501 1 4 . 1 1 33 33 THR CA C 33 60.129 60.129 62.145 -2.016 25454 1502 1 4 . 1 1 33 33 THR CB C 33 71.864 71.864 67.740 4.123 25454 1503 1 4 . 1 1 33 33 THR H H 33 7.620 7.620 7.937 -0.317 25454 1504 1 4 . 1 1 34 34 VAL N N 34 121.967 121.967 119.564 2.403 25454 1505 1 4 . 1 1 34 34 VAL HA H 34 4.139 4.139 3.457 0.682 25454 1506 1 4 . 1 1 34 34 VAL C C 34 172.579 172.579 175.057 -2.478 25454 1507 1 4 . 1 1 34 34 VAL CA C 34 63.032 63.032 63.133 -0.101 25454 1508 1 4 . 1 1 34 34 VAL CB C 34 32.594 32.594 31.408 1.186 25454 1509 1 4 . 1 1 34 34 VAL H H 34 8.308 8.308 7.417 0.891 25454 1510 1 4 . 1 1 35 35 TYR N N 35 129.550 129.550 124.728 4.822 25454 1511 1 4 . 1 1 35 35 TYR HA H 35 4.562 4.562 4.274 0.288 25454 1512 1 4 . 1 1 35 35 TYR CA C 35 58.660 58.660 57.333 1.327 25454 1513 1 4 . 1 1 35 35 TYR CB C 35 39.520 39.520 38.563 0.957 25454 1514 1 4 . 1 1 35 35 TYR H H 35 8.610 8.610 8.282 0.328 25454 1515 1 4 . 1 1 36 36 LYS N N 36 129.360 129.360 120.075 9.285 25454 1516 1 4 . 1 1 36 36 LYS HA H 36 4.411 4.411 4.342 0.069 25454 1517 1 4 . 1 1 36 36 LYS CA C 36 55.626 55.626 56.341 -0.715 25454 1518 1 4 . 1 1 36 36 LYS CB C 36 32.790 32.790 32.950 -0.160 25454 1519 1 4 . 1 1 36 36 LYS H H 36 8.509 8.509 8.655 -0.146 25454 1520 1 4 . 1 1 37 37 GLY N N 37 109.150 109.150 105.801 3.349 25454 1521 1 4 . 1 1 37 37 GLY C C 37 174.428 174.428 174.483 -0.055 25454 1522 1 4 . 1 1 37 37 GLY CA C 37 46.427 46.427 45.291 1.135 25454 1523 1 4 . 1 1 37 37 GLY H H 37 6.819 6.819 8.047 -1.228 25454 1524 1 4 . 1 1 38 38 GLY N N 38 110.780 110.780 109.382 1.398 25454 1525 1 4 . 1 1 38 38 GLY C C 38 174.108 174.108 173.230 0.878 25454 1526 1 4 . 1 1 38 38 GLY CA C 38 44.972 44.972 44.540 0.432 25454 1527 1 4 . 1 1 38 38 GLY H H 38 8.365 8.365 8.076 0.289 25454 1528 1 4 . 1 1 39 39 ASP N N 39 120.800 120.800 116.088 4.712 25454 1529 1 4 . 1 1 39 39 ASP HA H 39 4.789 4.789 4.914 -0.125 25454 1530 1 4 . 1 1 39 39 ASP C C 39 177.820 177.820 177.150 0.670 25454 1531 1 4 . 1 1 39 39 ASP CA C 39 55.340 55.340 54.048 1.292 25454 1532 1 4 . 1 1 39 39 ASP CB C 39 41.150 41.150 40.913 0.237 25454 1533 1 4 . 1 1 39 39 ASP H H 39 8.476 8.476 8.390 0.086 25454 1534 1 4 . 1 1 40 40 THR N N 40 111.201 111.201 119.366 -8.165 25454 1535 1 4 . 1 1 40 40 THR HA H 40 3.753 3.753 4.475 -0.722 25454 1536 1 4 . 1 1 40 40 THR C C 40 175.526 175.526 175.559 -0.033 25454 1537 1 4 . 1 1 40 40 THR CA C 40 60.300 60.300 62.869 -2.569 25454 1538 1 4 . 1 1 40 40 THR CB C 40 71.278 71.278 66.792 4.486 25454 1539 1 4 . 1 1 40 40 THR H H 40 8.132 8.132 8.234 -0.102 25454 1540 1 4 . 1 1 41 41 VAL N N 41 125.014 125.014 117.546 7.468 25454 1541 1 4 . 1 1 41 41 VAL HA H 41 3.831 3.831 4.480 -0.649 25454 1542 1 4 . 1 1 41 41 VAL C C 41 174.100 174.100 175.891 -1.791 25454 1543 1 4 . 1 1 41 41 VAL CA C 41 63.988 63.988 63.540 0.448 25454 1544 1 4 . 1 1 41 41 VAL CB C 41 30.465 30.465 31.884 -1.419 25454 1545 1 4 . 1 1 41 41 VAL H H 41 8.278 8.278 8.120 0.158 25454 1546 1 4 . 1 1 42 42 THR N N 42 121.970 121.970 115.185 6.785 25454 1547 1 4 . 1 1 42 42 THR HA H 42 4.603 4.603 4.213 0.390 25454 1548 1 4 . 1 1 42 42 THR C C 42 172.978 172.978 174.767 -1.789 25454 1549 1 4 . 1 1 42 42 THR CA C 42 60.166 60.166 63.078 -2.912 25454 1550 1 4 . 1 1 42 42 THR CB C 42 70.588 70.588 69.814 0.774 25454 1551 1 4 . 1 1 42 42 THR H H 42 7.849 7.849 7.791 0.058 25454 1552 1 4 . 1 1 43 43 LEU N N 43 122.979 122.979 127.770 -4.791 25454 1553 1 4 . 1 1 43 43 LEU HA H 43 5.041 5.041 4.362 0.679 25454 1554 1 4 . 1 1 43 43 LEU CA C 43 55.072 55.072 54.279 0.793 25454 1555 1 4 . 1 1 43 43 LEU CB C 43 42.661 42.661 40.782 1.879 25454 1556 1 4 . 1 1 43 43 LEU H H 43 8.310 8.310 8.432 -0.122 25454 1557 1 4 . 1 1 44 44 ASN N N 44 124.579 124.579 123.477 1.102 25454 1558 1 4 . 1 1 44 44 ASN HA H 44 5.135 5.135 4.577 0.558 25454 1559 1 4 . 1 1 44 44 ASN C C 44 175.736 175.736 176.045 -0.309 25454 1560 1 4 . 1 1 44 44 ASN CA C 44 50.814 50.814 53.059 -2.245 25454 1561 1 4 . 1 1 44 44 ASN CB C 44 40.280 40.280 39.273 1.007 25454 1562 1 4 . 1 1 44 44 ASN H H 44 9.542 9.542 8.018 1.524 25454 1563 1 4 . 1 1 45 45 GLU N N 45 118.210 118.210 119.097 -0.887 25454 1564 1 4 . 1 1 45 45 GLU HA H 45 4.088 4.088 4.016 0.072 25454 1565 1 4 . 1 1 45 45 GLU C C 45 179.010 179.010 178.555 0.455 25454 1566 1 4 . 1 1 45 45 GLU CA C 45 60.349 60.349 59.614 0.735 25454 1567 1 4 . 1 1 45 45 GLU CB C 45 28.908 28.908 29.453 -0.545 25454 1568 1 4 . 1 1 45 45 GLU H H 45 8.752 8.752 8.852 -0.100 25454 1569 1 4 . 1 1 46 46 THR N N 46 116.430 116.430 117.012 -0.582 25454 1570 1 4 . 1 1 46 46 THR HA H 46 4.114 4.114 3.950 0.164 25454 1571 1 4 . 1 1 46 46 THR C C 46 176.994 176.994 176.105 0.889 25454 1572 1 4 . 1 1 46 46 THR CA C 46 66.260 66.260 67.069 -0.809 25454 1573 1 4 . 1 1 46 46 THR CB C 46 68.270 68.270 68.525 -0.255 25454 1574 1 4 . 1 1 46 46 THR H H 46 8.043 8.043 7.760 0.283 25454 1575 1 4 . 1 1 47 47 ASP N N 47 124.380 124.380 122.795 1.585 25454 1576 1 4 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.396 -0.052 25454 1577 1 4 . 1 1 47 47 ASP C C 47 178.914 178.914 178.609 0.305 25454 1578 1 4 . 1 1 47 47 ASP CA C 47 58.630 58.630 57.923 0.707 25454 1579 1 4 . 1 1 47 47 ASP CB C 47 42.350 42.350 40.855 1.495 25454 1580 1 4 . 1 1 47 47 ASP H H 47 8.475 8.475 8.287 0.188 25454 1581 1 4 . 1 1 48 48 LEU N N 48 116.889 116.889 119.040 -2.151 25454 1582 1 4 . 1 1 48 48 LEU HA H 48 4.118 4.118 4.115 0.003 25454 1583 1 4 . 1 1 48 48 LEU C C 48 175.839 175.839 179.041 -3.202 25454 1584 1 4 . 1 1 48 48 LEU CA C 48 57.432 57.432 57.778 -0.346 25454 1585 1 4 . 1 1 48 48 LEU CB C 48 41.430 41.430 41.881 -0.451 25454 1586 1 4 . 1 1 48 48 LEU H H 48 8.082 8.082 8.354 -0.272 25454 1587 1 4 . 1 1 49 49 THR N N 49 112.550 112.550 114.834 -2.284 25454 1588 1 4 . 1 1 49 49 THR HA H 49 4.310 4.310 4.203 0.107 25454 1589 1 4 . 1 1 49 49 THR C C 49 177.306 177.306 176.372 0.934 25454 1590 1 4 . 1 1 49 49 THR CA C 49 64.520 64.520 66.072 -1.552 25454 1591 1 4 . 1 1 49 49 THR CB C 49 69.525 69.525 68.781 0.744 25454 1592 1 4 . 1 1 49 49 THR H H 49 7.743 7.743 7.866 -0.123 25454 1593 1 4 . 1 1 50 50 GLN N N 50 121.570 121.570 120.750 0.820 25454 1594 1 4 . 1 1 50 50 GLN HA H 50 4.344 4.344 4.316 0.028 25454 1595 1 4 . 1 1 50 50 GLN C C 50 178.308 178.308 178.192 0.116 25454 1596 1 4 . 1 1 50 50 GLN CA C 50 58.630 58.630 57.353 1.277 25454 1597 1 4 . 1 1 50 50 GLN CB C 50 30.850 30.850 28.536 2.314 25454 1598 1 4 . 1 1 50 50 GLN H H 50 8.519 8.519 7.889 0.630 25454 1599 1 4 . 1 1 51 51 ILE N N 51 120.320 120.320 121.720 -1.400 25454 1600 1 4 . 1 1 51 51 ILE HA H 51 3.573 3.573 3.936 -0.363 25454 1601 1 4 . 1 1 51 51 ILE CA C 51 69.155 69.155 66.587 2.568 25454 1602 1 4 . 1 1 51 51 ILE CB C 51 35.659 35.659 35.414 0.245 25454 1603 1 4 . 1 1 51 51 ILE H H 51 8.663 8.663 8.893 -0.230 25454 1604 1 4 . 1 1 52 52 PRO HA H 52 4.301 4.301 4.350 -0.049 25454 1605 1 4 . 1 1 52 52 PRO C C 52 179.686 179.686 178.833 0.853 25454 1606 1 4 . 1 1 52 52 PRO CA C 52 66.190 66.190 65.780 0.410 25454 1607 1 4 . 1 1 52 52 PRO CB C 52 31.270 31.270 31.045 0.225 25454 1608 1 4 . 1 1 53 53 LYS N N 53 116.520 116.520 117.968 -1.448 25454 1609 1 4 . 1 1 53 53 LYS HA H 53 4.231 4.231 4.143 0.088 25454 1610 1 4 . 1 1 53 53 LYS C C 53 179.475 179.475 179.287 0.188 25454 1611 1 4 . 1 1 53 53 LYS CA C 53 59.017 59.017 58.372 0.645 25454 1612 1 4 . 1 1 53 53 LYS CB C 53 31.796 31.796 31.632 0.164 25454 1613 1 4 . 1 1 53 53 LYS H H 53 7.016 7.016 7.579 -0.563 25454 1614 1 4 . 1 1 54 54 VAL N N 54 125.220 125.220 116.407 8.813 25454 1615 1 4 . 1 1 54 54 VAL HA H 54 3.022 3.022 3.843 -0.821 25454 1616 1 4 . 1 1 54 54 VAL C C 54 177.692 177.692 177.682 0.010 25454 1617 1 4 . 1 1 54 54 VAL CA C 54 65.860 65.860 65.674 0.186 25454 1618 1 4 . 1 1 54 54 VAL CB C 54 30.623 30.623 31.261 -0.638 25454 1619 1 4 . 1 1 54 54 VAL H H 54 8.068 8.068 8.203 -0.135 25454 1620 1 4 . 1 1 55 55 ILE N N 55 119.943 119.943 121.922 -1.979 25454 1621 1 4 . 1 1 55 55 ILE HA H 55 3.641 3.641 3.975 -0.334 25454 1622 1 4 . 1 1 55 55 ILE C C 55 177.515 177.515 178.031 -0.516 25454 1623 1 4 . 1 1 55 55 ILE CA C 55 66.896 66.896 65.925 0.971 25454 1624 1 4 . 1 1 55 55 ILE CB C 55 38.500 38.500 37.755 0.745 25454 1625 1 4 . 1 1 55 55 ILE H H 55 7.589 7.589 7.296 0.293 25454 1626 1 4 . 1 1 56 56 GLU N N 56 118.310 118.310 120.445 -2.135 25454 1627 1 4 . 1 1 56 56 GLU HA H 56 4.010 4.010 4.003 0.007 25454 1628 1 4 . 1 1 56 56 GLU C C 56 178.518 178.518 179.188 -0.670 25454 1629 1 4 . 1 1 56 56 GLU CA C 56 59.603 59.603 59.809 -0.205 25454 1630 1 4 . 1 1 56 56 GLU CB C 56 29.776 29.776 29.605 0.171 25454 1631 1 4 . 1 1 56 56 GLU H H 56 7.794 7.794 8.247 -0.453 25454 1632 1 4 . 1 1 57 57 TYR N N 57 120.510 120.510 119.944 0.566 25454 1633 1 4 . 1 1 57 57 TYR HA H 57 4.239 4.239 4.277 -0.038 25454 1634 1 4 . 1 1 57 57 TYR C C 57 178.919 178.919 178.045 0.874 25454 1635 1 4 . 1 1 57 57 TYR CA C 57 61.600 61.600 59.590 2.010 25454 1636 1 4 . 1 1 57 57 TYR CB C 57 39.060 39.060 37.804 1.256 25454 1637 1 4 . 1 1 57 57 TYR H H 57 8.495 8.495 8.576 -0.081 25454 1638 1 4 . 1 1 58 58 CYS N N 58 117.760 117.760 117.981 -0.221 25454 1639 1 4 . 1 1 58 58 CYS HA H 58 4.685 4.685 4.340 0.345 25454 1640 1 4 . 1 1 58 58 CYS C C 58 177.217 177.217 176.595 0.622 25454 1641 1 4 . 1 1 58 58 CYS CA C 58 52.020 52.020 61.863 -9.843 25454 1642 1 4 . 1 1 58 58 CYS CB C 58 31.667 31.667 26.959 4.708 25454 1643 1 4 . 1 1 58 58 CYS H H 58 8.672 8.672 7.944 0.728 25454 1644 1 4 . 1 1 59 59 LYS N N 59 120.550 120.550 120.324 0.226 25454 1645 1 4 . 1 1 59 59 LYS HA H 59 4.008 4.008 4.159 -0.151 25454 1646 1 4 . 1 1 59 59 LYS C C 59 179.247 179.247 178.439 0.808 25454 1647 1 4 . 1 1 59 59 LYS CA C 59 59.790 59.790 58.755 1.035 25454 1648 1 4 . 1 1 59 59 LYS CB C 59 32.800 32.800 32.227 0.573 25454 1649 1 4 . 1 1 59 59 LYS H H 59 8.481 8.481 8.264 0.217 25454 1650 1 4 . 1 1 60 60 LYS N N 60 116.830 116.830 118.033 -1.203 25454 1651 1 4 . 1 1 60 60 LYS HA H 60 4.166 4.166 4.297 -0.131 25454 1652 1 4 . 1 1 60 60 LYS C C 60 176.432 176.432 177.382 -0.950 25454 1653 1 4 . 1 1 60 60 LYS CA C 60 57.260 57.260 57.795 -0.535 25454 1654 1 4 . 1 1 60 60 LYS CB C 60 33.760 33.760 33.448 0.312 25454 1655 1 4 . 1 1 60 60 LYS H H 60 7.455 7.455 8.328 -0.873 25454 1656 1 4 . 1 1 61 61 ASN N N 61 117.140 117.140 119.436 -2.296 25454 1657 1 4 . 1 1 61 61 ASN HA H 61 4.686 4.686 5.414 -0.728 25454 1658 1 4 . 1 1 61 61 ASN CA C 61 51.300 51.300 50.957 0.343 25454 1659 1 4 . 1 1 61 61 ASN CB C 61 40.208 40.208 40.204 0.004 25454 1660 1 4 . 1 1 61 61 ASN H H 61 7.368 7.368 8.241 -0.873 25454 1661 1 4 . 1 1 62 62 PRO HA H 62 4.227 4.227 4.545 -0.318 25454 1662 1 4 . 1 1 62 62 PRO C C 62 177.511 177.511 177.856 -0.345 25454 1663 1 4 . 1 1 62 62 PRO CA C 62 65.430 65.430 64.918 0.512 25454 1664 1 4 . 1 1 62 62 PRO CB C 62 31.800 31.800 32.261 -0.461 25454 1665 1 4 . 1 1 63 63 GLN N N 63 114.045 114.045 114.816 -0.771 25454 1666 1 4 . 1 1 63 63 GLN HA H 63 4.450 4.450 4.260 0.190 25454 1667 1 4 . 1 1 63 63 GLN C C 63 177.766 177.766 176.426 1.340 25454 1668 1 4 . 1 1 63 63 GLN CA C 63 56.200 56.200 56.798 -0.598 25454 1669 1 4 . 1 1 63 63 GLN CB C 63 28.200 28.200 28.265 -0.065 25454 1670 1 4 . 1 1 63 63 GLN H H 63 8.578 8.578 8.337 0.241 25454 1671 1 4 . 1 1 64 64 LYS N N 64 119.960 119.960 120.475 -0.515 25454 1672 1 4 . 1 1 64 64 LYS HA H 64 4.452 4.452 4.130 0.322 25454 1673 1 4 . 1 1 64 64 LYS C C 64 176.151 176.151 175.509 0.642 25454 1674 1 4 . 1 1 64 64 LYS CA C 64 55.660 55.660 55.513 0.147 25454 1675 1 4 . 1 1 64 64 LYS CB C 64 33.500 33.500 33.025 0.475 25454 1676 1 4 . 1 1 64 64 LYS H H 64 7.628 7.628 7.573 0.055 25454 1677 1 4 . 1 1 65 65 ASN N N 65 120.139 120.139 118.745 1.394 25454 1678 1 4 . 1 1 65 65 ASN HA H 65 4.807 4.807 4.617 0.190 25454 1679 1 4 . 1 1 65 65 ASN CA C 65 54.070 54.070 52.860 1.210 25454 1680 1 4 . 1 1 65 65 ASN CB C 65 38.070 38.070 39.537 -1.467 25454 1681 1 4 . 1 1 65 65 ASN H H 65 8.936 8.936 8.452 0.484 25454 1682 1 4 . 1 1 66 66 LEU N N 66 129.960 129.960 129.222 0.738 25454 1683 1 4 . 1 1 66 66 LEU HA H 66 4.165 4.165 3.477 0.688 25454 1684 1 4 . 1 1 66 66 LEU C C 66 176.948 176.948 177.655 -0.707 25454 1685 1 4 . 1 1 66 66 LEU CA C 66 59.220 59.220 57.835 1.385 25454 1686 1 4 . 1 1 66 66 LEU CB C 66 42.830 42.830 42.038 0.792 25454 1687 1 4 . 1 1 66 66 LEU H H 66 8.939 8.939 8.712 0.227 25454 1688 1 4 . 1 1 67 67 TYR N N 67 115.770 115.770 115.726 0.044 25454 1689 1 4 . 1 1 67 67 TYR HA H 67 4.077 4.077 4.219 -0.142 25454 1690 1 4 . 1 1 67 67 TYR C C 67 178.731 178.731 178.044 0.687 25454 1691 1 4 . 1 1 67 67 TYR CA C 67 61.277 61.277 58.854 2.423 25454 1692 1 4 . 1 1 67 67 TYR CB C 67 36.768 36.768 37.521 -0.753 25454 1693 1 4 . 1 1 67 67 TYR H H 67 9.409 9.409 8.200 1.209 25454 1694 1 4 . 1 1 68 68 THR N N 68 112.470 112.470 116.606 -4.136 25454 1695 1 4 . 1 1 68 68 THR HA H 68 4.268 4.268 3.993 0.275 25454 1696 1 4 . 1 1 68 68 THR C C 68 176.104 176.104 176.805 -0.701 25454 1697 1 4 . 1 1 68 68 THR CA C 68 64.650 64.650 66.176 -1.526 25454 1698 1 4 . 1 1 68 68 THR CB C 68 70.268 70.268 68.290 1.978 25454 1699 1 4 . 1 1 68 68 THR H H 68 8.076 8.076 8.290 -0.214 25454 1700 1 4 . 1 1 69 69 PHE N N 69 123.660 123.660 120.421 3.239 25454 1701 1 4 . 1 1 69 69 PHE HA H 69 2.811 2.811 4.520 -1.709 25454 1702 1 4 . 1 1 69 69 PHE C C 69 176.290 176.290 176.541 -0.251 25454 1703 1 4 . 1 1 69 69 PHE CA C 69 61.510 61.510 57.108 4.402 25454 1704 1 4 . 1 1 69 69 PHE CB C 69 39.610 39.610 37.355 2.255 25454 1705 1 4 . 1 1 69 69 PHE H H 69 7.969 7.969 8.011 -0.042 25454 1706 1 4 . 1 1 70 70 LYS N N 70 113.530 113.530 119.481 -5.951 25454 1707 1 4 . 1 1 70 70 LYS HA H 70 3.757 3.757 4.181 -0.424 25454 1708 1 4 . 1 1 70 70 LYS C C 70 176.269 176.269 178.578 -2.309 25454 1709 1 4 . 1 1 70 70 LYS CA C 70 57.840 57.840 57.455 0.385 25454 1710 1 4 . 1 1 70 70 LYS CB C 70 32.520 32.520 32.500 0.020 25454 1711 1 4 . 1 1 70 70 LYS H H 70 6.957 6.957 7.758 -0.801 25454 1712 1 4 . 1 1 71 71 ASN N N 71 117.360 117.360 117.815 -0.455 25454 1713 1 4 . 1 1 71 71 ASN HA H 71 4.652 4.652 4.548 0.104 25454 1714 1 4 . 1 1 71 71 ASN C C 71 175.155 175.155 176.784 -1.629 25454 1715 1 4 . 1 1 71 71 ASN CA C 71 53.273 53.273 55.161 -1.888 25454 1716 1 4 . 1 1 71 71 ASN CB C 71 38.870 38.870 38.183 0.687 25454 1717 1 4 . 1 1 71 71 ASN H H 71 7.488 7.488 8.037 -0.549 25454 1718 1 4 . 1 1 72 72 GLN N N 72 119.610 119.610 116.620 2.990 25454 1719 1 4 . 1 1 72 72 GLN HA H 72 4.202 4.202 4.232 -0.030 25454 1720 1 4 . 1 1 72 72 GLN C C 72 179.467 179.467 175.833 3.634 25454 1721 1 4 . 1 1 72 72 GLN CA C 72 56.160 56.160 57.195 -1.035 25454 1722 1 4 . 1 1 72 72 GLN CB C 72 29.460 29.460 29.081 0.379 25454 1723 1 4 . 1 1 72 72 GLN H H 72 7.611 7.611 7.867 -0.256 25454 1724 1 4 . 1 1 73 73 ALA N N 73 125.130 125.130 123.256 1.874 25454 1725 1 4 . 1 1 73 73 ALA HA H 73 4.198 4.198 4.729 -0.531 25454 1726 1 4 . 1 1 73 73 ALA C C 73 177.907 177.907 177.120 0.787 25454 1727 1 4 . 1 1 73 73 ALA CA C 73 52.761 52.761 50.491 2.270 25454 1728 1 4 . 1 1 73 73 ALA CB C 73 19.028 19.028 19.075 -0.046 25454 1729 1 4 . 1 1 73 73 ALA H H 73 8.072 8.072 7.447 0.625 25454 1730 1 4 . 1 1 74 74 SER N N 74 115.100 115.100 120.890 -5.790 25454 1731 1 4 . 1 1 74 74 SER HA H 74 4.344 4.344 4.080 0.264 25454 1732 1 4 . 1 1 74 74 SER C C 74 174.562 174.562 174.544 0.018 25454 1733 1 4 . 1 1 74 74 SER CA C 74 58.640 58.640 60.576 -1.936 25454 1734 1 4 . 1 1 74 74 SER CB C 74 63.660 63.660 63.455 0.205 25454 1735 1 4 . 1 1 74 74 SER H H 74 8.114 8.114 8.727 -0.613 25454 1736 1 4 . 1 1 75 75 ASN N N 75 120.950 120.950 116.150 4.800 25454 1737 1 4 . 1 1 75 75 ASN HA H 75 4.698 4.698 4.383 0.315 25454 1738 1 4 . 1 1 75 75 ASN C C 75 174.790 174.790 175.229 -0.439 25454 1739 1 4 . 1 1 75 75 ASN CA C 75 53.340 53.340 54.042 -0.702 25454 1740 1 4 . 1 1 75 75 ASN CB C 75 38.980 38.980 38.796 0.184 25454 1741 1 4 . 1 1 75 75 ASN H H 75 8.283 8.283 7.995 0.288 25454 1742 1 4 . 1 1 76 76 ASP N N 76 120.550 120.550 120.178 0.372 25454 1743 1 4 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.630 -0.027 25454 1744 1 4 . 1 1 76 76 ASP C C 76 175.588 175.588 176.184 -0.596 25454 1745 1 4 . 1 1 76 76 ASP CA C 76 53.940 53.940 53.835 0.105 25454 1746 1 4 . 1 1 76 76 ASP CB C 76 40.510 40.510 39.440 1.070 25454 1747 1 4 . 1 1 76 76 ASP H H 76 8.201 8.201 8.536 -0.335 25454 1748 1 4 . 1 1 77 77 LEU N N 77 123.780 123.780 119.820 3.960 25454 1749 1 4 . 1 1 77 77 LEU HA H 77 4.600 4.600 4.218 0.382 25454 1750 1 4 . 1 1 77 77 LEU CA C 77 52.980 52.980 57.371 -4.391 25454 1751 1 4 . 1 1 77 77 LEU CB C 77 41.850 41.850 40.546 1.304 25454 1752 1 4 . 1 1 77 77 LEU H H 77 8.021 8.021 7.616 0.405 25454 1753 1 4 . 1 1 78 78 PRO HA H 78 4.417 4.417 4.528 -0.111 25454 1754 1 4 . 1 1 78 78 PRO C C 78 176.058 176.058 175.620 0.438 25454 1755 1 4 . 1 1 78 78 PRO CA C 78 63.260 63.260 63.027 0.233 25454 1756 1 4 . 1 1 78 78 PRO CB C 78 31.956 31.956 32.137 -0.181 25454 1757 1 5 . 1 1 2 2 ASN N N 2 118.440 118.440 117.957 0.483 25454 1758 1 5 . 1 1 2 2 ASN HA H 2 4.660 4.660 4.657 0.003 25454 1759 1 5 . 1 1 2 2 ASN C C 2 174.884 174.884 175.409 -0.525 25454 1760 1 5 . 1 1 2 2 ASN CA C 2 53.730 53.730 53.293 0.437 25454 1761 1 5 . 1 1 2 2 ASN CB C 2 38.500 38.500 38.485 0.015 25454 1762 1 5 . 1 1 2 2 ASN H H 2 8.869 8.869 8.353 0.516 25454 1763 1 5 . 1 1 3 3 GLU N N 3 121.390 121.390 119.728 1.662 25454 1764 1 5 . 1 1 3 3 GLU HA H 3 4.416 4.416 4.164 0.252 25454 1765 1 5 . 1 1 3 3 GLU C C 3 175.916 175.916 175.822 0.094 25454 1766 1 5 . 1 1 3 3 GLU CA C 3 56.300 56.300 56.910 -0.610 25454 1767 1 5 . 1 1 3 3 GLU CB C 3 29.810 29.810 29.910 -0.100 25454 1768 1 5 . 1 1 3 3 GLU H H 3 8.560 8.560 8.509 0.051 25454 1769 1 5 . 1 1 4 4 SER N N 4 118.190 118.190 113.528 4.662 25454 1770 1 5 . 1 1 4 4 SER HA H 4 4.716 4.716 4.256 0.460 25454 1771 1 5 . 1 1 4 4 SER C C 4 175.686 175.686 175.209 0.477 25454 1772 1 5 . 1 1 4 4 SER CA C 4 57.890 57.890 58.126 -0.236 25454 1773 1 5 . 1 1 4 4 SER CB C 4 65.080 65.080 62.342 2.738 25454 1774 1 5 . 1 1 4 4 SER H H 4 8.802 8.802 8.151 0.651 25454 1775 1 5 . 1 1 5 5 ALA N N 5 128.990 128.990 127.612 1.378 25454 1776 1 5 . 1 1 5 5 ALA HA H 5 4.142 4.142 4.052 0.090 25454 1777 1 5 . 1 1 5 5 ALA C C 5 179.112 179.112 178.973 0.139 25454 1778 1 5 . 1 1 5 5 ALA CA C 5 55.880 55.880 54.595 1.285 25454 1779 1 5 . 1 1 5 5 ALA CB C 5 18.110 18.110 18.888 -0.778 25454 1780 1 5 . 1 1 5 5 ALA H H 5 8.992 8.992 8.685 0.307 25454 1781 1 5 . 1 1 6 6 LYS N N 6 114.810 114.810 114.751 0.059 25454 1782 1 5 . 1 1 6 6 LYS HA H 6 3.221 3.221 2.585 0.636 25454 1783 1 5 . 1 1 6 6 LYS C C 6 177.448 177.448 176.297 1.151 25454 1784 1 5 . 1 1 6 6 LYS CA C 6 57.740 57.740 57.901 -0.161 25454 1785 1 5 . 1 1 6 6 LYS CB C 6 31.830 31.830 31.640 0.190 25454 1786 1 5 . 1 1 6 6 LYS H H 6 7.776 7.776 7.991 -0.215 25454 1787 1 5 . 1 1 7 7 ASP N N 7 119.190 119.190 115.720 3.470 25454 1788 1 5 . 1 1 7 7 ASP HA H 7 4.748 4.748 4.827 -0.079 25454 1789 1 5 . 1 1 7 7 ASP C C 7 176.254 176.254 175.400 0.854 25454 1790 1 5 . 1 1 7 7 ASP CA C 7 53.800 53.800 52.754 1.046 25454 1791 1 5 . 1 1 7 7 ASP CB C 7 41.560 41.560 41.817 -0.257 25454 1792 1 5 . 1 1 7 7 ASP H H 7 7.744 7.744 7.593 0.151 25454 1793 1 5 . 1 1 8 8 MET N N 8 122.540 122.540 121.351 1.189 25454 1794 1 5 . 1 1 8 8 MET HA H 8 4.502 4.502 4.424 0.078 25454 1795 1 5 . 1 1 8 8 MET C C 8 176.932 176.932 175.819 1.113 25454 1796 1 5 . 1 1 8 8 MET CA C 8 56.390 56.390 56.687 -0.297 25454 1797 1 5 . 1 1 8 8 MET CB C 8 35.300 35.300 33.291 2.009 25454 1798 1 5 . 1 1 8 8 MET H H 8 7.925 7.925 7.418 0.507 25454 1799 1 5 . 1 1 9 9 THR N N 9 121.410 121.410 121.519 -0.109 25454 1800 1 5 . 1 1 9 9 THR HA H 9 4.794 4.794 4.522 0.272 25454 1801 1 5 . 1 1 9 9 THR C C 9 176.198 176.198 175.454 0.744 25454 1802 1 5 . 1 1 9 9 THR CA C 9 61.960 61.960 62.716 -0.756 25454 1803 1 5 . 1 1 9 9 THR CB C 9 72.200 72.200 70.341 1.859 25454 1804 1 5 . 1 1 9 9 THR H H 9 9.927 9.927 8.212 1.715 25454 1805 1 5 . 1 1 10 10 CYS N N 10 121.150 121.150 126.127 -4.977 25454 1806 1 5 . 1 1 10 10 CYS HA H 10 4.685 4.685 4.321 0.364 25454 1807 1 5 . 1 1 10 10 CYS C C 10 177.324 177.324 176.955 0.369 25454 1808 1 5 . 1 1 10 10 CYS CA C 10 56.970 56.970 62.410 -5.440 25454 1809 1 5 . 1 1 10 10 CYS CB C 10 32.440 32.440 25.880 6.561 25454 1810 1 5 . 1 1 10 10 CYS H H 10 9.765 9.765 8.884 0.881 25454 1811 1 5 . 1 1 11 11 GLN N N 11 121.360 121.360 119.680 1.680 25454 1812 1 5 . 1 1 11 11 GLN HA H 11 3.894 3.894 4.143 -0.249 25454 1813 1 5 . 1 1 11 11 GLN C C 11 176.902 176.902 177.329 -0.427 25454 1814 1 5 . 1 1 11 11 GLN CA C 11 58.680 58.680 58.524 0.156 25454 1815 1 5 . 1 1 11 11 GLN CB C 11 28.900 28.900 28.339 0.561 25454 1816 1 5 . 1 1 11 11 GLN H H 11 8.583 8.583 8.245 0.338 25454 1817 1 5 . 1 1 12 12 GLU N N 12 117.090 117.090 119.523 -2.433 25454 1818 1 5 . 1 1 12 12 GLU HA H 12 3.983 3.983 4.148 -0.165 25454 1819 1 5 . 1 1 12 12 GLU C C 12 179.763 179.763 178.940 0.823 25454 1820 1 5 . 1 1 12 12 GLU CA C 12 59.528 59.528 57.844 1.684 25454 1821 1 5 . 1 1 12 12 GLU CB C 12 31.830 31.830 29.860 1.970 25454 1822 1 5 . 1 1 12 12 GLU H H 12 7.867 7.867 7.715 0.152 25454 1823 1 5 . 1 1 13 13 PHE N N 13 119.630 119.630 122.274 -2.644 25454 1824 1 5 . 1 1 13 13 PHE HA H 13 4.269 4.269 4.251 0.018 25454 1825 1 5 . 1 1 13 13 PHE C C 13 176.432 176.432 178.018 -1.586 25454 1826 1 5 . 1 1 13 13 PHE CA C 13 61.150 61.150 61.348 -0.198 25454 1827 1 5 . 1 1 13 13 PHE CB C 13 39.520 39.520 39.613 -0.093 25454 1828 1 5 . 1 1 13 13 PHE H H 13 8.182 8.182 8.632 -0.450 25454 1829 1 5 . 1 1 14 14 ILE N N 14 114.180 114.180 114.010 0.170 25454 1830 1 5 . 1 1 14 14 ILE HA H 14 3.761 3.761 3.796 -0.035 25454 1831 1 5 . 1 1 14 14 ILE C C 14 177.089 177.089 175.974 1.115 25454 1832 1 5 . 1 1 14 14 ILE CA C 14 63.030 63.030 63.265 -0.235 25454 1833 1 5 . 1 1 14 14 ILE CB C 14 36.740 36.740 37.233 -0.493 25454 1834 1 5 . 1 1 14 14 ILE H H 14 8.191 8.191 8.110 0.081 25454 1835 1 5 . 1 1 15 15 ASP N N 15 120.260 120.260 119.401 0.859 25454 1836 1 5 . 1 1 15 15 ASP HA H 15 4.716 4.716 4.702 0.014 25454 1837 1 5 . 1 1 15 15 ASP C C 15 174.697 174.697 176.334 -1.637 25454 1838 1 5 . 1 1 15 15 ASP CA C 15 54.080 54.080 53.870 0.210 25454 1839 1 5 . 1 1 15 15 ASP CB C 15 40.810 40.810 42.368 -1.558 25454 1840 1 5 . 1 1 15 15 ASP H H 15 7.478 7.478 7.709 -0.231 25454 1841 1 5 . 1 1 16 16 LEU N N 16 122.985 122.985 119.440 3.545 25454 1842 1 5 . 1 1 16 16 LEU HA H 16 4.067 4.067 4.324 -0.257 25454 1843 1 5 . 1 1 16 16 LEU C C 16 176.710 176.710 176.153 0.557 25454 1844 1 5 . 1 1 16 16 LEU CA C 16 55.028 55.028 55.107 -0.079 25454 1845 1 5 . 1 1 16 16 LEU CB C 16 43.370 43.370 42.664 0.706 25454 1846 1 5 . 1 1 16 16 LEU H H 16 7.226 7.226 7.373 -0.147 25454 1847 1 5 . 1 1 17 17 ASN N N 17 119.620 119.620 119.875 -0.255 25454 1848 1 5 . 1 1 17 17 ASN HA H 17 4.634 4.634 4.796 -0.162 25454 1849 1 5 . 1 1 17 17 ASN CA C 17 52.048 52.048 51.129 0.919 25454 1850 1 5 . 1 1 17 17 ASN CB C 17 39.480 39.480 38.457 1.023 25454 1851 1 5 . 1 1 17 17 ASN H H 17 7.265 7.265 8.379 -1.114 25454 1852 1 5 . 1 1 18 18 PRO HA H 18 4.137 4.137 4.036 0.101 25454 1853 1 5 . 1 1 18 18 PRO C C 18 179.247 179.247 178.348 0.899 25454 1854 1 5 . 1 1 18 18 PRO CA C 18 65.370 65.370 64.949 0.421 25454 1855 1 5 . 1 1 18 18 PRO CB C 18 32.610 32.610 31.943 0.667 25454 1856 1 5 . 1 1 19 19 LYS N N 19 116.450 116.450 118.392 -1.942 25454 1857 1 5 . 1 1 19 19 LYS HA H 19 3.856 3.856 3.930 -0.074 25454 1858 1 5 . 1 1 19 19 LYS C C 19 176.995 176.995 179.086 -2.091 25454 1859 1 5 . 1 1 19 19 LYS CA C 19 59.080 59.080 59.735 -0.655 25454 1860 1 5 . 1 1 19 19 LYS CB C 19 34.940 34.940 31.949 2.991 25454 1861 1 5 . 1 1 19 19 LYS H H 19 8.445 8.445 8.674 -0.229 25454 1862 1 5 . 1 1 20 20 ALA N N 20 116.170 116.170 121.045 -4.875 25454 1863 1 5 . 1 1 20 20 ALA HA H 20 4.255 4.255 4.326 -0.071 25454 1864 1 5 . 1 1 20 20 ALA C C 20 177.511 177.511 179.239 -1.728 25454 1865 1 5 . 1 1 20 20 ALA CA C 20 51.640 51.640 53.736 -2.096 25454 1866 1 5 . 1 1 20 20 ALA CB C 20 21.660 21.660 18.084 3.576 25454 1867 1 5 . 1 1 20 20 ALA H H 20 8.400 8.400 7.769 0.631 25454 1868 1 5 . 1 1 21 21 MET N N 21 117.850 117.850 119.747 -1.897 25454 1869 1 5 . 1 1 21 21 MET HA H 21 3.645 3.645 4.044 -0.399 25454 1870 1 5 . 1 1 21 21 MET C C 21 177.511 177.511 177.525 -0.014 25454 1871 1 5 . 1 1 21 21 MET CA C 21 61.418 61.418 59.747 1.671 25454 1872 1 5 . 1 1 21 21 MET CB C 21 33.220 33.220 32.667 0.553 25454 1873 1 5 . 1 1 21 21 MET H H 21 7.206 7.206 8.381 -1.175 25454 1874 1 5 . 1 1 22 22 THR N N 22 114.690 114.690 115.884 -1.194 25454 1875 1 5 . 1 1 22 22 THR HA H 22 4.115 4.115 4.208 -0.093 25454 1876 1 5 . 1 1 22 22 THR CA C 22 69.550 69.550 68.751 0.799 25454 1877 1 5 . 1 1 22 22 THR CB C 22 65.700 65.700 66.433 -0.734 25454 1878 1 5 . 1 1 22 22 THR H H 22 8.695 8.695 7.862 0.833 25454 1879 1 5 . 1 1 23 23 PRO HA H 23 3.550 3.550 4.213 -0.663 25454 1880 1 5 . 1 1 23 23 PRO C C 23 178.637 178.637 178.469 0.168 25454 1881 1 5 . 1 1 23 23 PRO CA C 23 65.770 65.770 65.592 0.178 25454 1882 1 5 . 1 1 23 23 PRO CB C 23 31.182 31.182 31.159 0.023 25454 1883 1 5 . 1 1 24 24 VAL N N 24 115.820 115.820 119.197 -3.377 25454 1884 1 5 . 1 1 24 24 VAL HA H 24 3.675 3.675 3.967 -0.292 25454 1885 1 5 . 1 1 24 24 VAL C C 24 177.464 177.464 177.409 0.055 25454 1886 1 5 . 1 1 24 24 VAL CA C 24 67.490 67.490 65.147 2.343 25454 1887 1 5 . 1 1 24 24 VAL CB C 24 31.970 31.970 31.804 0.166 25454 1888 1 5 . 1 1 24 24 VAL H H 24 7.441 7.441 7.478 -0.037 25454 1889 1 5 . 1 1 25 25 ALA N N 25 122.670 122.670 121.179 1.491 25454 1890 1 5 . 1 1 25 25 ALA HA H 25 3.783 3.783 4.243 -0.460 25454 1891 1 5 . 1 1 25 25 ALA C C 25 178.497 178.497 178.494 0.003 25454 1892 1 5 . 1 1 25 25 ALA CA C 25 55.620 55.620 54.845 0.775 25454 1893 1 5 . 1 1 25 25 ALA CB C 25 18.852 18.852 18.423 0.429 25454 1894 1 5 . 1 1 25 25 ALA H H 25 8.805 8.805 8.478 0.327 25454 1895 1 5 . 1 1 26 26 TRP N N 26 118.270 118.270 119.939 -1.669 25454 1896 1 5 . 1 1 26 26 TRP HA H 26 3.709 3.709 4.675 -0.966 25454 1897 1 5 . 1 1 26 26 TRP C C 26 178.309 178.309 177.126 1.183 25454 1898 1 5 . 1 1 26 26 TRP CA C 26 63.940 63.940 59.054 4.886 25454 1899 1 5 . 1 1 26 26 TRP CB C 26 29.740 29.740 31.225 -1.485 25454 1900 1 5 . 1 1 26 26 TRP H H 26 9.181 9.181 7.589 1.592 25454 1901 1 5 . 1 1 27 27 TRP N N 27 119.740 119.740 122.222 -2.482 25454 1902 1 5 . 1 1 27 27 TRP HA H 27 4.118 4.118 4.333 -0.215 25454 1903 1 5 . 1 1 27 27 TRP C C 27 177.511 177.511 177.224 0.287 25454 1904 1 5 . 1 1 27 27 TRP CA C 27 60.588 60.588 59.705 0.883 25454 1905 1 5 . 1 1 27 27 TRP CB C 27 30.021 30.021 30.660 -0.638 25454 1906 1 5 . 1 1 27 27 TRP H H 27 8.527 8.527 9.113 -0.586 25454 1907 1 5 . 1 1 28 28 MET N N 28 119.130 119.130 118.623 0.507 25454 1908 1 5 . 1 1 28 28 MET HA H 28 3.618 3.618 3.566 0.052 25454 1909 1 5 . 1 1 28 28 MET C C 28 177.587 177.587 178.439 -0.852 25454 1910 1 5 . 1 1 28 28 MET CA C 28 58.540 58.540 57.960 0.580 25454 1911 1 5 . 1 1 28 28 MET CB C 28 29.392 29.392 31.273 -1.881 25454 1912 1 5 . 1 1 28 28 MET H H 28 7.756 7.756 8.106 -0.350 25454 1913 1 5 . 1 1 29 29 LEU N N 29 117.820 117.820 118.952 -1.132 25454 1914 1 5 . 1 1 29 29 LEU HA H 29 3.559 3.559 3.840 -0.281 25454 1915 1 5 . 1 1 29 29 LEU C C 29 179.417 179.417 177.901 1.516 25454 1916 1 5 . 1 1 29 29 LEU CA C 29 57.043 57.043 57.062 -0.020 25454 1917 1 5 . 1 1 29 29 LEU CB C 29 42.676 42.676 41.327 1.349 25454 1918 1 5 . 1 1 29 29 LEU H H 29 7.838 7.838 8.017 -0.179 25454 1919 1 5 . 1 1 30 30 HIS N N 30 113.790 113.790 112.768 1.022 25454 1920 1 5 . 1 1 30 30 HIS HA H 30 4.059 4.059 4.519 -0.460 25454 1921 1 5 . 1 1 30 30 HIS C C 30 176.289 176.289 174.893 1.396 25454 1922 1 5 . 1 1 30 30 HIS CA C 30 56.030 56.030 55.302 0.728 25454 1923 1 5 . 1 1 30 30 HIS CB C 30 29.216 29.216 30.409 -1.193 25454 1924 1 5 . 1 1 30 30 HIS H H 30 7.757 7.757 7.468 0.289 25454 1925 1 5 . 1 1 31 31 GLU N N 31 125.870 125.870 117.711 8.159 25454 1926 1 5 . 1 1 31 31 GLU HA H 31 4.450 4.450 3.967 0.483 25454 1927 1 5 . 1 1 31 31 GLU C C 31 176.775 176.775 177.067 -0.292 25454 1928 1 5 . 1 1 31 31 GLU CA C 31 56.160 56.160 57.264 -1.104 25454 1929 1 5 . 1 1 31 31 GLU CB C 31 28.386 28.386 29.872 -1.486 25454 1930 1 5 . 1 1 31 31 GLU H H 31 8.916 8.916 7.210 1.706 25454 1931 1 5 . 1 1 32 32 GLU N N 32 116.185 116.185 118.950 -2.765 25454 1932 1 5 . 1 1 32 32 GLU HA H 32 3.563 3.563 4.118 -0.555 25454 1933 1 5 . 1 1 32 32 GLU C C 32 174.994 174.994 175.991 -0.997 25454 1934 1 5 . 1 1 32 32 GLU CA C 32 58.090 58.090 56.203 1.887 25454 1935 1 5 . 1 1 32 32 GLU CB C 32 26.783 26.783 28.153 -1.370 25454 1936 1 5 . 1 1 32 32 GLU H H 32 9.330 9.330 8.349 0.981 25454 1937 1 5 . 1 1 33 33 THR N N 33 110.202 110.202 114.693 -4.491 25454 1938 1 5 . 1 1 33 33 THR HA H 33 4.696 4.696 4.203 0.493 25454 1939 1 5 . 1 1 33 33 THR C C 33 173.529 173.529 175.429 -1.900 25454 1940 1 5 . 1 1 33 33 THR CA C 33 60.129 60.129 62.336 -2.207 25454 1941 1 5 . 1 1 33 33 THR CB C 33 71.864 71.864 69.723 2.141 25454 1942 1 5 . 1 1 33 33 THR H H 33 7.620 7.620 7.826 -0.206 25454 1943 1 5 . 1 1 34 34 VAL N N 34 121.967 121.967 128.155 -6.188 25454 1944 1 5 . 1 1 34 34 VAL HA H 34 4.139 4.139 4.231 -0.092 25454 1945 1 5 . 1 1 34 34 VAL C C 34 172.579 172.579 175.154 -2.575 25454 1946 1 5 . 1 1 34 34 VAL CA C 34 63.032 63.032 62.208 0.824 25454 1947 1 5 . 1 1 34 34 VAL CB C 34 32.594 32.594 32.156 0.438 25454 1948 1 5 . 1 1 34 34 VAL H H 34 8.308 8.308 8.407 -0.099 25454 1949 1 5 . 1 1 35 35 TYR N N 35 129.550 129.550 120.248 9.302 25454 1950 1 5 . 1 1 35 35 TYR HA H 35 4.562 4.562 4.050 0.512 25454 1951 1 5 . 1 1 35 35 TYR CA C 35 58.660 58.660 58.654 0.006 25454 1952 1 5 . 1 1 35 35 TYR CB C 35 39.520 39.520 36.536 2.983 25454 1953 1 5 . 1 1 35 35 TYR H H 35 8.610 8.610 8.209 0.401 25454 1954 1 5 . 1 1 36 36 LYS N N 36 129.360 129.360 117.104 12.256 25454 1955 1 5 . 1 1 36 36 LYS HA H 36 4.411 4.411 3.869 0.542 25454 1956 1 5 . 1 1 36 36 LYS CA C 36 55.626 55.626 57.007 -1.381 25454 1957 1 5 . 1 1 36 36 LYS CB C 36 32.790 32.790 29.452 3.338 25454 1958 1 5 . 1 1 36 36 LYS H H 36 8.509 8.509 8.887 -0.378 25454 1959 1 5 . 1 1 37 37 GLY N N 37 109.150 109.150 103.769 5.381 25454 1960 1 5 . 1 1 37 37 GLY C C 37 174.428 174.428 175.358 -0.930 25454 1961 1 5 . 1 1 37 37 GLY CA C 37 46.427 46.427 44.955 1.472 25454 1962 1 5 . 1 1 37 37 GLY H H 37 6.819 6.819 8.063 -1.244 25454 1963 1 5 . 1 1 38 38 GLY N N 38 110.780 110.780 109.048 1.732 25454 1964 1 5 . 1 1 38 38 GLY C C 38 174.108 174.108 173.486 0.622 25454 1965 1 5 . 1 1 38 38 GLY CA C 38 44.972 44.972 44.992 -0.020 25454 1966 1 5 . 1 1 38 38 GLY H H 38 8.365 8.365 7.970 0.395 25454 1967 1 5 . 1 1 39 39 ASP N N 39 120.800 120.800 116.614 4.186 25454 1968 1 5 . 1 1 39 39 ASP HA H 39 4.789 4.789 4.660 0.129 25454 1969 1 5 . 1 1 39 39 ASP C C 39 177.820 177.820 177.177 0.643 25454 1970 1 5 . 1 1 39 39 ASP CA C 39 55.340 55.340 54.729 0.611 25454 1971 1 5 . 1 1 39 39 ASP CB C 39 41.150 41.150 41.348 -0.198 25454 1972 1 5 . 1 1 39 39 ASP H H 39 8.476 8.476 8.681 -0.205 25454 1973 1 5 . 1 1 40 40 THR N N 40 111.201 111.201 115.409 -4.208 25454 1974 1 5 . 1 1 40 40 THR HA H 40 3.753 3.753 4.304 -0.551 25454 1975 1 5 . 1 1 40 40 THR C C 40 175.526 175.526 175.459 0.067 25454 1976 1 5 . 1 1 40 40 THR CA C 40 60.300 60.300 61.923 -1.623 25454 1977 1 5 . 1 1 40 40 THR CB C 40 71.278 71.278 67.138 4.140 25454 1978 1 5 . 1 1 40 40 THR H H 40 8.132 8.132 8.329 -0.197 25454 1979 1 5 . 1 1 41 41 VAL N N 41 125.014 125.014 117.977 7.037 25454 1980 1 5 . 1 1 41 41 VAL HA H 41 3.831 3.831 3.578 0.253 25454 1981 1 5 . 1 1 41 41 VAL C C 41 174.100 174.100 175.572 -1.472 25454 1982 1 5 . 1 1 41 41 VAL CA C 41 63.988 63.988 62.140 1.848 25454 1983 1 5 . 1 1 41 41 VAL CB C 41 30.465 30.465 30.310 0.155 25454 1984 1 5 . 1 1 41 41 VAL H H 41 8.278 8.278 7.654 0.624 25454 1985 1 5 . 1 1 42 42 THR N N 42 121.970 121.970 115.307 6.663 25454 1986 1 5 . 1 1 42 42 THR HA H 42 4.603 4.603 4.190 0.413 25454 1987 1 5 . 1 1 42 42 THR C C 42 172.978 172.978 174.760 -1.782 25454 1988 1 5 . 1 1 42 42 THR CA C 42 60.166 60.166 62.475 -2.309 25454 1989 1 5 . 1 1 42 42 THR CB C 42 70.588 70.588 69.495 1.093 25454 1990 1 5 . 1 1 42 42 THR H H 42 7.849 7.849 7.458 0.391 25454 1991 1 5 . 1 1 43 43 LEU N N 43 122.979 122.979 124.954 -1.975 25454 1992 1 5 . 1 1 43 43 LEU HA H 43 5.041 5.041 4.547 0.494 25454 1993 1 5 . 1 1 43 43 LEU CA C 43 55.072 55.072 54.293 0.779 25454 1994 1 5 . 1 1 43 43 LEU CB C 43 42.661 42.661 39.757 2.904 25454 1995 1 5 . 1 1 43 43 LEU H H 43 8.310 8.310 8.521 -0.211 25454 1996 1 5 . 1 1 44 44 ASN N N 44 124.579 124.579 120.994 3.585 25454 1997 1 5 . 1 1 44 44 ASN HA H 44 5.135 5.135 4.684 0.451 25454 1998 1 5 . 1 1 44 44 ASN C C 44 175.736 175.736 175.998 -0.262 25454 1999 1 5 . 1 1 44 44 ASN CA C 44 50.814 50.814 52.827 -2.013 25454 2000 1 5 . 1 1 44 44 ASN CB C 44 40.280 40.280 39.504 0.776 25454 2001 1 5 . 1 1 44 44 ASN H H 44 9.542 9.542 8.114 1.428 25454 2002 1 5 . 1 1 45 45 GLU N N 45 118.210 118.210 119.219 -1.009 25454 2003 1 5 . 1 1 45 45 GLU HA H 45 4.088 4.088 4.063 0.025 25454 2004 1 5 . 1 1 45 45 GLU C C 45 179.010 179.010 178.593 0.417 25454 2005 1 5 . 1 1 45 45 GLU CA C 45 60.349 60.349 59.667 0.682 25454 2006 1 5 . 1 1 45 45 GLU CB C 45 28.908 28.908 29.463 -0.555 25454 2007 1 5 . 1 1 45 45 GLU H H 45 8.752 8.752 8.950 -0.198 25454 2008 1 5 . 1 1 46 46 THR N N 46 116.430 116.430 116.413 0.017 25454 2009 1 5 . 1 1 46 46 THR HA H 46 4.114 4.114 4.048 0.066 25454 2010 1 5 . 1 1 46 46 THR C C 46 176.994 176.994 175.992 1.002 25454 2011 1 5 . 1 1 46 46 THR CA C 46 66.260 66.260 67.376 -1.116 25454 2012 1 5 . 1 1 46 46 THR CB C 46 68.270 68.270 68.406 -0.136 25454 2013 1 5 . 1 1 46 46 THR H H 46 8.043 8.043 7.906 0.137 25454 2014 1 5 . 1 1 47 47 ASP N N 47 124.380 124.380 123.259 1.121 25454 2015 1 5 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.389 -0.045 25454 2016 1 5 . 1 1 47 47 ASP C C 47 178.914 178.914 178.345 0.569 25454 2017 1 5 . 1 1 47 47 ASP CA C 47 58.630 58.630 57.795 0.835 25454 2018 1 5 . 1 1 47 47 ASP CB C 47 42.350 42.350 40.949 1.401 25454 2019 1 5 . 1 1 47 47 ASP H H 47 8.475 8.475 8.420 0.055 25454 2020 1 5 . 1 1 48 48 LEU N N 48 116.889 116.889 118.714 -1.825 25454 2021 1 5 . 1 1 48 48 LEU HA H 48 4.118 4.118 4.147 -0.029 25454 2022 1 5 . 1 1 48 48 LEU C C 48 175.839 175.839 179.196 -3.357 25454 2023 1 5 . 1 1 48 48 LEU CA C 48 57.432 57.432 57.821 -0.389 25454 2024 1 5 . 1 1 48 48 LEU CB C 48 41.430 41.430 41.998 -0.568 25454 2025 1 5 . 1 1 48 48 LEU H H 48 8.082 8.082 8.539 -0.457 25454 2026 1 5 . 1 1 49 49 THR N N 49 112.550 112.550 115.109 -2.559 25454 2027 1 5 . 1 1 49 49 THR HA H 49 4.310 4.310 4.145 0.165 25454 2028 1 5 . 1 1 49 49 THR C C 49 177.306 177.306 176.432 0.874 25454 2029 1 5 . 1 1 49 49 THR CA C 49 64.520 64.520 66.066 -1.546 25454 2030 1 5 . 1 1 49 49 THR CB C 49 69.525 69.525 68.937 0.588 25454 2031 1 5 . 1 1 49 49 THR H H 49 7.743 7.743 7.805 -0.062 25454 2032 1 5 . 1 1 50 50 GLN N N 50 121.570 121.570 120.722 0.848 25454 2033 1 5 . 1 1 50 50 GLN HA H 50 4.344 4.344 4.250 0.094 25454 2034 1 5 . 1 1 50 50 GLN C C 50 178.308 178.308 178.282 0.026 25454 2035 1 5 . 1 1 50 50 GLN CA C 50 58.630 58.630 57.729 0.901 25454 2036 1 5 . 1 1 50 50 GLN CB C 50 30.850 30.850 28.399 2.451 25454 2037 1 5 . 1 1 50 50 GLN H H 50 8.519 8.519 8.085 0.434 25454 2038 1 5 . 1 1 51 51 ILE N N 51 120.320 120.320 121.494 -1.174 25454 2039 1 5 . 1 1 51 51 ILE HA H 51 3.573 3.573 4.024 -0.451 25454 2040 1 5 . 1 1 51 51 ILE CA C 51 69.155 69.155 65.667 3.488 25454 2041 1 5 . 1 1 51 51 ILE CB C 51 35.659 35.659 35.785 -0.126 25454 2042 1 5 . 1 1 51 51 ILE H H 51 8.663 8.663 8.599 0.064 25454 2043 1 5 . 1 1 52 52 PRO HA H 52 4.301 4.301 4.327 -0.026 25454 2044 1 5 . 1 1 52 52 PRO C C 52 179.686 179.686 178.602 1.084 25454 2045 1 5 . 1 1 52 52 PRO CA C 52 66.190 66.190 65.215 0.975 25454 2046 1 5 . 1 1 52 52 PRO CB C 52 31.270 31.270 31.542 -0.272 25454 2047 1 5 . 1 1 53 53 LYS N N 53 116.520 116.520 118.660 -2.140 25454 2048 1 5 . 1 1 53 53 LYS HA H 53 4.231 4.231 4.195 0.036 25454 2049 1 5 . 1 1 53 53 LYS C C 53 179.475 179.475 179.171 0.304 25454 2050 1 5 . 1 1 53 53 LYS CA C 53 59.017 59.017 58.741 0.276 25454 2051 1 5 . 1 1 53 53 LYS CB C 53 31.796 31.796 31.921 -0.125 25454 2052 1 5 . 1 1 53 53 LYS H H 53 7.016 7.016 7.488 -0.472 25454 2053 1 5 . 1 1 54 54 VAL N N 54 125.220 125.220 114.591 10.629 25454 2054 1 5 . 1 1 54 54 VAL HA H 54 3.022 3.022 4.043 -1.021 25454 2055 1 5 . 1 1 54 54 VAL C C 54 177.692 177.692 176.762 0.930 25454 2056 1 5 . 1 1 54 54 VAL CA C 54 65.860 65.860 64.942 0.918 25454 2057 1 5 . 1 1 54 54 VAL CB C 54 30.623 30.623 31.695 -1.072 25454 2058 1 5 . 1 1 54 54 VAL H H 54 8.068 8.068 8.122 -0.054 25454 2059 1 5 . 1 1 55 55 ILE N N 55 119.943 119.943 119.350 0.593 25454 2060 1 5 . 1 1 55 55 ILE HA H 55 3.641 3.641 4.297 -0.656 25454 2061 1 5 . 1 1 55 55 ILE C C 55 177.515 177.515 177.689 -0.174 25454 2062 1 5 . 1 1 55 55 ILE CA C 55 66.896 66.896 63.978 2.918 25454 2063 1 5 . 1 1 55 55 ILE CB C 55 38.500 38.500 39.035 -0.535 25454 2064 1 5 . 1 1 55 55 ILE H H 55 7.589 7.589 7.476 0.113 25454 2065 1 5 . 1 1 56 56 GLU N N 56 118.310 118.310 121.266 -2.956 25454 2066 1 5 . 1 1 56 56 GLU HA H 56 4.010 4.010 3.986 0.024 25454 2067 1 5 . 1 1 56 56 GLU C C 56 178.518 178.518 179.132 -0.614 25454 2068 1 5 . 1 1 56 56 GLU CA C 56 59.603 59.603 60.059 -0.456 25454 2069 1 5 . 1 1 56 56 GLU CB C 56 29.776 29.776 29.700 0.076 25454 2070 1 5 . 1 1 56 56 GLU H H 56 7.794 7.794 8.521 -0.727 25454 2071 1 5 . 1 1 57 57 TYR N N 57 120.510 120.510 119.034 1.476 25454 2072 1 5 . 1 1 57 57 TYR HA H 57 4.239 4.239 4.247 -0.008 25454 2073 1 5 . 1 1 57 57 TYR C C 57 178.919 178.919 177.871 1.048 25454 2074 1 5 . 1 1 57 57 TYR CA C 57 61.600 61.600 61.227 0.373 25454 2075 1 5 . 1 1 57 57 TYR CB C 57 39.060 39.060 38.147 0.913 25454 2076 1 5 . 1 1 57 57 TYR H H 57 8.495 8.495 8.602 -0.107 25454 2077 1 5 . 1 1 58 58 CYS N N 58 117.760 117.760 117.899 -0.139 25454 2078 1 5 . 1 1 58 58 CYS HA H 58 4.685 4.685 4.392 0.293 25454 2079 1 5 . 1 1 58 58 CYS C C 58 177.217 177.217 176.275 0.942 25454 2080 1 5 . 1 1 58 58 CYS CA C 58 52.020 52.020 61.258 -9.238 25454 2081 1 5 . 1 1 58 58 CYS CB C 58 31.667 31.667 27.160 4.507 25454 2082 1 5 . 1 1 58 58 CYS H H 58 8.672 8.672 7.920 0.752 25454 2083 1 5 . 1 1 59 59 LYS N N 59 120.550 120.550 119.725 0.825 25454 2084 1 5 . 1 1 59 59 LYS HA H 59 4.008 4.008 4.092 -0.084 25454 2085 1 5 . 1 1 59 59 LYS C C 59 179.247 179.247 178.408 0.839 25454 2086 1 5 . 1 1 59 59 LYS CA C 59 59.790 59.790 58.805 0.985 25454 2087 1 5 . 1 1 59 59 LYS CB C 59 32.800 32.800 31.962 0.838 25454 2088 1 5 . 1 1 59 59 LYS H H 59 8.481 8.481 8.306 0.175 25454 2089 1 5 . 1 1 60 60 LYS N N 60 116.830 116.830 118.324 -1.494 25454 2090 1 5 . 1 1 60 60 LYS HA H 60 4.166 4.166 4.170 -0.004 25454 2091 1 5 . 1 1 60 60 LYS C C 60 176.432 176.432 176.887 -0.455 25454 2092 1 5 . 1 1 60 60 LYS CA C 60 57.260 57.260 57.946 -0.686 25454 2093 1 5 . 1 1 60 60 LYS CB C 60 33.760 33.760 32.867 0.893 25454 2094 1 5 . 1 1 60 60 LYS H H 60 7.455 7.455 8.367 -0.912 25454 2095 1 5 . 1 1 61 61 ASN N N 61 117.140 117.140 116.006 1.134 25454 2096 1 5 . 1 1 61 61 ASN HA H 61 4.686 4.686 5.092 -0.406 25454 2097 1 5 . 1 1 61 61 ASN CA C 61 51.300 51.300 50.952 0.348 25454 2098 1 5 . 1 1 61 61 ASN CB C 61 40.208 40.208 38.263 1.945 25454 2099 1 5 . 1 1 61 61 ASN H H 61 7.368 7.368 7.421 -0.053 25454 2100 1 5 . 1 1 62 62 PRO HA H 62 4.227 4.227 4.512 -0.285 25454 2101 1 5 . 1 1 62 62 PRO C C 62 177.511 177.511 177.731 -0.220 25454 2102 1 5 . 1 1 62 62 PRO CA C 62 65.430 65.430 64.985 0.445 25454 2103 1 5 . 1 1 62 62 PRO CB C 62 31.800 31.800 32.114 -0.314 25454 2104 1 5 . 1 1 63 63 GLN N N 63 114.045 114.045 114.738 -0.693 25454 2105 1 5 . 1 1 63 63 GLN HA H 63 4.450 4.450 4.210 0.240 25454 2106 1 5 . 1 1 63 63 GLN C C 63 177.766 177.766 176.626 1.140 25454 2107 1 5 . 1 1 63 63 GLN CA C 63 56.200 56.200 56.604 -0.404 25454 2108 1 5 . 1 1 63 63 GLN CB C 63 28.200 28.200 28.914 -0.714 25454 2109 1 5 . 1 1 63 63 GLN H H 63 8.578 8.578 8.307 0.271 25454 2110 1 5 . 1 1 64 64 LYS N N 64 119.960 119.960 120.632 -0.672 25454 2111 1 5 . 1 1 64 64 LYS HA H 64 4.452 4.452 4.274 0.178 25454 2112 1 5 . 1 1 64 64 LYS C C 64 176.151 176.151 175.650 0.501 25454 2113 1 5 . 1 1 64 64 LYS CA C 64 55.660 55.660 55.706 -0.046 25454 2114 1 5 . 1 1 64 64 LYS CB C 64 33.500 33.500 33.114 0.386 25454 2115 1 5 . 1 1 64 64 LYS H H 64 7.628 7.628 7.735 -0.107 25454 2116 1 5 . 1 1 65 65 ASN N N 65 120.139 120.139 117.746 2.393 25454 2117 1 5 . 1 1 65 65 ASN HA H 65 4.807 4.807 4.547 0.260 25454 2118 1 5 . 1 1 65 65 ASN CA C 65 54.070 54.070 53.625 0.445 25454 2119 1 5 . 1 1 65 65 ASN CB C 65 38.070 38.070 39.323 -1.253 25454 2120 1 5 . 1 1 65 65 ASN H H 65 8.936 8.936 8.365 0.571 25454 2121 1 5 . 1 1 66 66 LEU N N 66 129.960 129.960 122.821 7.139 25454 2122 1 5 . 1 1 66 66 LEU HA H 66 4.165 4.165 3.630 0.535 25454 2123 1 5 . 1 1 66 66 LEU C C 66 176.948 176.948 177.884 -0.936 25454 2124 1 5 . 1 1 66 66 LEU CA C 66 59.220 59.220 56.582 2.638 25454 2125 1 5 . 1 1 66 66 LEU CB C 66 42.830 42.830 42.342 0.488 25454 2126 1 5 . 1 1 66 66 LEU H H 66 8.939 8.939 8.268 0.671 25454 2127 1 5 . 1 1 67 67 TYR N N 67 115.770 115.770 117.026 -1.256 25454 2128 1 5 . 1 1 67 67 TYR HA H 67 4.077 4.077 4.275 -0.198 25454 2129 1 5 . 1 1 67 67 TYR C C 67 178.731 178.731 177.777 0.954 25454 2130 1 5 . 1 1 67 67 TYR CA C 67 61.277 61.277 61.036 0.241 25454 2131 1 5 . 1 1 67 67 TYR CB C 67 36.768 36.768 37.938 -1.170 25454 2132 1 5 . 1 1 67 67 TYR H H 67 9.409 9.409 8.268 1.141 25454 2133 1 5 . 1 1 68 68 THR N N 68 112.470 112.470 116.185 -3.715 25454 2134 1 5 . 1 1 68 68 THR HA H 68 4.268 4.268 4.062 0.206 25454 2135 1 5 . 1 1 68 68 THR C C 68 176.104 176.104 175.935 0.169 25454 2136 1 5 . 1 1 68 68 THR CA C 68 64.650 64.650 65.283 -0.633 25454 2137 1 5 . 1 1 68 68 THR CB C 68 70.268 70.268 68.545 1.723 25454 2138 1 5 . 1 1 68 68 THR H H 68 8.076 8.076 8.489 -0.413 25454 2139 1 5 . 1 1 69 69 PHE N N 69 123.660 123.660 119.981 3.679 25454 2140 1 5 . 1 1 69 69 PHE HA H 69 2.811 2.811 4.320 -1.509 25454 2141 1 5 . 1 1 69 69 PHE C C 69 176.290 176.290 177.436 -1.146 25454 2142 1 5 . 1 1 69 69 PHE CA C 69 61.510 61.510 57.830 3.680 25454 2143 1 5 . 1 1 69 69 PHE CB C 69 39.610 39.610 37.849 1.761 25454 2144 1 5 . 1 1 69 69 PHE H H 69 7.969 7.969 7.781 0.188 25454 2145 1 5 . 1 1 70 70 LYS N N 70 113.530 113.530 121.211 -7.681 25454 2146 1 5 . 1 1 70 70 LYS HA H 70 3.757 3.757 3.901 -0.144 25454 2147 1 5 . 1 1 70 70 LYS C C 70 176.269 176.269 178.472 -2.203 25454 2148 1 5 . 1 1 70 70 LYS CA C 70 57.840 57.840 58.574 -0.734 25454 2149 1 5 . 1 1 70 70 LYS CB C 70 32.520 32.520 32.144 0.376 25454 2150 1 5 . 1 1 70 70 LYS H H 70 6.957 6.957 8.127 -1.170 25454 2151 1 5 . 1 1 71 71 ASN N N 71 117.360 117.360 118.062 -0.702 25454 2152 1 5 . 1 1 71 71 ASN HA H 71 4.652 4.652 4.532 0.120 25454 2153 1 5 . 1 1 71 71 ASN C C 71 175.155 175.155 176.921 -1.766 25454 2154 1 5 . 1 1 71 71 ASN CA C 71 53.273 53.273 55.256 -1.983 25454 2155 1 5 . 1 1 71 71 ASN CB C 71 38.870 38.870 38.166 0.704 25454 2156 1 5 . 1 1 71 71 ASN H H 71 7.488 7.488 8.425 -0.937 25454 2157 1 5 . 1 1 72 72 GLN N N 72 119.610 119.610 117.693 1.917 25454 2158 1 5 . 1 1 72 72 GLN HA H 72 4.202 4.202 4.067 0.135 25454 2159 1 5 . 1 1 72 72 GLN C C 72 179.467 179.467 175.828 3.639 25454 2160 1 5 . 1 1 72 72 GLN CA C 72 56.160 56.160 56.875 -0.715 25454 2161 1 5 . 1 1 72 72 GLN CB C 72 29.460 29.460 28.870 0.590 25454 2162 1 5 . 1 1 72 72 GLN H H 72 7.611 7.611 7.902 -0.291 25454 2163 1 5 . 1 1 73 73 ALA N N 73 125.130 125.130 122.153 2.977 25454 2164 1 5 . 1 1 73 73 ALA HA H 73 4.198 4.198 4.604 -0.406 25454 2165 1 5 . 1 1 73 73 ALA C C 73 177.907 177.907 176.514 1.393 25454 2166 1 5 . 1 1 73 73 ALA CA C 73 52.761 52.761 51.101 1.660 25454 2167 1 5 . 1 1 73 73 ALA CB C 73 19.028 19.028 19.849 -0.821 25454 2168 1 5 . 1 1 73 73 ALA H H 73 8.072 8.072 7.646 0.426 25454 2169 1 5 . 1 1 74 74 SER N N 74 115.100 115.100 120.126 -5.026 25454 2170 1 5 . 1 1 74 74 SER HA H 74 4.344 4.344 4.577 -0.233 25454 2171 1 5 . 1 1 74 74 SER C C 74 174.562 174.562 175.128 -0.566 25454 2172 1 5 . 1 1 74 74 SER CA C 74 58.640 58.640 58.332 0.308 25454 2173 1 5 . 1 1 74 74 SER CB C 74 63.660 63.660 63.855 -0.195 25454 2174 1 5 . 1 1 74 74 SER H H 74 8.114 8.114 8.814 -0.700 25454 2175 1 5 . 1 1 75 75 ASN N N 75 120.950 120.950 119.722 1.228 25454 2176 1 5 . 1 1 75 75 ASN HA H 75 4.698 4.698 4.746 -0.048 25454 2177 1 5 . 1 1 75 75 ASN C C 75 174.790 174.790 175.461 -0.671 25454 2178 1 5 . 1 1 75 75 ASN CA C 75 53.340 53.340 53.017 0.322 25454 2179 1 5 . 1 1 75 75 ASN CB C 75 38.980 38.980 38.292 0.688 25454 2180 1 5 . 1 1 75 75 ASN H H 75 8.283 8.283 8.034 0.249 25454 2181 1 5 . 1 1 76 76 ASP N N 76 120.550 120.550 116.346 4.204 25454 2182 1 5 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.798 -0.195 25454 2183 1 5 . 1 1 76 76 ASP C C 76 175.588 175.588 175.014 0.574 25454 2184 1 5 . 1 1 76 76 ASP CA C 76 53.940 53.940 54.663 -0.723 25454 2185 1 5 . 1 1 76 76 ASP CB C 76 40.510 40.510 40.409 0.101 25454 2186 1 5 . 1 1 76 76 ASP H H 76 8.201 8.201 8.352 -0.151 25454 2187 1 5 . 1 1 77 77 LEU N N 77 123.780 123.780 112.765 11.015 25454 2188 1 5 . 1 1 77 77 LEU HA H 77 4.600 4.600 3.978 0.622 25454 2189 1 5 . 1 1 77 77 LEU CA C 77 52.980 52.980 51.670 1.310 25454 2190 1 5 . 1 1 77 77 LEU CB C 77 41.850 41.850 42.993 -1.143 25454 2191 1 5 . 1 1 77 77 LEU H H 77 8.021 8.021 6.999 1.022 25454 2192 1 5 . 1 1 78 78 PRO HA H 78 4.417 4.417 4.387 0.030 25454 2193 1 5 . 1 1 78 78 PRO C C 78 176.058 176.058 175.928 0.130 25454 2194 1 5 . 1 1 78 78 PRO CA C 78 63.260 63.260 62.974 0.286 25454 2195 1 5 . 1 1 78 78 PRO CB C 78 31.956 31.956 32.031 -0.075 25454 2196 1 6 . 1 1 2 2 ASN N N 2 118.440 118.440 118.029 0.411 25454 2197 1 6 . 1 1 2 2 ASN HA H 2 4.660 4.660 4.587 0.073 25454 2198 1 6 . 1 1 2 2 ASN C C 2 174.884 174.884 175.388 -0.504 25454 2199 1 6 . 1 1 2 2 ASN CA C 2 53.730 53.730 53.339 0.391 25454 2200 1 6 . 1 1 2 2 ASN CB C 2 38.500 38.500 38.608 -0.108 25454 2201 1 6 . 1 1 2 2 ASN H H 2 8.869 8.869 8.471 0.398 25454 2202 1 6 . 1 1 3 3 GLU N N 3 121.390 121.390 119.832 1.558 25454 2203 1 6 . 1 1 3 3 GLU HA H 3 4.416 4.416 4.197 0.219 25454 2204 1 6 . 1 1 3 3 GLU C C 3 175.916 175.916 176.544 -0.628 25454 2205 1 6 . 1 1 3 3 GLU CA C 3 56.300 56.300 57.081 -0.781 25454 2206 1 6 . 1 1 3 3 GLU CB C 3 29.810 29.810 29.924 -0.114 25454 2207 1 6 . 1 1 3 3 GLU H H 3 8.560 8.560 8.413 0.147 25454 2208 1 6 . 1 1 4 4 SER N N 4 118.190 118.190 113.950 4.240 25454 2209 1 6 . 1 1 4 4 SER HA H 4 4.716 4.716 4.282 0.434 25454 2210 1 6 . 1 1 4 4 SER C C 4 175.686 175.686 175.272 0.414 25454 2211 1 6 . 1 1 4 4 SER CA C 4 57.890 57.890 57.430 0.460 25454 2212 1 6 . 1 1 4 4 SER CB C 4 65.080 65.080 63.040 2.040 25454 2213 1 6 . 1 1 4 4 SER H H 4 8.802 8.802 8.073 0.729 25454 2214 1 6 . 1 1 5 5 ALA N N 5 128.990 128.990 129.772 -0.782 25454 2215 1 6 . 1 1 5 5 ALA HA H 5 4.142 4.142 4.136 0.006 25454 2216 1 6 . 1 1 5 5 ALA C C 5 179.112 179.112 179.057 0.055 25454 2217 1 6 . 1 1 5 5 ALA CA C 5 55.880 55.880 54.367 1.513 25454 2218 1 6 . 1 1 5 5 ALA CB C 5 18.110 18.110 19.087 -0.977 25454 2219 1 6 . 1 1 5 5 ALA H H 5 8.992 8.992 8.911 0.081 25454 2220 1 6 . 1 1 6 6 LYS N N 6 114.810 114.810 116.040 -1.230 25454 2221 1 6 . 1 1 6 6 LYS HA H 6 3.221 3.221 2.501 0.720 25454 2222 1 6 . 1 1 6 6 LYS C C 6 177.448 177.448 177.120 0.328 25454 2223 1 6 . 1 1 6 6 LYS CA C 6 57.740 57.740 58.319 -0.579 25454 2224 1 6 . 1 1 6 6 LYS CB C 6 31.830 31.830 31.922 -0.092 25454 2225 1 6 . 1 1 6 6 LYS H H 6 7.776 7.776 7.299 0.477 25454 2226 1 6 . 1 1 7 7 ASP N N 7 119.190 119.190 116.058 3.132 25454 2227 1 6 . 1 1 7 7 ASP HA H 7 4.748 4.748 4.725 0.023 25454 2228 1 6 . 1 1 7 7 ASP C C 7 176.254 176.254 175.356 0.898 25454 2229 1 6 . 1 1 7 7 ASP CA C 7 53.800 53.800 52.843 0.957 25454 2230 1 6 . 1 1 7 7 ASP CB C 7 41.560 41.560 41.503 0.057 25454 2231 1 6 . 1 1 7 7 ASP H H 7 7.744 7.744 7.458 0.286 25454 2232 1 6 . 1 1 8 8 MET N N 8 122.540 122.540 121.297 1.243 25454 2233 1 6 . 1 1 8 8 MET HA H 8 4.502 4.502 4.505 -0.003 25454 2234 1 6 . 1 1 8 8 MET C C 8 176.932 176.932 175.718 1.214 25454 2235 1 6 . 1 1 8 8 MET CA C 8 56.390 56.390 56.434 -0.044 25454 2236 1 6 . 1 1 8 8 MET CB C 8 35.300 35.300 33.387 1.913 25454 2237 1 6 . 1 1 8 8 MET H H 8 7.925 7.925 7.269 0.656 25454 2238 1 6 . 1 1 9 9 THR N N 9 121.410 121.410 121.659 -0.249 25454 2239 1 6 . 1 1 9 9 THR HA H 9 4.794 4.794 4.404 0.390 25454 2240 1 6 . 1 1 9 9 THR C C 9 176.198 176.198 175.258 0.940 25454 2241 1 6 . 1 1 9 9 THR CA C 9 61.960 61.960 62.407 -0.447 25454 2242 1 6 . 1 1 9 9 THR CB C 9 72.200 72.200 70.136 2.063 25454 2243 1 6 . 1 1 9 9 THR H H 9 9.927 9.927 8.232 1.695 25454 2244 1 6 . 1 1 10 10 CYS N N 10 121.150 121.150 125.139 -3.989 25454 2245 1 6 . 1 1 10 10 CYS HA H 10 4.685 4.685 4.217 0.468 25454 2246 1 6 . 1 1 10 10 CYS C C 10 177.324 177.324 177.110 0.214 25454 2247 1 6 . 1 1 10 10 CYS CA C 10 56.970 56.970 62.309 -5.339 25454 2248 1 6 . 1 1 10 10 CYS CB C 10 32.440 32.440 25.743 6.697 25454 2249 1 6 . 1 1 10 10 CYS H H 10 9.765 9.765 8.871 0.894 25454 2250 1 6 . 1 1 11 11 GLN N N 11 121.360 121.360 119.734 1.626 25454 2251 1 6 . 1 1 11 11 GLN HA H 11 3.894 3.894 4.099 -0.205 25454 2252 1 6 . 1 1 11 11 GLN C C 11 176.902 176.902 177.580 -0.678 25454 2253 1 6 . 1 1 11 11 GLN CA C 11 58.680 58.680 58.494 0.186 25454 2254 1 6 . 1 1 11 11 GLN CB C 11 28.900 28.900 28.177 0.723 25454 2255 1 6 . 1 1 11 11 GLN H H 11 8.583 8.583 8.415 0.168 25454 2256 1 6 . 1 1 12 12 GLU N N 12 117.090 117.090 119.226 -2.136 25454 2257 1 6 . 1 1 12 12 GLU HA H 12 3.983 3.983 4.174 -0.191 25454 2258 1 6 . 1 1 12 12 GLU C C 12 179.763 179.763 178.931 0.832 25454 2259 1 6 . 1 1 12 12 GLU CA C 12 59.528 59.528 57.690 1.838 25454 2260 1 6 . 1 1 12 12 GLU CB C 12 31.830 31.830 29.940 1.890 25454 2261 1 6 . 1 1 12 12 GLU H H 12 7.867 7.867 7.695 0.172 25454 2262 1 6 . 1 1 13 13 PHE N N 13 119.630 119.630 122.353 -2.723 25454 2263 1 6 . 1 1 13 13 PHE HA H 13 4.269 4.269 4.250 0.019 25454 2264 1 6 . 1 1 13 13 PHE C C 13 176.432 176.432 177.945 -1.513 25454 2265 1 6 . 1 1 13 13 PHE CA C 13 61.150 61.150 61.400 -0.250 25454 2266 1 6 . 1 1 13 13 PHE CB C 13 39.520 39.520 39.647 -0.127 25454 2267 1 6 . 1 1 13 13 PHE H H 13 8.182 8.182 8.531 -0.349 25454 2268 1 6 . 1 1 14 14 ILE N N 14 114.180 114.180 113.889 0.291 25454 2269 1 6 . 1 1 14 14 ILE HA H 14 3.761 3.761 3.840 -0.079 25454 2270 1 6 . 1 1 14 14 ILE C C 14 177.089 177.089 175.914 1.175 25454 2271 1 6 . 1 1 14 14 ILE CA C 14 63.030 63.030 63.270 -0.240 25454 2272 1 6 . 1 1 14 14 ILE CB C 14 36.740 36.740 37.225 -0.485 25454 2273 1 6 . 1 1 14 14 ILE H H 14 8.191 8.191 8.094 0.097 25454 2274 1 6 . 1 1 15 15 ASP N N 15 120.260 120.260 119.268 0.992 25454 2275 1 6 . 1 1 15 15 ASP HA H 15 4.716 4.716 4.747 -0.031 25454 2276 1 6 . 1 1 15 15 ASP C C 15 174.697 174.697 176.285 -1.588 25454 2277 1 6 . 1 1 15 15 ASP CA C 15 54.080 54.080 53.697 0.384 25454 2278 1 6 . 1 1 15 15 ASP CB C 15 40.810 40.810 42.453 -1.643 25454 2279 1 6 . 1 1 15 15 ASP H H 15 7.478 7.478 7.735 -0.257 25454 2280 1 6 . 1 1 16 16 LEU N N 16 122.985 122.985 119.607 3.378 25454 2281 1 6 . 1 1 16 16 LEU HA H 16 4.067 4.067 4.358 -0.291 25454 2282 1 6 . 1 1 16 16 LEU C C 16 176.710 176.710 176.385 0.325 25454 2283 1 6 . 1 1 16 16 LEU CA C 16 55.028 55.028 55.050 -0.022 25454 2284 1 6 . 1 1 16 16 LEU CB C 16 43.370 43.370 42.673 0.697 25454 2285 1 6 . 1 1 16 16 LEU H H 16 7.226 7.226 7.399 -0.173 25454 2286 1 6 . 1 1 17 17 ASN N N 17 119.620 119.620 119.640 -0.020 25454 2287 1 6 . 1 1 17 17 ASN HA H 17 4.634 4.634 4.706 -0.072 25454 2288 1 6 . 1 1 17 17 ASN CA C 17 52.048 52.048 52.121 -0.073 25454 2289 1 6 . 1 1 17 17 ASN CB C 17 39.480 39.480 39.304 0.176 25454 2290 1 6 . 1 1 17 17 ASN H H 17 7.265 7.265 8.402 -1.137 25454 2291 1 6 . 1 1 18 18 PRO HA H 18 4.137 4.137 4.332 -0.195 25454 2292 1 6 . 1 1 18 18 PRO C C 18 179.247 179.247 177.802 1.445 25454 2293 1 6 . 1 1 18 18 PRO CA C 18 65.370 65.370 64.566 0.804 25454 2294 1 6 . 1 1 18 18 PRO CB C 18 32.610 32.610 32.087 0.523 25454 2295 1 6 . 1 1 19 19 LYS N N 19 116.450 116.450 119.725 -3.275 25454 2296 1 6 . 1 1 19 19 LYS HA H 19 3.856 3.856 4.063 -0.207 25454 2297 1 6 . 1 1 19 19 LYS C C 19 176.995 176.995 178.912 -1.917 25454 2298 1 6 . 1 1 19 19 LYS CA C 19 59.080 59.080 59.013 0.067 25454 2299 1 6 . 1 1 19 19 LYS CB C 19 34.940 34.940 32.093 2.847 25454 2300 1 6 . 1 1 19 19 LYS H H 19 8.445 8.445 8.265 0.180 25454 2301 1 6 . 1 1 20 20 ALA N N 20 116.170 116.170 121.290 -5.120 25454 2302 1 6 . 1 1 20 20 ALA HA H 20 4.255 4.255 4.407 -0.152 25454 2303 1 6 . 1 1 20 20 ALA C C 20 177.511 177.511 179.144 -1.633 25454 2304 1 6 . 1 1 20 20 ALA CA C 20 51.640 51.640 53.577 -1.937 25454 2305 1 6 . 1 1 20 20 ALA CB C 20 21.660 21.660 18.078 3.582 25454 2306 1 6 . 1 1 20 20 ALA H H 20 8.400 8.400 8.537 -0.137 25454 2307 1 6 . 1 1 21 21 MET N N 21 117.850 117.850 119.294 -1.444 25454 2308 1 6 . 1 1 21 21 MET HA H 21 3.645 3.645 3.978 -0.333 25454 2309 1 6 . 1 1 21 21 MET C C 21 177.511 177.511 177.408 0.103 25454 2310 1 6 . 1 1 21 21 MET CA C 21 61.418 61.418 59.771 1.647 25454 2311 1 6 . 1 1 21 21 MET CB C 21 33.220 33.220 32.709 0.511 25454 2312 1 6 . 1 1 21 21 MET H H 21 7.206 7.206 7.952 -0.746 25454 2313 1 6 . 1 1 22 22 THR N N 22 114.690 114.690 115.377 -0.687 25454 2314 1 6 . 1 1 22 22 THR HA H 22 4.115 4.115 4.334 -0.219 25454 2315 1 6 . 1 1 22 22 THR CA C 22 69.550 69.550 68.219 1.331 25454 2316 1 6 . 1 1 22 22 THR CB C 22 65.700 65.700 66.370 -0.670 25454 2317 1 6 . 1 1 22 22 THR H H 22 8.695 8.695 7.838 0.857 25454 2318 1 6 . 1 1 23 23 PRO HA H 23 3.550 3.550 4.300 -0.750 25454 2319 1 6 . 1 1 23 23 PRO C C 23 178.637 178.637 178.786 -0.149 25454 2320 1 6 . 1 1 23 23 PRO CA C 23 65.770 65.770 65.913 -0.143 25454 2321 1 6 . 1 1 23 23 PRO CB C 23 31.182 31.182 31.048 0.134 25454 2322 1 6 . 1 1 24 24 VAL N N 24 115.820 115.820 119.149 -3.329 25454 2323 1 6 . 1 1 24 24 VAL HA H 24 3.675 3.675 4.061 -0.386 25454 2324 1 6 . 1 1 24 24 VAL C C 24 177.464 177.464 177.533 -0.069 25454 2325 1 6 . 1 1 24 24 VAL CA C 24 67.490 67.490 65.090 2.400 25454 2326 1 6 . 1 1 24 24 VAL CB C 24 31.970 31.970 31.489 0.481 25454 2327 1 6 . 1 1 24 24 VAL H H 24 7.441 7.441 7.534 -0.093 25454 2328 1 6 . 1 1 25 25 ALA N N 25 122.670 122.670 122.066 0.604 25454 2329 1 6 . 1 1 25 25 ALA HA H 25 3.783 3.783 4.306 -0.523 25454 2330 1 6 . 1 1 25 25 ALA C C 25 178.497 178.497 178.926 -0.429 25454 2331 1 6 . 1 1 25 25 ALA CA C 25 55.620 55.620 54.956 0.664 25454 2332 1 6 . 1 1 25 25 ALA CB C 25 18.852 18.852 18.546 0.306 25454 2333 1 6 . 1 1 25 25 ALA H H 25 8.805 8.805 8.606 0.199 25454 2334 1 6 . 1 1 26 26 TRP N N 26 118.270 118.270 120.492 -2.222 25454 2335 1 6 . 1 1 26 26 TRP HA H 26 3.709 3.709 4.587 -0.878 25454 2336 1 6 . 1 1 26 26 TRP C C 26 178.309 178.309 177.003 1.306 25454 2337 1 6 . 1 1 26 26 TRP CA C 26 63.940 63.940 60.188 3.752 25454 2338 1 6 . 1 1 26 26 TRP CB C 26 29.740 29.740 30.817 -1.077 25454 2339 1 6 . 1 1 26 26 TRP H H 26 9.181 9.181 8.071 1.110 25454 2340 1 6 . 1 1 27 27 TRP N N 27 119.740 119.740 122.478 -2.738 25454 2341 1 6 . 1 1 27 27 TRP HA H 27 4.118 4.118 4.282 -0.164 25454 2342 1 6 . 1 1 27 27 TRP C C 27 177.511 177.511 178.161 -0.650 25454 2343 1 6 . 1 1 27 27 TRP CA C 27 60.588 60.588 58.622 1.966 25454 2344 1 6 . 1 1 27 27 TRP CB C 27 30.021 30.021 29.503 0.518 25454 2345 1 6 . 1 1 27 27 TRP H H 27 8.527 8.527 9.085 -0.558 25454 2346 1 6 . 1 1 28 28 MET N N 28 119.130 119.130 117.907 1.223 25454 2347 1 6 . 1 1 28 28 MET HA H 28 3.618 3.618 3.409 0.209 25454 2348 1 6 . 1 1 28 28 MET C C 28 177.587 177.587 177.197 0.390 25454 2349 1 6 . 1 1 28 28 MET CA C 28 58.540 58.540 57.823 0.717 25454 2350 1 6 . 1 1 28 28 MET CB C 28 29.392 29.392 31.588 -2.196 25454 2351 1 6 . 1 1 28 28 MET H H 28 7.756 7.756 7.911 -0.155 25454 2352 1 6 . 1 1 29 29 LEU N N 29 117.820 117.820 116.726 1.094 25454 2353 1 6 . 1 1 29 29 LEU HA H 29 3.559 3.559 3.933 -0.374 25454 2354 1 6 . 1 1 29 29 LEU C C 29 179.417 179.417 175.583 3.834 25454 2355 1 6 . 1 1 29 29 LEU CA C 29 57.043 57.043 55.648 1.395 25454 2356 1 6 . 1 1 29 29 LEU CB C 29 42.676 42.676 42.392 0.284 25454 2357 1 6 . 1 1 29 29 LEU H H 29 7.838 7.838 7.356 0.482 25454 2358 1 6 . 1 1 30 30 HIS N N 30 113.790 113.790 114.955 -1.165 25454 2359 1 6 . 1 1 30 30 HIS HA H 30 4.059 4.059 4.842 -0.783 25454 2360 1 6 . 1 1 30 30 HIS C C 30 176.289 176.289 173.852 2.437 25454 2361 1 6 . 1 1 30 30 HIS CA C 30 56.030 56.030 53.995 2.034 25454 2362 1 6 . 1 1 30 30 HIS CB C 30 29.216 29.216 30.777 -1.561 25454 2363 1 6 . 1 1 30 30 HIS H H 30 7.757 7.757 7.868 -0.111 25454 2364 1 6 . 1 1 31 31 GLU N N 31 125.870 125.870 124.226 1.644 25454 2365 1 6 . 1 1 31 31 GLU HA H 31 4.450 4.450 4.260 0.190 25454 2366 1 6 . 1 1 31 31 GLU C C 31 176.775 176.775 177.065 -0.290 25454 2367 1 6 . 1 1 31 31 GLU CA C 31 56.160 56.160 56.259 -0.099 25454 2368 1 6 . 1 1 31 31 GLU CB C 31 28.386 28.386 30.904 -2.518 25454 2369 1 6 . 1 1 31 31 GLU H H 31 8.916 8.916 8.613 0.303 25454 2370 1 6 . 1 1 32 32 GLU N N 32 116.185 116.185 119.528 -3.343 25454 2371 1 6 . 1 1 32 32 GLU HA H 32 3.563 3.563 4.471 -0.908 25454 2372 1 6 . 1 1 32 32 GLU C C 32 174.994 174.994 176.645 -1.651 25454 2373 1 6 . 1 1 32 32 GLU CA C 32 58.090 58.090 57.577 0.513 25454 2374 1 6 . 1 1 32 32 GLU CB C 32 26.783 26.783 28.827 -2.044 25454 2375 1 6 . 1 1 32 32 GLU H H 32 9.330 9.330 8.363 0.967 25454 2376 1 6 . 1 1 33 33 THR N N 33 110.202 110.202 113.713 -3.511 25454 2377 1 6 . 1 1 33 33 THR HA H 33 4.696 4.696 4.178 0.518 25454 2378 1 6 . 1 1 33 33 THR C C 33 173.529 173.529 174.722 -1.193 25454 2379 1 6 . 1 1 33 33 THR CA C 33 60.129 60.129 63.265 -3.136 25454 2380 1 6 . 1 1 33 33 THR CB C 33 71.864 71.864 69.200 2.664 25454 2381 1 6 . 1 1 33 33 THR H H 33 7.620 7.620 7.707 -0.087 25454 2382 1 6 . 1 1 34 34 VAL N N 34 121.967 121.967 126.144 -4.177 25454 2383 1 6 . 1 1 34 34 VAL HA H 34 4.139 4.139 4.171 -0.032 25454 2384 1 6 . 1 1 34 34 VAL C C 34 172.579 172.579 175.107 -2.528 25454 2385 1 6 . 1 1 34 34 VAL CA C 34 63.032 63.032 62.638 0.394 25454 2386 1 6 . 1 1 34 34 VAL CB C 34 32.594 32.594 32.351 0.243 25454 2387 1 6 . 1 1 34 34 VAL H H 34 8.308 8.308 8.235 0.073 25454 2388 1 6 . 1 1 35 35 TYR N N 35 129.550 129.550 125.896 3.654 25454 2389 1 6 . 1 1 35 35 TYR HA H 35 4.562 4.562 4.452 0.110 25454 2390 1 6 . 1 1 35 35 TYR CA C 35 58.660 58.660 59.161 -0.501 25454 2391 1 6 . 1 1 35 35 TYR CB C 35 39.520 39.520 39.193 0.327 25454 2392 1 6 . 1 1 35 35 TYR H H 35 8.610 8.610 8.737 -0.127 25454 2393 1 6 . 1 1 36 36 LYS N N 36 129.360 129.360 123.294 6.066 25454 2394 1 6 . 1 1 36 36 LYS HA H 36 4.411 4.411 4.485 -0.074 25454 2395 1 6 . 1 1 36 36 LYS CA C 36 55.626 55.626 55.671 -0.045 25454 2396 1 6 . 1 1 36 36 LYS CB C 36 32.790 32.790 35.221 -2.431 25454 2397 1 6 . 1 1 36 36 LYS H H 36 8.509 8.509 8.237 0.272 25454 2398 1 6 . 1 1 37 37 GLY N N 37 109.150 109.150 108.092 1.058 25454 2399 1 6 . 1 1 37 37 GLY C C 37 174.428 174.428 173.848 0.580 25454 2400 1 6 . 1 1 37 37 GLY CA C 37 46.427 46.427 45.036 1.391 25454 2401 1 6 . 1 1 37 37 GLY H H 37 6.819 6.819 8.681 -1.862 25454 2402 1 6 . 1 1 38 38 GLY N N 38 110.780 110.780 107.118 3.662 25454 2403 1 6 . 1 1 38 38 GLY C C 38 174.108 174.108 173.563 0.545 25454 2404 1 6 . 1 1 38 38 GLY CA C 38 44.972 44.972 45.730 -0.758 25454 2405 1 6 . 1 1 38 38 GLY H H 38 8.365 8.365 8.201 0.164 25454 2406 1 6 . 1 1 39 39 ASP N N 39 120.800 120.800 119.229 1.571 25454 2407 1 6 . 1 1 39 39 ASP HA H 39 4.789 4.789 4.974 -0.185 25454 2408 1 6 . 1 1 39 39 ASP C C 39 177.820 177.820 175.462 2.358 25454 2409 1 6 . 1 1 39 39 ASP CA C 39 55.340 55.340 53.739 1.601 25454 2410 1 6 . 1 1 39 39 ASP CB C 39 41.150 41.150 41.785 -0.635 25454 2411 1 6 . 1 1 39 39 ASP H H 39 8.476 8.476 8.531 -0.055 25454 2412 1 6 . 1 1 40 40 THR N N 40 111.201 111.201 113.313 -2.112 25454 2413 1 6 . 1 1 40 40 THR HA H 40 3.753 3.753 4.061 -0.308 25454 2414 1 6 . 1 1 40 40 THR C C 40 175.526 175.526 174.577 0.949 25454 2415 1 6 . 1 1 40 40 THR CA C 40 60.300 60.300 63.265 -2.965 25454 2416 1 6 . 1 1 40 40 THR CB C 40 71.278 71.278 67.140 4.138 25454 2417 1 6 . 1 1 40 40 THR H H 40 8.132 8.132 8.263 -0.131 25454 2418 1 6 . 1 1 41 41 VAL N N 41 125.014 125.014 113.406 11.608 25454 2419 1 6 . 1 1 41 41 VAL HA H 41 3.831 3.831 3.832 -0.001 25454 2420 1 6 . 1 1 41 41 VAL C C 41 174.100 174.100 176.411 -2.311 25454 2421 1 6 . 1 1 41 41 VAL CA C 41 63.988 63.988 62.663 1.325 25454 2422 1 6 . 1 1 41 41 VAL CB C 41 30.465 30.465 31.348 -0.883 25454 2423 1 6 . 1 1 41 41 VAL H H 41 8.278 8.278 7.900 0.378 25454 2424 1 6 . 1 1 42 42 THR N N 42 121.970 121.970 115.055 6.915 25454 2425 1 6 . 1 1 42 42 THR HA H 42 4.603 4.603 4.053 0.550 25454 2426 1 6 . 1 1 42 42 THR C C 42 172.978 172.978 174.970 -1.992 25454 2427 1 6 . 1 1 42 42 THR CA C 42 60.166 60.166 63.087 -2.921 25454 2428 1 6 . 1 1 42 42 THR CB C 42 70.588 70.588 69.653 0.935 25454 2429 1 6 . 1 1 42 42 THR H H 42 7.849 7.849 7.647 0.202 25454 2430 1 6 . 1 1 43 43 LEU N N 43 122.979 122.979 125.265 -2.286 25454 2431 1 6 . 1 1 43 43 LEU HA H 43 5.041 5.041 4.668 0.373 25454 2432 1 6 . 1 1 43 43 LEU CA C 43 55.072 55.072 54.555 0.517 25454 2433 1 6 . 1 1 43 43 LEU CB C 43 42.661 42.661 40.544 2.117 25454 2434 1 6 . 1 1 43 43 LEU H H 43 8.310 8.310 8.351 -0.041 25454 2435 1 6 . 1 1 44 44 ASN N N 44 124.579 124.579 123.718 0.861 25454 2436 1 6 . 1 1 44 44 ASN HA H 44 5.135 5.135 4.735 0.400 25454 2437 1 6 . 1 1 44 44 ASN C C 44 175.736 175.736 176.059 -0.323 25454 2438 1 6 . 1 1 44 44 ASN CA C 44 50.814 50.814 52.689 -1.875 25454 2439 1 6 . 1 1 44 44 ASN CB C 44 40.280 40.280 39.510 0.770 25454 2440 1 6 . 1 1 44 44 ASN H H 44 9.542 9.542 8.284 1.258 25454 2441 1 6 . 1 1 45 45 GLU N N 45 118.210 118.210 118.725 -0.515 25454 2442 1 6 . 1 1 45 45 GLU HA H 45 4.088 4.088 4.047 0.041 25454 2443 1 6 . 1 1 45 45 GLU C C 45 179.010 179.010 178.388 0.622 25454 2444 1 6 . 1 1 45 45 GLU CA C 45 60.349 60.349 59.742 0.607 25454 2445 1 6 . 1 1 45 45 GLU CB C 45 28.908 28.908 29.435 -0.527 25454 2446 1 6 . 1 1 45 45 GLU H H 45 8.752 8.752 8.849 -0.097 25454 2447 1 6 . 1 1 46 46 THR N N 46 116.430 116.430 115.772 0.658 25454 2448 1 6 . 1 1 46 46 THR HA H 46 4.114 4.114 4.131 -0.017 25454 2449 1 6 . 1 1 46 46 THR C C 46 176.994 176.994 176.269 0.725 25454 2450 1 6 . 1 1 46 46 THR CA C 46 66.260 66.260 66.736 -0.476 25454 2451 1 6 . 1 1 46 46 THR CB C 46 68.270 68.270 68.421 -0.151 25454 2452 1 6 . 1 1 46 46 THR H H 46 8.043 8.043 7.909 0.134 25454 2453 1 6 . 1 1 47 47 ASP N N 47 124.380 124.380 123.231 1.149 25454 2454 1 6 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.503 -0.159 25454 2455 1 6 . 1 1 47 47 ASP C C 47 178.914 178.914 178.597 0.317 25454 2456 1 6 . 1 1 47 47 ASP CA C 47 58.630 58.630 57.408 1.222 25454 2457 1 6 . 1 1 47 47 ASP CB C 47 42.350 42.350 40.153 2.197 25454 2458 1 6 . 1 1 47 47 ASP H H 47 8.475 8.475 8.401 0.074 25454 2459 1 6 . 1 1 48 48 LEU N N 48 116.889 116.889 118.465 -1.576 25454 2460 1 6 . 1 1 48 48 LEU HA H 48 4.118 4.118 4.169 -0.051 25454 2461 1 6 . 1 1 48 48 LEU C C 48 175.839 175.839 178.533 -2.694 25454 2462 1 6 . 1 1 48 48 LEU CA C 48 57.432 57.432 57.788 -0.356 25454 2463 1 6 . 1 1 48 48 LEU CB C 48 41.430 41.430 41.741 -0.311 25454 2464 1 6 . 1 1 48 48 LEU H H 48 8.082 8.082 8.567 -0.485 25454 2465 1 6 . 1 1 49 49 THR N N 49 112.550 112.550 114.885 -2.335 25454 2466 1 6 . 1 1 49 49 THR HA H 49 4.310 4.310 4.256 0.054 25454 2467 1 6 . 1 1 49 49 THR C C 49 177.306 177.306 176.332 0.974 25454 2468 1 6 . 1 1 49 49 THR CA C 49 64.520 64.520 65.917 -1.397 25454 2469 1 6 . 1 1 49 49 THR CB C 49 69.525 69.525 68.912 0.613 25454 2470 1 6 . 1 1 49 49 THR H H 49 7.743 7.743 7.501 0.242 25454 2471 1 6 . 1 1 50 50 GLN N N 50 121.570 121.570 121.095 0.475 25454 2472 1 6 . 1 1 50 50 GLN HA H 50 4.344 4.344 4.291 0.053 25454 2473 1 6 . 1 1 50 50 GLN C C 50 178.308 178.308 178.284 0.024 25454 2474 1 6 . 1 1 50 50 GLN CA C 50 58.630 58.630 57.650 0.980 25454 2475 1 6 . 1 1 50 50 GLN CB C 50 30.850 30.850 28.487 2.363 25454 2476 1 6 . 1 1 50 50 GLN H H 50 8.519 8.519 8.130 0.389 25454 2477 1 6 . 1 1 51 51 ILE N N 51 120.320 120.320 121.649 -1.329 25454 2478 1 6 . 1 1 51 51 ILE HA H 51 3.573 3.573 4.007 -0.434 25454 2479 1 6 . 1 1 51 51 ILE CA C 51 69.155 69.155 66.346 2.809 25454 2480 1 6 . 1 1 51 51 ILE CB C 51 35.659 35.659 35.615 0.044 25454 2481 1 6 . 1 1 51 51 ILE H H 51 8.663 8.663 8.880 -0.217 25454 2482 1 6 . 1 1 52 52 PRO HA H 52 4.301 4.301 4.298 0.003 25454 2483 1 6 . 1 1 52 52 PRO C C 52 179.686 179.686 178.676 1.010 25454 2484 1 6 . 1 1 52 52 PRO CA C 52 66.190 66.190 65.483 0.707 25454 2485 1 6 . 1 1 52 52 PRO CB C 52 31.270 31.270 31.323 -0.053 25454 2486 1 6 . 1 1 53 53 LYS N N 53 116.520 116.520 118.547 -2.027 25454 2487 1 6 . 1 1 53 53 LYS HA H 53 4.231 4.231 4.197 0.034 25454 2488 1 6 . 1 1 53 53 LYS C C 53 179.475 179.475 179.225 0.250 25454 2489 1 6 . 1 1 53 53 LYS CA C 53 59.017 59.017 58.591 0.426 25454 2490 1 6 . 1 1 53 53 LYS CB C 53 31.796 31.796 31.848 -0.052 25454 2491 1 6 . 1 1 53 53 LYS H H 53 7.016 7.016 7.509 -0.493 25454 2492 1 6 . 1 1 54 54 VAL N N 54 125.220 125.220 116.096 9.124 25454 2493 1 6 . 1 1 54 54 VAL HA H 54 3.022 3.022 4.011 -0.989 25454 2494 1 6 . 1 1 54 54 VAL C C 54 177.692 177.692 177.748 -0.056 25454 2495 1 6 . 1 1 54 54 VAL CA C 54 65.860 65.860 65.355 0.505 25454 2496 1 6 . 1 1 54 54 VAL CB C 54 30.623 30.623 31.270 -0.647 25454 2497 1 6 . 1 1 54 54 VAL H H 54 8.068 8.068 8.452 -0.384 25454 2498 1 6 . 1 1 55 55 ILE N N 55 119.943 119.943 121.813 -1.870 25454 2499 1 6 . 1 1 55 55 ILE HA H 55 3.641 3.641 4.121 -0.480 25454 2500 1 6 . 1 1 55 55 ILE C C 55 177.515 177.515 177.889 -0.374 25454 2501 1 6 . 1 1 55 55 ILE CA C 55 66.896 66.896 65.549 1.347 25454 2502 1 6 . 1 1 55 55 ILE CB C 55 38.500 38.500 37.985 0.515 25454 2503 1 6 . 1 1 55 55 ILE H H 55 7.589 7.589 7.432 0.157 25454 2504 1 6 . 1 1 56 56 GLU N N 56 118.310 118.310 120.849 -2.539 25454 2505 1 6 . 1 1 56 56 GLU HA H 56 4.010 4.010 4.029 -0.019 25454 2506 1 6 . 1 1 56 56 GLU C C 56 178.518 178.518 179.296 -0.778 25454 2507 1 6 . 1 1 56 56 GLU CA C 56 59.603 59.603 59.843 -0.240 25454 2508 1 6 . 1 1 56 56 GLU CB C 56 29.776 29.776 29.655 0.121 25454 2509 1 6 . 1 1 56 56 GLU H H 56 7.794 7.794 8.573 -0.779 25454 2510 1 6 . 1 1 57 57 TYR N N 57 120.510 120.510 119.605 0.905 25454 2511 1 6 . 1 1 57 57 TYR HA H 57 4.239 4.239 4.315 -0.076 25454 2512 1 6 . 1 1 57 57 TYR C C 57 178.919 178.919 177.840 1.079 25454 2513 1 6 . 1 1 57 57 TYR CA C 57 61.600 61.600 60.081 1.519 25454 2514 1 6 . 1 1 57 57 TYR CB C 57 39.060 39.060 37.930 1.130 25454 2515 1 6 . 1 1 57 57 TYR H H 57 8.495 8.495 8.660 -0.165 25454 2516 1 6 . 1 1 58 58 CYS N N 58 117.760 117.760 117.843 -0.083 25454 2517 1 6 . 1 1 58 58 CYS HA H 58 4.685 4.685 4.324 0.361 25454 2518 1 6 . 1 1 58 58 CYS C C 58 177.217 177.217 176.516 0.701 25454 2519 1 6 . 1 1 58 58 CYS CA C 58 52.020 52.020 61.461 -9.441 25454 2520 1 6 . 1 1 58 58 CYS CB C 58 31.667 31.667 27.164 4.503 25454 2521 1 6 . 1 1 58 58 CYS H H 58 8.672 8.672 7.813 0.859 25454 2522 1 6 . 1 1 59 59 LYS N N 59 120.550 120.550 120.455 0.095 25454 2523 1 6 . 1 1 59 59 LYS HA H 59 4.008 4.008 4.132 -0.124 25454 2524 1 6 . 1 1 59 59 LYS C C 59 179.247 179.247 178.326 0.921 25454 2525 1 6 . 1 1 59 59 LYS CA C 59 59.790 59.790 58.748 1.042 25454 2526 1 6 . 1 1 59 59 LYS CB C 59 32.800 32.800 32.163 0.637 25454 2527 1 6 . 1 1 59 59 LYS H H 59 8.481 8.481 8.512 -0.031 25454 2528 1 6 . 1 1 60 60 LYS N N 60 116.830 116.830 118.009 -1.179 25454 2529 1 6 . 1 1 60 60 LYS HA H 60 4.166 4.166 4.251 -0.085 25454 2530 1 6 . 1 1 60 60 LYS C C 60 176.432 176.432 177.416 -0.984 25454 2531 1 6 . 1 1 60 60 LYS CA C 60 57.260 57.260 58.029 -0.769 25454 2532 1 6 . 1 1 60 60 LYS CB C 60 33.760 33.760 33.161 0.599 25454 2533 1 6 . 1 1 60 60 LYS H H 60 7.455 7.455 8.086 -0.631 25454 2534 1 6 . 1 1 61 61 ASN N N 61 117.140 117.140 118.558 -1.418 25454 2535 1 6 . 1 1 61 61 ASN HA H 61 4.686 4.686 5.212 -0.526 25454 2536 1 6 . 1 1 61 61 ASN CA C 61 51.300 51.300 51.001 0.299 25454 2537 1 6 . 1 1 61 61 ASN CB C 61 40.208 40.208 39.250 0.958 25454 2538 1 6 . 1 1 61 61 ASN H H 61 7.368 7.368 7.707 -0.339 25454 2539 1 6 . 1 1 62 62 PRO HA H 62 4.227 4.227 4.440 -0.213 25454 2540 1 6 . 1 1 62 62 PRO C C 62 177.511 177.511 177.645 -0.134 25454 2541 1 6 . 1 1 62 62 PRO CA C 62 65.430 65.430 64.827 0.603 25454 2542 1 6 . 1 1 62 62 PRO CB C 62 31.800 31.800 32.134 -0.334 25454 2543 1 6 . 1 1 63 63 GLN N N 63 114.045 114.045 113.929 0.116 25454 2544 1 6 . 1 1 63 63 GLN HA H 63 4.450 4.450 4.171 0.279 25454 2545 1 6 . 1 1 63 63 GLN C C 63 177.766 177.766 176.029 1.737 25454 2546 1 6 . 1 1 63 63 GLN CA C 63 56.200 56.200 56.968 -0.768 25454 2547 1 6 . 1 1 63 63 GLN CB C 63 28.200 28.200 28.698 -0.498 25454 2548 1 6 . 1 1 63 63 GLN H H 63 8.578 8.578 8.304 0.274 25454 2549 1 6 . 1 1 64 64 LYS N N 64 119.960 119.960 120.639 -0.679 25454 2550 1 6 . 1 1 64 64 LYS HA H 64 4.452 4.452 4.162 0.290 25454 2551 1 6 . 1 1 64 64 LYS C C 64 176.151 176.151 175.626 0.525 25454 2552 1 6 . 1 1 64 64 LYS CA C 64 55.660 55.660 55.819 -0.159 25454 2553 1 6 . 1 1 64 64 LYS CB C 64 33.500 33.500 32.877 0.623 25454 2554 1 6 . 1 1 64 64 LYS H H 64 7.628 7.628 7.530 0.098 25454 2555 1 6 . 1 1 65 65 ASN N N 65 120.139 120.139 118.030 2.109 25454 2556 1 6 . 1 1 65 65 ASN HA H 65 4.807 4.807 4.490 0.317 25454 2557 1 6 . 1 1 65 65 ASN CA C 65 54.070 54.070 53.447 0.623 25454 2558 1 6 . 1 1 65 65 ASN CB C 65 38.070 38.070 39.457 -1.387 25454 2559 1 6 . 1 1 65 65 ASN H H 65 8.936 8.936 8.262 0.674 25454 2560 1 6 . 1 1 66 66 LEU N N 66 129.960 129.960 123.314 6.646 25454 2561 1 6 . 1 1 66 66 LEU HA H 66 4.165 4.165 3.569 0.596 25454 2562 1 6 . 1 1 66 66 LEU C C 66 176.948 176.948 177.981 -1.033 25454 2563 1 6 . 1 1 66 66 LEU CA C 66 59.220 59.220 56.581 2.639 25454 2564 1 6 . 1 1 66 66 LEU CB C 66 42.830 42.830 42.179 0.651 25454 2565 1 6 . 1 1 66 66 LEU H H 66 8.939 8.939 8.370 0.569 25454 2566 1 6 . 1 1 67 67 TYR N N 67 115.770 115.770 116.586 -0.816 25454 2567 1 6 . 1 1 67 67 TYR HA H 67 4.077 4.077 4.280 -0.203 25454 2568 1 6 . 1 1 67 67 TYR C C 67 178.731 178.731 177.772 0.959 25454 2569 1 6 . 1 1 67 67 TYR CA C 67 61.277 61.277 60.075 1.202 25454 2570 1 6 . 1 1 67 67 TYR CB C 67 36.768 36.768 37.914 -1.146 25454 2571 1 6 . 1 1 67 67 TYR H H 67 9.409 9.409 8.261 1.148 25454 2572 1 6 . 1 1 68 68 THR N N 68 112.470 112.470 116.861 -4.391 25454 2573 1 6 . 1 1 68 68 THR HA H 68 4.268 4.268 4.115 0.153 25454 2574 1 6 . 1 1 68 68 THR C C 68 176.104 176.104 176.574 -0.470 25454 2575 1 6 . 1 1 68 68 THR CA C 68 64.650 64.650 64.875 -0.225 25454 2576 1 6 . 1 1 68 68 THR CB C 68 70.268 70.268 68.170 2.098 25454 2577 1 6 . 1 1 68 68 THR H H 68 8.076 8.076 8.034 0.042 25454 2578 1 6 . 1 1 69 69 PHE N N 69 123.660 123.660 120.258 3.402 25454 2579 1 6 . 1 1 69 69 PHE HA H 69 2.811 2.811 4.431 -1.620 25454 2580 1 6 . 1 1 69 69 PHE C C 69 176.290 176.290 176.463 -0.173 25454 2581 1 6 . 1 1 69 69 PHE CA C 69 61.510 61.510 57.465 4.045 25454 2582 1 6 . 1 1 69 69 PHE CB C 69 39.610 39.610 37.577 2.033 25454 2583 1 6 . 1 1 69 69 PHE H H 69 7.969 7.969 7.706 0.263 25454 2584 1 6 . 1 1 70 70 LYS N N 70 113.530 113.530 119.512 -5.982 25454 2585 1 6 . 1 1 70 70 LYS HA H 70 3.757 3.757 4.059 -0.302 25454 2586 1 6 . 1 1 70 70 LYS C C 70 176.269 176.269 178.661 -2.392 25454 2587 1 6 . 1 1 70 70 LYS CA C 70 57.840 57.840 57.823 0.017 25454 2588 1 6 . 1 1 70 70 LYS CB C 70 32.520 32.520 32.440 0.080 25454 2589 1 6 . 1 1 70 70 LYS H H 70 6.957 6.957 7.800 -0.843 25454 2590 1 6 . 1 1 71 71 ASN N N 71 117.360 117.360 119.252 -1.892 25454 2591 1 6 . 1 1 71 71 ASN HA H 71 4.652 4.652 4.548 0.104 25454 2592 1 6 . 1 1 71 71 ASN C C 71 175.155 175.155 177.119 -1.964 25454 2593 1 6 . 1 1 71 71 ASN CA C 71 53.273 53.273 55.420 -2.147 25454 2594 1 6 . 1 1 71 71 ASN CB C 71 38.870 38.870 38.118 0.752 25454 2595 1 6 . 1 1 71 71 ASN H H 71 7.488 7.488 8.233 -0.745 25454 2596 1 6 . 1 1 72 72 GLN N N 72 119.610 119.610 118.219 1.391 25454 2597 1 6 . 1 1 72 72 GLN HA H 72 4.202 4.202 4.253 -0.051 25454 2598 1 6 . 1 1 72 72 GLN C C 72 179.467 179.467 176.071 3.396 25454 2599 1 6 . 1 1 72 72 GLN CA C 72 56.160 56.160 56.581 -0.422 25454 2600 1 6 . 1 1 72 72 GLN CB C 72 29.460 29.460 28.788 0.672 25454 2601 1 6 . 1 1 72 72 GLN H H 72 7.611 7.611 8.245 -0.634 25454 2602 1 6 . 1 1 73 73 ALA N N 73 125.130 125.130 123.892 1.238 25454 2603 1 6 . 1 1 73 73 ALA HA H 73 4.198 4.198 4.600 -0.402 25454 2604 1 6 . 1 1 73 73 ALA C C 73 177.907 177.907 177.239 0.668 25454 2605 1 6 . 1 1 73 73 ALA CA C 73 52.761 52.761 50.816 1.945 25454 2606 1 6 . 1 1 73 73 ALA CB C 73 19.028 19.028 18.905 0.123 25454 2607 1 6 . 1 1 73 73 ALA H H 73 8.072 8.072 7.420 0.652 25454 2608 1 6 . 1 1 74 74 SER N N 74 115.100 115.100 119.392 -4.292 25454 2609 1 6 . 1 1 74 74 SER HA H 74 4.344 4.344 4.112 0.232 25454 2610 1 6 . 1 1 74 74 SER C C 74 174.562 174.562 174.754 -0.192 25454 2611 1 6 . 1 1 74 74 SER CA C 74 58.640 58.640 59.288 -0.648 25454 2612 1 6 . 1 1 74 74 SER CB C 74 63.660 63.660 63.311 0.349 25454 2613 1 6 . 1 1 74 74 SER H H 74 8.114 8.114 8.643 -0.529 25454 2614 1 6 . 1 1 75 75 ASN N N 75 120.950 120.950 120.429 0.521 25454 2615 1 6 . 1 1 75 75 ASN HA H 75 4.698 4.698 4.573 0.125 25454 2616 1 6 . 1 1 75 75 ASN C C 75 174.790 174.790 174.377 0.413 25454 2617 1 6 . 1 1 75 75 ASN CA C 75 53.340 53.340 54.152 -0.812 25454 2618 1 6 . 1 1 75 75 ASN CB C 75 38.980 38.980 37.975 1.005 25454 2619 1 6 . 1 1 75 75 ASN H H 75 8.283 8.283 8.110 0.173 25454 2620 1 6 . 1 1 76 76 ASP N N 76 120.550 120.550 123.758 -3.208 25454 2621 1 6 . 1 1 76 76 ASP HA H 76 4.603 4.603 5.065 -0.462 25454 2622 1 6 . 1 1 76 76 ASP C C 76 175.588 175.588 174.124 1.464 25454 2623 1 6 . 1 1 76 76 ASP CA C 76 53.940 53.940 54.518 -0.578 25454 2624 1 6 . 1 1 76 76 ASP CB C 76 40.510 40.510 42.680 -2.170 25454 2625 1 6 . 1 1 76 76 ASP H H 76 8.201 8.201 8.334 -0.133 25454 2626 1 6 . 1 1 77 77 LEU N N 77 123.780 123.780 115.614 8.166 25454 2627 1 6 . 1 1 77 77 LEU HA H 77 4.600 4.600 4.550 0.050 25454 2628 1 6 . 1 1 77 77 LEU CA C 77 52.980 52.980 52.128 0.852 25454 2629 1 6 . 1 1 77 77 LEU CB C 77 41.850 41.850 42.723 -0.873 25454 2630 1 6 . 1 1 77 77 LEU H H 77 8.021 8.021 7.611 0.410 25454 2631 1 6 . 1 1 78 78 PRO HA H 78 4.417 4.417 4.499 -0.082 25454 2632 1 6 . 1 1 78 78 PRO C C 78 176.058 176.058 177.306 -1.248 25454 2633 1 6 . 1 1 78 78 PRO CA C 78 63.260 63.260 62.853 0.407 25454 2634 1 6 . 1 1 78 78 PRO CB C 78 31.956 31.956 32.136 -0.180 25454 2635 1 7 . 1 1 2 2 ASN N N 2 118.440 118.440 118.055 0.385 25454 2636 1 7 . 1 1 2 2 ASN HA H 2 4.660 4.660 4.669 -0.009 25454 2637 1 7 . 1 1 2 2 ASN C C 2 174.884 174.884 175.568 -0.684 25454 2638 1 7 . 1 1 2 2 ASN CA C 2 53.730 53.730 53.276 0.454 25454 2639 1 7 . 1 1 2 2 ASN CB C 2 38.500 38.500 38.461 0.039 25454 2640 1 7 . 1 1 2 2 ASN H H 2 8.869 8.869 8.358 0.511 25454 2641 1 7 . 1 1 3 3 GLU N N 3 121.390 121.390 119.410 1.980 25454 2642 1 7 . 1 1 3 3 GLU HA H 3 4.416 4.416 4.200 0.216 25454 2643 1 7 . 1 1 3 3 GLU C C 3 175.916 175.916 176.569 -0.653 25454 2644 1 7 . 1 1 3 3 GLU CA C 3 56.300 56.300 57.291 -0.991 25454 2645 1 7 . 1 1 3 3 GLU CB C 3 29.810 29.810 29.684 0.126 25454 2646 1 7 . 1 1 3 3 GLU H H 3 8.560 8.560 8.535 0.025 25454 2647 1 7 . 1 1 4 4 SER N N 4 118.190 118.190 112.041 6.149 25454 2648 1 7 . 1 1 4 4 SER HA H 4 4.716 4.716 4.254 0.462 25454 2649 1 7 . 1 1 4 4 SER C C 4 175.686 175.686 174.615 1.071 25454 2650 1 7 . 1 1 4 4 SER CA C 4 57.890 57.890 57.636 0.254 25454 2651 1 7 . 1 1 4 4 SER CB C 4 65.080 65.080 62.859 2.221 25454 2652 1 7 . 1 1 4 4 SER H H 4 8.802 8.802 7.882 0.920 25454 2653 1 7 . 1 1 5 5 ALA N N 5 128.990 128.990 129.511 -0.521 25454 2654 1 7 . 1 1 5 5 ALA HA H 5 4.142 4.142 4.245 -0.103 25454 2655 1 7 . 1 1 5 5 ALA C C 5 179.112 179.112 179.146 -0.034 25454 2656 1 7 . 1 1 5 5 ALA CA C 5 55.880 55.880 54.669 1.211 25454 2657 1 7 . 1 1 5 5 ALA CB C 5 18.110 18.110 19.084 -0.974 25454 2658 1 7 . 1 1 5 5 ALA H H 5 8.992 8.992 9.115 -0.123 25454 2659 1 7 . 1 1 6 6 LYS N N 6 114.810 114.810 116.043 -1.233 25454 2660 1 7 . 1 1 6 6 LYS HA H 6 3.221 3.221 3.907 -0.686 25454 2661 1 7 . 1 1 6 6 LYS C C 6 177.448 177.448 177.046 0.402 25454 2662 1 7 . 1 1 6 6 LYS CA C 6 57.740 57.740 57.907 -0.167 25454 2663 1 7 . 1 1 6 6 LYS CB C 6 31.830 31.830 31.870 -0.040 25454 2664 1 7 . 1 1 6 6 LYS H H 6 7.776 7.776 7.816 -0.040 25454 2665 1 7 . 1 1 7 7 ASP N N 7 119.190 119.190 116.400 2.790 25454 2666 1 7 . 1 1 7 7 ASP HA H 7 4.748 4.748 4.875 -0.127 25454 2667 1 7 . 1 1 7 7 ASP C C 7 176.254 176.254 175.299 0.955 25454 2668 1 7 . 1 1 7 7 ASP CA C 7 53.800 53.800 52.748 1.052 25454 2669 1 7 . 1 1 7 7 ASP CB C 7 41.560 41.560 41.831 -0.271 25454 2670 1 7 . 1 1 7 7 ASP H H 7 7.744 7.744 7.597 0.147 25454 2671 1 7 . 1 1 8 8 MET N N 8 122.540 122.540 121.396 1.144 25454 2672 1 7 . 1 1 8 8 MET HA H 8 4.502 4.502 4.508 -0.006 25454 2673 1 7 . 1 1 8 8 MET C C 8 176.932 176.932 175.782 1.150 25454 2674 1 7 . 1 1 8 8 MET CA C 8 56.390 56.390 56.502 -0.112 25454 2675 1 7 . 1 1 8 8 MET CB C 8 35.300 35.300 33.301 1.999 25454 2676 1 7 . 1 1 8 8 MET H H 8 7.925 7.925 7.319 0.606 25454 2677 1 7 . 1 1 9 9 THR N N 9 121.410 121.410 121.909 -0.499 25454 2678 1 7 . 1 1 9 9 THR HA H 9 4.794 4.794 4.472 0.322 25454 2679 1 7 . 1 1 9 9 THR C C 9 176.198 176.198 175.375 0.823 25454 2680 1 7 . 1 1 9 9 THR CA C 9 61.960 61.960 62.363 -0.403 25454 2681 1 7 . 1 1 9 9 THR CB C 9 72.200 72.200 70.147 2.053 25454 2682 1 7 . 1 1 9 9 THR H H 9 9.927 9.927 8.279 1.648 25454 2683 1 7 . 1 1 10 10 CYS N N 10 121.150 121.150 125.249 -4.099 25454 2684 1 7 . 1 1 10 10 CYS HA H 10 4.685 4.685 4.214 0.471 25454 2685 1 7 . 1 1 10 10 CYS C C 10 177.324 177.324 177.100 0.224 25454 2686 1 7 . 1 1 10 10 CYS CA C 10 56.970 56.970 62.402 -5.432 25454 2687 1 7 . 1 1 10 10 CYS CB C 10 32.440 32.440 25.771 6.669 25454 2688 1 7 . 1 1 10 10 CYS H H 10 9.765 9.765 8.886 0.879 25454 2689 1 7 . 1 1 11 11 GLN N N 11 121.360 121.360 119.606 1.754 25454 2690 1 7 . 1 1 11 11 GLN HA H 11 3.894 3.894 4.122 -0.228 25454 2691 1 7 . 1 1 11 11 GLN C C 11 176.902 176.902 177.373 -0.471 25454 2692 1 7 . 1 1 11 11 GLN CA C 11 58.680 58.680 58.532 0.148 25454 2693 1 7 . 1 1 11 11 GLN CB C 11 28.900 28.900 28.335 0.565 25454 2694 1 7 . 1 1 11 11 GLN H H 11 8.583 8.583 8.246 0.337 25454 2695 1 7 . 1 1 12 12 GLU N N 12 117.090 117.090 119.328 -2.238 25454 2696 1 7 . 1 1 12 12 GLU HA H 12 3.983 3.983 4.159 -0.176 25454 2697 1 7 . 1 1 12 12 GLU C C 12 179.763 179.763 178.947 0.816 25454 2698 1 7 . 1 1 12 12 GLU CA C 12 59.528 59.528 57.807 1.721 25454 2699 1 7 . 1 1 12 12 GLU CB C 12 31.830 31.830 29.894 1.936 25454 2700 1 7 . 1 1 12 12 GLU H H 12 7.867 7.867 7.706 0.161 25454 2701 1 7 . 1 1 13 13 PHE N N 13 119.630 119.630 122.181 -2.551 25454 2702 1 7 . 1 1 13 13 PHE HA H 13 4.269 4.269 4.243 0.026 25454 2703 1 7 . 1 1 13 13 PHE C C 13 176.432 176.432 178.002 -1.570 25454 2704 1 7 . 1 1 13 13 PHE CA C 13 61.150 61.150 61.446 -0.296 25454 2705 1 7 . 1 1 13 13 PHE CB C 13 39.520 39.520 39.635 -0.115 25454 2706 1 7 . 1 1 13 13 PHE H H 13 8.182 8.182 8.578 -0.396 25454 2707 1 7 . 1 1 14 14 ILE N N 14 114.180 114.180 114.064 0.116 25454 2708 1 7 . 1 1 14 14 ILE HA H 14 3.761 3.761 3.854 -0.093 25454 2709 1 7 . 1 1 14 14 ILE C C 14 177.089 177.089 176.016 1.073 25454 2710 1 7 . 1 1 14 14 ILE CA C 14 63.030 63.030 63.344 -0.314 25454 2711 1 7 . 1 1 14 14 ILE CB C 14 36.740 36.740 37.302 -0.562 25454 2712 1 7 . 1 1 14 14 ILE H H 14 8.191 8.191 8.169 0.022 25454 2713 1 7 . 1 1 15 15 ASP N N 15 120.260 120.260 119.393 0.867 25454 2714 1 7 . 1 1 15 15 ASP HA H 15 4.716 4.716 4.714 0.002 25454 2715 1 7 . 1 1 15 15 ASP C C 15 174.697 174.697 176.354 -1.657 25454 2716 1 7 . 1 1 15 15 ASP CA C 15 54.080 54.080 53.874 0.206 25454 2717 1 7 . 1 1 15 15 ASP CB C 15 40.810 40.810 42.325 -1.515 25454 2718 1 7 . 1 1 15 15 ASP H H 15 7.478 7.478 7.727 -0.249 25454 2719 1 7 . 1 1 16 16 LEU N N 16 122.985 122.985 119.494 3.491 25454 2720 1 7 . 1 1 16 16 LEU HA H 16 4.067 4.067 4.314 -0.247 25454 2721 1 7 . 1 1 16 16 LEU C C 16 176.710 176.710 176.131 0.579 25454 2722 1 7 . 1 1 16 16 LEU CA C 16 55.028 55.028 55.128 -0.100 25454 2723 1 7 . 1 1 16 16 LEU CB C 16 43.370 43.370 42.657 0.713 25454 2724 1 7 . 1 1 16 16 LEU H H 16 7.226 7.226 7.368 -0.142 25454 2725 1 7 . 1 1 17 17 ASN N N 17 119.620 119.620 119.720 -0.100 25454 2726 1 7 . 1 1 17 17 ASN HA H 17 4.634 4.634 4.808 -0.174 25454 2727 1 7 . 1 1 17 17 ASN CA C 17 52.048 52.048 51.108 0.940 25454 2728 1 7 . 1 1 17 17 ASN CB C 17 39.480 39.480 38.497 0.983 25454 2729 1 7 . 1 1 17 17 ASN H H 17 7.265 7.265 8.386 -1.121 25454 2730 1 7 . 1 1 18 18 PRO HA H 18 4.137 4.137 4.118 0.019 25454 2731 1 7 . 1 1 18 18 PRO C C 18 179.247 179.247 177.892 1.355 25454 2732 1 7 . 1 1 18 18 PRO CA C 18 65.370 65.370 64.837 0.533 25454 2733 1 7 . 1 1 18 18 PRO CB C 18 32.610 32.610 31.851 0.759 25454 2734 1 7 . 1 1 19 19 LYS N N 19 116.450 116.450 118.785 -2.335 25454 2735 1 7 . 1 1 19 19 LYS HA H 19 3.856 3.856 3.983 -0.127 25454 2736 1 7 . 1 1 19 19 LYS C C 19 176.995 176.995 179.001 -2.006 25454 2737 1 7 . 1 1 19 19 LYS CA C 19 59.080 59.080 59.688 -0.608 25454 2738 1 7 . 1 1 19 19 LYS CB C 19 34.940 34.940 31.936 3.005 25454 2739 1 7 . 1 1 19 19 LYS H H 19 8.445 8.445 8.804 -0.359 25454 2740 1 7 . 1 1 20 20 ALA N N 20 116.170 116.170 121.766 -5.596 25454 2741 1 7 . 1 1 20 20 ALA HA H 20 4.255 4.255 4.285 -0.030 25454 2742 1 7 . 1 1 20 20 ALA C C 20 177.511 177.511 179.436 -1.925 25454 2743 1 7 . 1 1 20 20 ALA CA C 20 51.640 51.640 54.142 -2.502 25454 2744 1 7 . 1 1 20 20 ALA CB C 20 21.660 21.660 18.001 3.659 25454 2745 1 7 . 1 1 20 20 ALA H H 20 8.400 8.400 7.730 0.670 25454 2746 1 7 . 1 1 21 21 MET N N 21 117.850 117.850 118.530 -0.680 25454 2747 1 7 . 1 1 21 21 MET HA H 21 3.645 3.645 3.961 -0.316 25454 2748 1 7 . 1 1 21 21 MET C C 21 177.511 177.511 177.499 0.012 25454 2749 1 7 . 1 1 21 21 MET CA C 21 61.418 61.418 59.677 1.741 25454 2750 1 7 . 1 1 21 21 MET CB C 21 33.220 33.220 32.655 0.565 25454 2751 1 7 . 1 1 21 21 MET H H 21 7.206 7.206 8.570 -1.364 25454 2752 1 7 . 1 1 22 22 THR N N 22 114.690 114.690 115.667 -0.977 25454 2753 1 7 . 1 1 22 22 THR HA H 22 4.115 4.115 4.288 -0.173 25454 2754 1 7 . 1 1 22 22 THR CA C 22 69.550 69.550 68.791 0.759 25454 2755 1 7 . 1 1 22 22 THR CB C 22 65.700 65.700 66.351 -0.651 25454 2756 1 7 . 1 1 22 22 THR H H 22 8.695 8.695 7.750 0.945 25454 2757 1 7 . 1 1 23 23 PRO HA H 23 3.550 3.550 4.231 -0.681 25454 2758 1 7 . 1 1 23 23 PRO C C 23 178.637 178.637 178.557 0.080 25454 2759 1 7 . 1 1 23 23 PRO CA C 23 65.770 65.770 65.979 -0.209 25454 2760 1 7 . 1 1 23 23 PRO CB C 23 31.182 31.182 31.053 0.129 25454 2761 1 7 . 1 1 24 24 VAL N N 24 115.820 115.820 118.977 -3.157 25454 2762 1 7 . 1 1 24 24 VAL HA H 24 3.675 3.675 4.051 -0.376 25454 2763 1 7 . 1 1 24 24 VAL C C 24 177.464 177.464 177.443 0.021 25454 2764 1 7 . 1 1 24 24 VAL CA C 24 67.490 67.490 65.043 2.447 25454 2765 1 7 . 1 1 24 24 VAL CB C 24 31.970 31.970 31.442 0.528 25454 2766 1 7 . 1 1 24 24 VAL H H 24 7.441 7.441 7.518 -0.077 25454 2767 1 7 . 1 1 25 25 ALA N N 25 122.670 122.670 122.389 0.281 25454 2768 1 7 . 1 1 25 25 ALA HA H 25 3.783 3.783 4.311 -0.528 25454 2769 1 7 . 1 1 25 25 ALA C C 25 178.497 178.497 178.776 -0.279 25454 2770 1 7 . 1 1 25 25 ALA CA C 25 55.620 55.620 54.869 0.751 25454 2771 1 7 . 1 1 25 25 ALA CB C 25 18.852 18.852 18.550 0.302 25454 2772 1 7 . 1 1 25 25 ALA H H 25 8.805 8.805 8.529 0.276 25454 2773 1 7 . 1 1 26 26 TRP N N 26 118.270 118.270 120.138 -1.868 25454 2774 1 7 . 1 1 26 26 TRP HA H 26 3.709 3.709 4.701 -0.992 25454 2775 1 7 . 1 1 26 26 TRP C C 26 178.309 178.309 177.130 1.179 25454 2776 1 7 . 1 1 26 26 TRP CA C 26 63.940 63.940 59.562 4.378 25454 2777 1 7 . 1 1 26 26 TRP CB C 26 29.740 29.740 30.854 -1.114 25454 2778 1 7 . 1 1 26 26 TRP H H 26 9.181 9.181 7.912 1.269 25454 2779 1 7 . 1 1 27 27 TRP N N 27 119.740 119.740 121.924 -2.184 25454 2780 1 7 . 1 1 27 27 TRP HA H 27 4.118 4.118 4.270 -0.152 25454 2781 1 7 . 1 1 27 27 TRP C C 27 177.511 177.511 178.344 -0.833 25454 2782 1 7 . 1 1 27 27 TRP CA C 27 60.588 60.588 59.108 1.480 25454 2783 1 7 . 1 1 27 27 TRP CB C 27 30.021 30.021 29.756 0.265 25454 2784 1 7 . 1 1 27 27 TRP H H 27 8.527 8.527 9.151 -0.624 25454 2785 1 7 . 1 1 28 28 MET N N 28 119.130 119.130 119.590 -0.460 25454 2786 1 7 . 1 1 28 28 MET HA H 28 3.618 3.618 3.470 0.148 25454 2787 1 7 . 1 1 28 28 MET C C 28 177.587 177.587 177.528 0.059 25454 2788 1 7 . 1 1 28 28 MET CA C 28 58.540 58.540 58.240 0.300 25454 2789 1 7 . 1 1 28 28 MET CB C 28 29.392 29.392 31.174 -1.782 25454 2790 1 7 . 1 1 28 28 MET H H 28 7.756 7.756 8.035 -0.279 25454 2791 1 7 . 1 1 29 29 LEU N N 29 117.820 117.820 117.844 -0.024 25454 2792 1 7 . 1 1 29 29 LEU HA H 29 3.559 3.559 3.919 -0.360 25454 2793 1 7 . 1 1 29 29 LEU C C 29 179.417 179.417 177.884 1.533 25454 2794 1 7 . 1 1 29 29 LEU CA C 29 57.043 57.043 57.170 -0.127 25454 2795 1 7 . 1 1 29 29 LEU CB C 29 42.676 42.676 41.420 1.256 25454 2796 1 7 . 1 1 29 29 LEU H H 29 7.838 7.838 7.291 0.547 25454 2797 1 7 . 1 1 30 30 HIS N N 30 113.790 113.790 113.218 0.572 25454 2798 1 7 . 1 1 30 30 HIS HA H 30 4.059 4.059 4.551 -0.492 25454 2799 1 7 . 1 1 30 30 HIS C C 30 176.289 176.289 175.312 0.977 25454 2800 1 7 . 1 1 30 30 HIS CA C 30 56.030 56.030 56.109 -0.080 25454 2801 1 7 . 1 1 30 30 HIS CB C 30 29.216 29.216 30.471 -1.254 25454 2802 1 7 . 1 1 30 30 HIS H H 30 7.757 7.757 7.827 -0.070 25454 2803 1 7 . 1 1 31 31 GLU N N 31 125.870 125.870 117.824 8.046 25454 2804 1 7 . 1 1 31 31 GLU HA H 31 4.450 4.450 4.082 0.368 25454 2805 1 7 . 1 1 31 31 GLU C C 31 176.775 176.775 176.135 0.640 25454 2806 1 7 . 1 1 31 31 GLU CA C 31 56.160 56.160 57.348 -1.188 25454 2807 1 7 . 1 1 31 31 GLU CB C 31 28.386 28.386 29.851 -1.465 25454 2808 1 7 . 1 1 31 31 GLU H H 31 8.916 8.916 7.419 1.497 25454 2809 1 7 . 1 1 32 32 GLU N N 32 116.185 116.185 120.451 -4.266 25454 2810 1 7 . 1 1 32 32 GLU HA H 32 3.563 3.563 3.661 -0.098 25454 2811 1 7 . 1 1 32 32 GLU C C 32 174.994 174.994 175.646 -0.652 25454 2812 1 7 . 1 1 32 32 GLU CA C 32 58.090 58.090 56.755 1.335 25454 2813 1 7 . 1 1 32 32 GLU CB C 32 26.783 26.783 28.577 -1.794 25454 2814 1 7 . 1 1 32 32 GLU H H 32 9.330 9.330 8.532 0.798 25454 2815 1 7 . 1 1 33 33 THR N N 33 110.202 110.202 113.982 -3.780 25454 2816 1 7 . 1 1 33 33 THR HA H 33 4.696 4.696 4.564 0.132 25454 2817 1 7 . 1 1 33 33 THR C C 33 173.529 173.529 172.834 0.695 25454 2818 1 7 . 1 1 33 33 THR CA C 33 60.129 60.129 61.193 -1.064 25454 2819 1 7 . 1 1 33 33 THR CB C 33 71.864 71.864 70.274 1.590 25454 2820 1 7 . 1 1 33 33 THR H H 33 7.620 7.620 7.950 -0.330 25454 2821 1 7 . 1 1 34 34 VAL N N 34 121.967 121.967 120.985 0.982 25454 2822 1 7 . 1 1 34 34 VAL HA H 34 4.139 4.139 4.115 0.024 25454 2823 1 7 . 1 1 34 34 VAL C C 34 172.579 172.579 174.754 -2.175 25454 2824 1 7 . 1 1 34 34 VAL CA C 34 63.032 63.032 60.927 2.105 25454 2825 1 7 . 1 1 34 34 VAL CB C 34 32.594 32.594 35.109 -2.515 25454 2826 1 7 . 1 1 34 34 VAL H H 34 8.308 8.308 8.163 0.145 25454 2827 1 7 . 1 1 35 35 TYR N N 35 129.550 129.550 122.549 7.001 25454 2828 1 7 . 1 1 35 35 TYR HA H 35 4.562 4.562 4.518 0.044 25454 2829 1 7 . 1 1 35 35 TYR CA C 35 58.660 58.660 57.068 1.592 25454 2830 1 7 . 1 1 35 35 TYR CB C 35 39.520 39.520 38.568 0.952 25454 2831 1 7 . 1 1 35 35 TYR H H 35 8.610 8.610 7.812 0.798 25454 2832 1 7 . 1 1 36 36 LYS N N 36 129.360 129.360 121.890 7.470 25454 2833 1 7 . 1 1 36 36 LYS HA H 36 4.411 4.411 4.336 0.075 25454 2834 1 7 . 1 1 36 36 LYS CA C 36 55.626 55.626 56.620 -0.994 25454 2835 1 7 . 1 1 36 36 LYS CB C 36 32.790 32.790 32.323 0.467 25454 2836 1 7 . 1 1 36 36 LYS H H 36 8.509 8.509 8.747 -0.238 25454 2837 1 7 . 1 1 37 37 GLY N N 37 109.150 109.150 107.823 1.327 25454 2838 1 7 . 1 1 37 37 GLY C C 37 174.428 174.428 174.072 0.356 25454 2839 1 7 . 1 1 37 37 GLY CA C 37 46.427 46.427 45.246 1.181 25454 2840 1 7 . 1 1 37 37 GLY H H 37 6.819 6.819 8.068 -1.249 25454 2841 1 7 . 1 1 38 38 GLY N N 38 110.780 110.780 109.303 1.477 25454 2842 1 7 . 1 1 38 38 GLY C C 38 174.108 174.108 173.617 0.491 25454 2843 1 7 . 1 1 38 38 GLY CA C 38 44.972 44.972 45.165 -0.193 25454 2844 1 7 . 1 1 38 38 GLY H H 38 8.365 8.365 8.339 0.026 25454 2845 1 7 . 1 1 39 39 ASP N N 39 120.800 120.800 116.273 4.527 25454 2846 1 7 . 1 1 39 39 ASP HA H 39 4.789 4.789 4.697 0.092 25454 2847 1 7 . 1 1 39 39 ASP C C 39 177.820 177.820 176.658 1.162 25454 2848 1 7 . 1 1 39 39 ASP CA C 39 55.340 55.340 55.034 0.306 25454 2849 1 7 . 1 1 39 39 ASP CB C 39 41.150 41.150 41.321 -0.171 25454 2850 1 7 . 1 1 39 39 ASP H H 39 8.476 8.476 8.647 -0.171 25454 2851 1 7 . 1 1 40 40 THR N N 40 111.201 111.201 115.316 -4.115 25454 2852 1 7 . 1 1 40 40 THR HA H 40 3.753 3.753 4.430 -0.677 25454 2853 1 7 . 1 1 40 40 THR C C 40 175.526 175.526 175.944 -0.418 25454 2854 1 7 . 1 1 40 40 THR CA C 40 60.300 60.300 60.867 -0.567 25454 2855 1 7 . 1 1 40 40 THR CB C 40 71.278 71.278 67.233 4.045 25454 2856 1 7 . 1 1 40 40 THR H H 40 8.132 8.132 8.031 0.101 25454 2857 1 7 . 1 1 41 41 VAL N N 41 125.014 125.014 116.366 8.648 25454 2858 1 7 . 1 1 41 41 VAL HA H 41 3.831 3.831 4.132 -0.301 25454 2859 1 7 . 1 1 41 41 VAL C C 41 174.100 174.100 176.399 -2.299 25454 2860 1 7 . 1 1 41 41 VAL CA C 41 63.988 63.988 63.329 0.659 25454 2861 1 7 . 1 1 41 41 VAL CB C 41 30.465 30.465 30.694 -0.229 25454 2862 1 7 . 1 1 41 41 VAL H H 41 8.278 8.278 7.770 0.508 25454 2863 1 7 . 1 1 42 42 THR N N 42 121.970 121.970 116.472 5.498 25454 2864 1 7 . 1 1 42 42 THR HA H 42 4.603 4.603 4.027 0.576 25454 2865 1 7 . 1 1 42 42 THR C C 42 172.978 172.978 175.072 -2.094 25454 2866 1 7 . 1 1 42 42 THR CA C 42 60.166 60.166 64.174 -4.008 25454 2867 1 7 . 1 1 42 42 THR CB C 42 70.588 70.588 69.033 1.555 25454 2868 1 7 . 1 1 42 42 THR H H 42 7.849 7.849 7.875 -0.026 25454 2869 1 7 . 1 1 43 43 LEU N N 43 122.979 122.979 125.129 -2.150 25454 2870 1 7 . 1 1 43 43 LEU HA H 43 5.041 5.041 4.300 0.741 25454 2871 1 7 . 1 1 43 43 LEU CA C 43 55.072 55.072 54.834 0.238 25454 2872 1 7 . 1 1 43 43 LEU CB C 43 42.661 42.661 39.821 2.840 25454 2873 1 7 . 1 1 43 43 LEU H H 43 8.310 8.310 8.395 -0.085 25454 2874 1 7 . 1 1 44 44 ASN N N 44 124.579 124.579 121.934 2.645 25454 2875 1 7 . 1 1 44 44 ASN HA H 44 5.135 5.135 4.694 0.441 25454 2876 1 7 . 1 1 44 44 ASN C C 44 175.736 175.736 175.837 -0.101 25454 2877 1 7 . 1 1 44 44 ASN CA C 44 50.814 50.814 52.565 -1.751 25454 2878 1 7 . 1 1 44 44 ASN CB C 44 40.280 40.280 39.377 0.903 25454 2879 1 7 . 1 1 44 44 ASN H H 44 9.542 9.542 8.242 1.300 25454 2880 1 7 . 1 1 45 45 GLU N N 45 118.210 118.210 118.424 -0.214 25454 2881 1 7 . 1 1 45 45 GLU HA H 45 4.088 4.088 4.055 0.033 25454 2882 1 7 . 1 1 45 45 GLU C C 45 179.010 179.010 178.400 0.610 25454 2883 1 7 . 1 1 45 45 GLU CA C 45 60.349 60.349 59.658 0.690 25454 2884 1 7 . 1 1 45 45 GLU CB C 45 28.908 28.908 29.419 -0.511 25454 2885 1 7 . 1 1 45 45 GLU H H 45 8.752 8.752 8.834 -0.082 25454 2886 1 7 . 1 1 46 46 THR N N 46 116.430 116.430 116.838 -0.408 25454 2887 1 7 . 1 1 46 46 THR HA H 46 4.114 4.114 4.088 0.026 25454 2888 1 7 . 1 1 46 46 THR C C 46 176.994 176.994 176.521 0.473 25454 2889 1 7 . 1 1 46 46 THR CA C 46 66.260 66.260 67.107 -0.847 25454 2890 1 7 . 1 1 46 46 THR CB C 46 68.270 68.270 68.432 -0.162 25454 2891 1 7 . 1 1 46 46 THR H H 46 8.043 8.043 8.012 0.031 25454 2892 1 7 . 1 1 47 47 ASP N N 47 124.380 124.380 123.200 1.180 25454 2893 1 7 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.467 -0.123 25454 2894 1 7 . 1 1 47 47 ASP C C 47 178.914 178.914 178.626 0.288 25454 2895 1 7 . 1 1 47 47 ASP CA C 47 58.630 58.630 58.216 0.414 25454 2896 1 7 . 1 1 47 47 ASP CB C 47 42.350 42.350 40.980 1.371 25454 2897 1 7 . 1 1 47 47 ASP H H 47 8.475 8.475 8.493 -0.018 25454 2898 1 7 . 1 1 48 48 LEU N N 48 116.889 116.889 118.804 -1.915 25454 2899 1 7 . 1 1 48 48 LEU HA H 48 4.118 4.118 4.153 -0.035 25454 2900 1 7 . 1 1 48 48 LEU C C 48 175.839 175.839 178.969 -3.130 25454 2901 1 7 . 1 1 48 48 LEU CA C 48 57.432 57.432 57.743 -0.311 25454 2902 1 7 . 1 1 48 48 LEU CB C 48 41.430 41.430 41.914 -0.484 25454 2903 1 7 . 1 1 48 48 LEU H H 48 8.082 8.082 8.699 -0.617 25454 2904 1 7 . 1 1 49 49 THR N N 49 112.550 112.550 114.972 -2.422 25454 2905 1 7 . 1 1 49 49 THR HA H 49 4.310 4.310 4.224 0.086 25454 2906 1 7 . 1 1 49 49 THR C C 49 177.306 177.306 176.371 0.935 25454 2907 1 7 . 1 1 49 49 THR CA C 49 64.520 64.520 66.073 -1.553 25454 2908 1 7 . 1 1 49 49 THR CB C 49 69.525 69.525 68.806 0.719 25454 2909 1 7 . 1 1 49 49 THR H H 49 7.743 7.743 7.746 -0.003 25454 2910 1 7 . 1 1 50 50 GLN N N 50 121.570 121.570 121.163 0.407 25454 2911 1 7 . 1 1 50 50 GLN HA H 50 4.344 4.344 4.231 0.113 25454 2912 1 7 . 1 1 50 50 GLN C C 50 178.308 178.308 178.282 0.026 25454 2913 1 7 . 1 1 50 50 GLN CA C 50 58.630 58.630 58.343 0.287 25454 2914 1 7 . 1 1 50 50 GLN CB C 50 30.850 30.850 28.745 2.105 25454 2915 1 7 . 1 1 50 50 GLN H H 50 8.519 8.519 8.050 0.469 25454 2916 1 7 . 1 1 51 51 ILE N N 51 120.320 120.320 121.325 -1.005 25454 2917 1 7 . 1 1 51 51 ILE HA H 51 3.573 3.573 4.001 -0.428 25454 2918 1 7 . 1 1 51 51 ILE CA C 51 69.155 69.155 66.310 2.845 25454 2919 1 7 . 1 1 51 51 ILE CB C 51 35.659 35.659 35.684 -0.025 25454 2920 1 7 . 1 1 51 51 ILE H H 51 8.663 8.663 8.777 -0.114 25454 2921 1 7 . 1 1 52 52 PRO HA H 52 4.301 4.301 4.303 -0.002 25454 2922 1 7 . 1 1 52 52 PRO C C 52 179.686 179.686 178.658 1.028 25454 2923 1 7 . 1 1 52 52 PRO CA C 52 66.190 66.190 65.413 0.777 25454 2924 1 7 . 1 1 52 52 PRO CB C 52 31.270 31.270 31.413 -0.143 25454 2925 1 7 . 1 1 53 53 LYS N N 53 116.520 116.520 118.451 -1.931 25454 2926 1 7 . 1 1 53 53 LYS HA H 53 4.231 4.231 4.210 0.021 25454 2927 1 7 . 1 1 53 53 LYS C C 53 179.475 179.475 179.183 0.292 25454 2928 1 7 . 1 1 53 53 LYS CA C 53 59.017 59.017 58.619 0.398 25454 2929 1 7 . 1 1 53 53 LYS CB C 53 31.796 31.796 31.924 -0.128 25454 2930 1 7 . 1 1 53 53 LYS H H 53 7.016 7.016 7.478 -0.462 25454 2931 1 7 . 1 1 54 54 VAL N N 54 125.220 125.220 114.813 10.407 25454 2932 1 7 . 1 1 54 54 VAL HA H 54 3.022 3.022 3.997 -0.975 25454 2933 1 7 . 1 1 54 54 VAL C C 54 177.692 177.692 176.822 0.870 25454 2934 1 7 . 1 1 54 54 VAL CA C 54 65.860 65.860 64.947 0.913 25454 2935 1 7 . 1 1 54 54 VAL CB C 54 30.623 30.623 31.704 -1.081 25454 2936 1 7 . 1 1 54 54 VAL H H 54 8.068 8.068 8.077 -0.009 25454 2937 1 7 . 1 1 55 55 ILE N N 55 119.943 119.943 119.220 0.723 25454 2938 1 7 . 1 1 55 55 ILE HA H 55 3.641 3.641 4.319 -0.678 25454 2939 1 7 . 1 1 55 55 ILE C C 55 177.515 177.515 177.701 -0.186 25454 2940 1 7 . 1 1 55 55 ILE CA C 55 66.896 66.896 63.869 3.027 25454 2941 1 7 . 1 1 55 55 ILE CB C 55 38.500 38.500 39.026 -0.526 25454 2942 1 7 . 1 1 55 55 ILE H H 55 7.589 7.589 7.438 0.151 25454 2943 1 7 . 1 1 56 56 GLU N N 56 118.310 118.310 121.106 -2.796 25454 2944 1 7 . 1 1 56 56 GLU HA H 56 4.010 4.010 4.025 -0.015 25454 2945 1 7 . 1 1 56 56 GLU C C 56 178.518 178.518 179.268 -0.750 25454 2946 1 7 . 1 1 56 56 GLU CA C 56 59.603 59.603 59.894 -0.291 25454 2947 1 7 . 1 1 56 56 GLU CB C 56 29.776 29.776 29.703 0.073 25454 2948 1 7 . 1 1 56 56 GLU H H 56 7.794 7.794 8.621 -0.827 25454 2949 1 7 . 1 1 57 57 TYR N N 57 120.510 120.510 119.371 1.139 25454 2950 1 7 . 1 1 57 57 TYR HA H 57 4.239 4.239 4.296 -0.057 25454 2951 1 7 . 1 1 57 57 TYR C C 57 178.919 178.919 177.684 1.235 25454 2952 1 7 . 1 1 57 57 TYR CA C 57 61.600 61.600 60.709 0.891 25454 2953 1 7 . 1 1 57 57 TYR CB C 57 39.060 39.060 38.094 0.966 25454 2954 1 7 . 1 1 57 57 TYR H H 57 8.495 8.495 8.622 -0.127 25454 2955 1 7 . 1 1 58 58 CYS N N 58 117.760 117.760 118.029 -0.269 25454 2956 1 7 . 1 1 58 58 CYS HA H 58 4.685 4.685 4.374 0.311 25454 2957 1 7 . 1 1 58 58 CYS C C 58 177.217 177.217 176.248 0.969 25454 2958 1 7 . 1 1 58 58 CYS CA C 58 52.020 52.020 61.142 -9.122 25454 2959 1 7 . 1 1 58 58 CYS CB C 58 31.667 31.667 27.147 4.520 25454 2960 1 7 . 1 1 58 58 CYS H H 58 8.672 8.672 7.984 0.688 25454 2961 1 7 . 1 1 59 59 LYS N N 59 120.550 120.550 119.784 0.766 25454 2962 1 7 . 1 1 59 59 LYS HA H 59 4.008 4.008 4.092 -0.084 25454 2963 1 7 . 1 1 59 59 LYS C C 59 179.247 179.247 178.367 0.880 25454 2964 1 7 . 1 1 59 59 LYS CA C 59 59.790 59.790 58.773 1.018 25454 2965 1 7 . 1 1 59 59 LYS CB C 59 32.800 32.800 31.906 0.894 25454 2966 1 7 . 1 1 59 59 LYS H H 59 8.481 8.481 8.319 0.162 25454 2967 1 7 . 1 1 60 60 LYS N N 60 116.830 116.830 118.079 -1.249 25454 2968 1 7 . 1 1 60 60 LYS HA H 60 4.166 4.166 4.193 -0.027 25454 2969 1 7 . 1 1 60 60 LYS C C 60 176.432 176.432 177.251 -0.819 25454 2970 1 7 . 1 1 60 60 LYS CA C 60 57.260 57.260 58.157 -0.897 25454 2971 1 7 . 1 1 60 60 LYS CB C 60 33.760 33.760 33.050 0.710 25454 2972 1 7 . 1 1 60 60 LYS H H 60 7.455 7.455 8.073 -0.618 25454 2973 1 7 . 1 1 61 61 ASN N N 61 117.140 117.140 116.947 0.193 25454 2974 1 7 . 1 1 61 61 ASN HA H 61 4.686 4.686 5.154 -0.468 25454 2975 1 7 . 1 1 61 61 ASN CA C 61 51.300 51.300 50.893 0.407 25454 2976 1 7 . 1 1 61 61 ASN CB C 61 40.208 40.208 38.327 1.881 25454 2977 1 7 . 1 1 61 61 ASN H H 61 7.368 7.368 7.650 -0.282 25454 2978 1 7 . 1 1 62 62 PRO HA H 62 4.227 4.227 4.413 -0.186 25454 2979 1 7 . 1 1 62 62 PRO C C 62 177.511 177.511 177.824 -0.313 25454 2980 1 7 . 1 1 62 62 PRO CA C 62 65.430 65.430 65.203 0.227 25454 2981 1 7 . 1 1 62 62 PRO CB C 62 31.800 31.800 32.054 -0.255 25454 2982 1 7 . 1 1 63 63 GLN N N 63 114.045 114.045 113.477 0.568 25454 2983 1 7 . 1 1 63 63 GLN HA H 63 4.450 4.450 4.182 0.268 25454 2984 1 7 . 1 1 63 63 GLN C C 63 177.766 177.766 176.490 1.276 25454 2985 1 7 . 1 1 63 63 GLN CA C 63 56.200 56.200 56.568 -0.368 25454 2986 1 7 . 1 1 63 63 GLN CB C 63 28.200 28.200 28.994 -0.794 25454 2987 1 7 . 1 1 63 63 GLN H H 63 8.578 8.578 8.231 0.347 25454 2988 1 7 . 1 1 64 64 LYS N N 64 119.960 119.960 120.299 -0.339 25454 2989 1 7 . 1 1 64 64 LYS HA H 64 4.452 4.452 4.233 0.219 25454 2990 1 7 . 1 1 64 64 LYS C C 64 176.151 176.151 175.282 0.869 25454 2991 1 7 . 1 1 64 64 LYS CA C 64 55.660 55.660 55.792 -0.132 25454 2992 1 7 . 1 1 64 64 LYS CB C 64 33.500 33.500 33.006 0.494 25454 2993 1 7 . 1 1 64 64 LYS H H 64 7.628 7.628 7.759 -0.131 25454 2994 1 7 . 1 1 65 65 ASN N N 65 120.139 120.139 118.314 1.825 25454 2995 1 7 . 1 1 65 65 ASN HA H 65 4.807 4.807 4.707 0.100 25454 2996 1 7 . 1 1 65 65 ASN CA C 65 54.070 54.070 52.461 1.609 25454 2997 1 7 . 1 1 65 65 ASN CB C 65 38.070 38.070 39.790 -1.720 25454 2998 1 7 . 1 1 65 65 ASN H H 65 8.936 8.936 8.472 0.464 25454 2999 1 7 . 1 1 66 66 LEU N N 66 129.960 129.960 128.916 1.044 25454 3000 1 7 . 1 1 66 66 LEU HA H 66 4.165 4.165 3.498 0.667 25454 3001 1 7 . 1 1 66 66 LEU C C 66 176.948 176.948 177.610 -0.662 25454 3002 1 7 . 1 1 66 66 LEU CA C 66 59.220 59.220 57.876 1.344 25454 3003 1 7 . 1 1 66 66 LEU CB C 66 42.830 42.830 42.046 0.784 25454 3004 1 7 . 1 1 66 66 LEU H H 66 8.939 8.939 8.407 0.532 25454 3005 1 7 . 1 1 67 67 TYR N N 67 115.770 115.770 115.372 0.398 25454 3006 1 7 . 1 1 67 67 TYR HA H 67 4.077 4.077 4.267 -0.190 25454 3007 1 7 . 1 1 67 67 TYR C C 67 178.731 178.731 177.772 0.959 25454 3008 1 7 . 1 1 67 67 TYR CA C 67 61.277 61.277 60.191 1.086 25454 3009 1 7 . 1 1 67 67 TYR CB C 67 36.768 36.768 38.019 -1.251 25454 3010 1 7 . 1 1 67 67 TYR H H 67 9.409 9.409 8.324 1.085 25454 3011 1 7 . 1 1 68 68 THR N N 68 112.470 112.470 116.516 -4.046 25454 3012 1 7 . 1 1 68 68 THR HA H 68 4.268 4.268 4.055 0.213 25454 3013 1 7 . 1 1 68 68 THR C C 68 176.104 176.104 176.718 -0.614 25454 3014 1 7 . 1 1 68 68 THR CA C 68 64.650 64.650 66.100 -1.450 25454 3015 1 7 . 1 1 68 68 THR CB C 68 70.268 70.268 68.314 1.954 25454 3016 1 7 . 1 1 68 68 THR H H 68 8.076 8.076 8.285 -0.209 25454 3017 1 7 . 1 1 69 69 PHE N N 69 123.660 123.660 120.677 2.983 25454 3018 1 7 . 1 1 69 69 PHE HA H 69 2.811 2.811 4.544 -1.733 25454 3019 1 7 . 1 1 69 69 PHE C C 69 176.290 176.290 176.454 -0.164 25454 3020 1 7 . 1 1 69 69 PHE CA C 69 61.510 61.510 57.114 4.396 25454 3021 1 7 . 1 1 69 69 PHE CB C 69 39.610 39.610 37.559 2.051 25454 3022 1 7 . 1 1 69 69 PHE H H 69 7.969 7.969 7.854 0.115 25454 3023 1 7 . 1 1 70 70 LYS N N 70 113.530 113.530 119.598 -6.068 25454 3024 1 7 . 1 1 70 70 LYS HA H 70 3.757 3.757 4.117 -0.360 25454 3025 1 7 . 1 1 70 70 LYS C C 70 176.269 176.269 178.625 -2.356 25454 3026 1 7 . 1 1 70 70 LYS CA C 70 57.840 57.840 57.498 0.342 25454 3027 1 7 . 1 1 70 70 LYS CB C 70 32.520 32.520 32.408 0.112 25454 3028 1 7 . 1 1 70 70 LYS H H 70 6.957 6.957 7.714 -0.757 25454 3029 1 7 . 1 1 71 71 ASN N N 71 117.360 117.360 117.540 -0.180 25454 3030 1 7 . 1 1 71 71 ASN HA H 71 4.652 4.652 4.551 0.101 25454 3031 1 7 . 1 1 71 71 ASN C C 71 175.155 175.155 176.381 -1.226 25454 3032 1 7 . 1 1 71 71 ASN CA C 71 53.273 53.273 54.959 -1.686 25454 3033 1 7 . 1 1 71 71 ASN CB C 71 38.870 38.870 38.245 0.625 25454 3034 1 7 . 1 1 71 71 ASN H H 71 7.488 7.488 7.957 -0.469 25454 3035 1 7 . 1 1 72 72 GLN N N 72 119.610 119.610 116.289 3.321 25454 3036 1 7 . 1 1 72 72 GLN HA H 72 4.202 4.202 4.252 -0.050 25454 3037 1 7 . 1 1 72 72 GLN C C 72 179.467 179.467 176.144 3.323 25454 3038 1 7 . 1 1 72 72 GLN CA C 72 56.160 56.160 56.329 -0.169 25454 3039 1 7 . 1 1 72 72 GLN CB C 72 29.460 29.460 28.991 0.469 25454 3040 1 7 . 1 1 72 72 GLN H H 72 7.611 7.611 7.968 -0.357 25454 3041 1 7 . 1 1 73 73 ALA N N 73 125.130 125.130 123.956 1.174 25454 3042 1 7 . 1 1 73 73 ALA HA H 73 4.198 4.198 4.517 -0.319 25454 3043 1 7 . 1 1 73 73 ALA C C 73 177.907 177.907 175.566 2.341 25454 3044 1 7 . 1 1 73 73 ALA CA C 73 52.761 52.761 51.546 1.215 25454 3045 1 7 . 1 1 73 73 ALA CB C 73 19.028 19.028 19.617 -0.589 25454 3046 1 7 . 1 1 73 73 ALA H H 73 8.072 8.072 7.384 0.688 25454 3047 1 7 . 1 1 74 74 SER N N 74 115.100 115.100 119.226 -4.126 25454 3048 1 7 . 1 1 74 74 SER HA H 74 4.344 4.344 4.689 -0.345 25454 3049 1 7 . 1 1 74 74 SER C C 74 174.562 174.562 173.706 0.856 25454 3050 1 7 . 1 1 74 74 SER CA C 74 58.640 58.640 58.148 0.492 25454 3051 1 7 . 1 1 74 74 SER CB C 74 63.660 63.660 64.392 -0.732 25454 3052 1 7 . 1 1 74 74 SER H H 74 8.114 8.114 8.765 -0.651 25454 3053 1 7 . 1 1 75 75 ASN N N 75 120.950 120.950 122.659 -1.709 25454 3054 1 7 . 1 1 75 75 ASN HA H 75 4.698 4.698 4.734 -0.036 25454 3055 1 7 . 1 1 75 75 ASN C C 75 174.790 174.790 175.212 -0.422 25454 3056 1 7 . 1 1 75 75 ASN CA C 75 53.340 53.340 54.647 -1.307 25454 3057 1 7 . 1 1 75 75 ASN CB C 75 38.980 38.980 39.087 -0.107 25454 3058 1 7 . 1 1 75 75 ASN H H 75 8.283 8.283 8.698 -0.415 25454 3059 1 7 . 1 1 76 76 ASP N N 76 120.550 120.550 120.423 0.127 25454 3060 1 7 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.481 0.122 25454 3061 1 7 . 1 1 76 76 ASP C C 76 175.588 175.588 174.694 0.894 25454 3062 1 7 . 1 1 76 76 ASP CA C 76 53.940 53.940 54.230 -0.290 25454 3063 1 7 . 1 1 76 76 ASP CB C 76 40.510 40.510 41.193 -0.683 25454 3064 1 7 . 1 1 76 76 ASP H H 76 8.201 8.201 8.371 -0.170 25454 3065 1 7 . 1 1 77 77 LEU N N 77 123.780 123.780 115.399 8.381 25454 3066 1 7 . 1 1 77 77 LEU HA H 77 4.600 4.600 4.643 -0.043 25454 3067 1 7 . 1 1 77 77 LEU CA C 77 52.980 52.980 52.026 0.954 25454 3068 1 7 . 1 1 77 77 LEU CB C 77 41.850 41.850 43.538 -1.688 25454 3069 1 7 . 1 1 77 77 LEU H H 77 8.021 8.021 7.163 0.858 25454 3070 1 7 . 1 1 78 78 PRO HA H 78 4.417 4.417 4.477 -0.060 25454 3071 1 7 . 1 1 78 78 PRO C C 78 176.058 176.058 176.918 -0.860 25454 3072 1 7 . 1 1 78 78 PRO CA C 78 63.260 63.260 62.425 0.835 25454 3073 1 7 . 1 1 78 78 PRO CB C 78 31.956 31.956 32.004 -0.048 25454 3074 1 8 . 1 1 2 2 ASN N N 2 118.440 118.440 117.635 0.805 25454 3075 1 8 . 1 1 2 2 ASN HA H 2 4.660 4.660 4.617 0.043 25454 3076 1 8 . 1 1 2 2 ASN C C 2 174.884 174.884 174.951 -0.067 25454 3077 1 8 . 1 1 2 2 ASN CA C 2 53.730 53.730 54.219 -0.489 25454 3078 1 8 . 1 1 2 2 ASN CB C 2 38.500 38.500 38.163 0.337 25454 3079 1 8 . 1 1 2 2 ASN H H 2 8.869 8.869 8.953 -0.084 25454 3080 1 8 . 1 1 3 3 GLU N N 3 121.390 121.390 120.609 0.781 25454 3081 1 8 . 1 1 3 3 GLU HA H 3 4.416 4.416 4.353 0.063 25454 3082 1 8 . 1 1 3 3 GLU C C 3 175.916 175.916 176.261 -0.345 25454 3083 1 8 . 1 1 3 3 GLU CA C 3 56.300 56.300 56.465 -0.165 25454 3084 1 8 . 1 1 3 3 GLU CB C 3 29.810 29.810 30.510 -0.700 25454 3085 1 8 . 1 1 3 3 GLU H H 3 8.560 8.560 8.364 0.196 25454 3086 1 8 . 1 1 4 4 SER N N 4 118.190 118.190 115.635 2.555 25454 3087 1 8 . 1 1 4 4 SER HA H 4 4.716 4.716 4.600 0.116 25454 3088 1 8 . 1 1 4 4 SER C C 4 175.686 175.686 174.011 1.675 25454 3089 1 8 . 1 1 4 4 SER CA C 4 57.890 57.890 56.526 1.364 25454 3090 1 8 . 1 1 4 4 SER CB C 4 65.080 65.080 63.389 1.690 25454 3091 1 8 . 1 1 4 4 SER H H 4 8.802 8.802 8.355 0.447 25454 3092 1 8 . 1 1 5 5 ALA N N 5 128.990 128.990 129.155 -0.165 25454 3093 1 8 . 1 1 5 5 ALA HA H 5 4.142 4.142 4.203 -0.061 25454 3094 1 8 . 1 1 5 5 ALA C C 5 179.112 179.112 179.259 -0.147 25454 3095 1 8 . 1 1 5 5 ALA CA C 5 55.880 55.880 54.252 1.628 25454 3096 1 8 . 1 1 5 5 ALA CB C 5 18.110 18.110 19.175 -1.065 25454 3097 1 8 . 1 1 5 5 ALA H H 5 8.992 8.992 8.991 0.001 25454 3098 1 8 . 1 1 6 6 LYS N N 6 114.810 114.810 115.993 -1.183 25454 3099 1 8 . 1 1 6 6 LYS HA H 6 3.221 3.221 2.601 0.620 25454 3100 1 8 . 1 1 6 6 LYS C C 6 177.448 177.448 176.776 0.672 25454 3101 1 8 . 1 1 6 6 LYS CA C 6 57.740 57.740 58.248 -0.507 25454 3102 1 8 . 1 1 6 6 LYS CB C 6 31.830 31.830 31.979 -0.149 25454 3103 1 8 . 1 1 6 6 LYS H H 6 7.776 7.776 7.813 -0.037 25454 3104 1 8 . 1 1 7 7 ASP N N 7 119.190 119.190 116.069 3.121 25454 3105 1 8 . 1 1 7 7 ASP HA H 7 4.748 4.748 4.816 -0.068 25454 3106 1 8 . 1 1 7 7 ASP C C 7 176.254 176.254 175.213 1.041 25454 3107 1 8 . 1 1 7 7 ASP CA C 7 53.800 53.800 52.578 1.222 25454 3108 1 8 . 1 1 7 7 ASP CB C 7 41.560 41.560 41.535 0.025 25454 3109 1 8 . 1 1 7 7 ASP H H 7 7.744 7.744 7.723 0.021 25454 3110 1 8 . 1 1 8 8 MET N N 8 122.540 122.540 121.203 1.337 25454 3111 1 8 . 1 1 8 8 MET HA H 8 4.502 4.502 4.408 0.094 25454 3112 1 8 . 1 1 8 8 MET C C 8 176.932 176.932 175.660 1.272 25454 3113 1 8 . 1 1 8 8 MET CA C 8 56.390 56.390 56.493 -0.103 25454 3114 1 8 . 1 1 8 8 MET CB C 8 35.300 35.300 33.201 2.099 25454 3115 1 8 . 1 1 8 8 MET H H 8 7.925 7.925 7.357 0.568 25454 3116 1 8 . 1 1 9 9 THR N N 9 121.410 121.410 121.811 -0.401 25454 3117 1 8 . 1 1 9 9 THR HA H 9 4.794 4.794 4.334 0.460 25454 3118 1 8 . 1 1 9 9 THR C C 9 176.198 176.198 175.166 1.032 25454 3119 1 8 . 1 1 9 9 THR CA C 9 61.960 61.960 62.478 -0.518 25454 3120 1 8 . 1 1 9 9 THR CB C 9 72.200 72.200 70.349 1.851 25454 3121 1 8 . 1 1 9 9 THR H H 9 9.927 9.927 8.212 1.715 25454 3122 1 8 . 1 1 10 10 CYS N N 10 121.150 121.150 125.388 -4.238 25454 3123 1 8 . 1 1 10 10 CYS HA H 10 4.685 4.685 4.248 0.437 25454 3124 1 8 . 1 1 10 10 CYS C C 10 177.324 177.324 177.118 0.206 25454 3125 1 8 . 1 1 10 10 CYS CA C 10 56.970 56.970 62.507 -5.537 25454 3126 1 8 . 1 1 10 10 CYS CB C 10 32.440 32.440 25.869 6.571 25454 3127 1 8 . 1 1 10 10 CYS H H 10 9.765 9.765 8.815 0.950 25454 3128 1 8 . 1 1 11 11 GLN N N 11 121.360 121.360 119.701 1.659 25454 3129 1 8 . 1 1 11 11 GLN HA H 11 3.894 3.894 4.101 -0.207 25454 3130 1 8 . 1 1 11 11 GLN C C 11 176.902 176.902 177.614 -0.712 25454 3131 1 8 . 1 1 11 11 GLN CA C 11 58.680 58.680 58.513 0.167 25454 3132 1 8 . 1 1 11 11 GLN CB C 11 28.900 28.900 28.169 0.730 25454 3133 1 8 . 1 1 11 11 GLN H H 11 8.583 8.583 8.417 0.166 25454 3134 1 8 . 1 1 12 12 GLU N N 12 117.090 117.090 119.319 -2.229 25454 3135 1 8 . 1 1 12 12 GLU HA H 12 3.983 3.983 4.156 -0.173 25454 3136 1 8 . 1 1 12 12 GLU C C 12 179.763 179.763 178.956 0.807 25454 3137 1 8 . 1 1 12 12 GLU CA C 12 59.528 59.528 57.750 1.778 25454 3138 1 8 . 1 1 12 12 GLU CB C 12 31.830 31.830 29.906 1.924 25454 3139 1 8 . 1 1 12 12 GLU H H 12 7.867 7.867 7.694 0.173 25454 3140 1 8 . 1 1 13 13 PHE N N 13 119.630 119.630 122.478 -2.848 25454 3141 1 8 . 1 1 13 13 PHE HA H 13 4.269 4.269 4.245 0.024 25454 3142 1 8 . 1 1 13 13 PHE C C 13 176.432 176.432 178.024 -1.592 25454 3143 1 8 . 1 1 13 13 PHE CA C 13 61.150 61.150 61.314 -0.164 25454 3144 1 8 . 1 1 13 13 PHE CB C 13 39.520 39.520 39.592 -0.072 25454 3145 1 8 . 1 1 13 13 PHE H H 13 8.182 8.182 8.638 -0.456 25454 3146 1 8 . 1 1 14 14 ILE N N 14 114.180 114.180 113.987 0.193 25454 3147 1 8 . 1 1 14 14 ILE HA H 14 3.761 3.761 3.737 0.024 25454 3148 1 8 . 1 1 14 14 ILE C C 14 177.089 177.089 175.954 1.135 25454 3149 1 8 . 1 1 14 14 ILE CA C 14 63.030 63.030 63.261 -0.231 25454 3150 1 8 . 1 1 14 14 ILE CB C 14 36.740 36.740 37.192 -0.452 25454 3151 1 8 . 1 1 14 14 ILE H H 14 8.191 8.191 8.126 0.065 25454 3152 1 8 . 1 1 15 15 ASP N N 15 120.260 120.260 119.318 0.942 25454 3153 1 8 . 1 1 15 15 ASP HA H 15 4.716 4.716 4.710 0.006 25454 3154 1 8 . 1 1 15 15 ASP C C 15 174.697 174.697 176.316 -1.619 25454 3155 1 8 . 1 1 15 15 ASP CA C 15 54.080 54.080 53.806 0.274 25454 3156 1 8 . 1 1 15 15 ASP CB C 15 40.810 40.810 42.368 -1.558 25454 3157 1 8 . 1 1 15 15 ASP H H 15 7.478 7.478 7.709 -0.231 25454 3158 1 8 . 1 1 16 16 LEU N N 16 122.985 122.985 119.483 3.502 25454 3159 1 8 . 1 1 16 16 LEU HA H 16 4.067 4.067 4.348 -0.281 25454 3160 1 8 . 1 1 16 16 LEU C C 16 176.710 176.710 176.218 0.492 25454 3161 1 8 . 1 1 16 16 LEU CA C 16 55.028 55.028 55.078 -0.050 25454 3162 1 8 . 1 1 16 16 LEU CB C 16 43.370 43.370 42.696 0.674 25454 3163 1 8 . 1 1 16 16 LEU H H 16 7.226 7.226 7.390 -0.164 25454 3164 1 8 . 1 1 17 17 ASN N N 17 119.620 119.620 119.473 0.147 25454 3165 1 8 . 1 1 17 17 ASN HA H 17 4.634 4.634 4.788 -0.154 25454 3166 1 8 . 1 1 17 17 ASN CA C 17 52.048 52.048 51.333 0.715 25454 3167 1 8 . 1 1 17 17 ASN CB C 17 39.480 39.480 38.644 0.836 25454 3168 1 8 . 1 1 17 17 ASN H H 17 7.265 7.265 8.394 -1.129 25454 3169 1 8 . 1 1 18 18 PRO HA H 18 4.137 4.137 4.166 -0.029 25454 3170 1 8 . 1 1 18 18 PRO C C 18 179.247 179.247 177.846 1.401 25454 3171 1 8 . 1 1 18 18 PRO CA C 18 65.370 65.370 64.618 0.752 25454 3172 1 8 . 1 1 18 18 PRO CB C 18 32.610 32.610 31.947 0.663 25454 3173 1 8 . 1 1 19 19 LYS N N 19 116.450 116.450 119.013 -2.563 25454 3174 1 8 . 1 1 19 19 LYS HA H 19 3.856 3.856 3.966 -0.110 25454 3175 1 8 . 1 1 19 19 LYS C C 19 176.995 176.995 178.928 -1.933 25454 3176 1 8 . 1 1 19 19 LYS CA C 19 59.080 59.080 59.604 -0.524 25454 3177 1 8 . 1 1 19 19 LYS CB C 19 34.940 34.940 32.014 2.926 25454 3178 1 8 . 1 1 19 19 LYS H H 19 8.445 8.445 8.857 -0.412 25454 3179 1 8 . 1 1 20 20 ALA N N 20 116.170 116.170 121.275 -5.105 25454 3180 1 8 . 1 1 20 20 ALA HA H 20 4.255 4.255 4.369 -0.114 25454 3181 1 8 . 1 1 20 20 ALA C C 20 177.511 177.511 179.334 -1.823 25454 3182 1 8 . 1 1 20 20 ALA CA C 20 51.640 51.640 53.759 -2.119 25454 3183 1 8 . 1 1 20 20 ALA CB C 20 21.660 21.660 18.013 3.647 25454 3184 1 8 . 1 1 20 20 ALA H H 20 8.400 8.400 7.774 0.626 25454 3185 1 8 . 1 1 21 21 MET N N 21 117.850 117.850 119.224 -1.374 25454 3186 1 8 . 1 1 21 21 MET HA H 21 3.645 3.645 4.029 -0.384 25454 3187 1 8 . 1 1 21 21 MET C C 21 177.511 177.511 177.451 0.060 25454 3188 1 8 . 1 1 21 21 MET CA C 21 61.418 61.418 59.851 1.567 25454 3189 1 8 . 1 1 21 21 MET CB C 21 33.220 33.220 32.656 0.565 25454 3190 1 8 . 1 1 21 21 MET H H 21 7.206 7.206 8.248 -1.042 25454 3191 1 8 . 1 1 22 22 THR N N 22 114.690 114.690 115.393 -0.703 25454 3192 1 8 . 1 1 22 22 THR HA H 22 4.115 4.115 4.326 -0.211 25454 3193 1 8 . 1 1 22 22 THR CA C 22 69.550 69.550 68.278 1.272 25454 3194 1 8 . 1 1 22 22 THR CB C 22 65.700 65.700 66.295 -0.595 25454 3195 1 8 . 1 1 22 22 THR H H 22 8.695 8.695 7.821 0.874 25454 3196 1 8 . 1 1 23 23 PRO HA H 23 3.550 3.550 4.283 -0.733 25454 3197 1 8 . 1 1 23 23 PRO C C 23 178.637 178.637 178.862 -0.225 25454 3198 1 8 . 1 1 23 23 PRO CA C 23 65.770 65.770 65.968 -0.198 25454 3199 1 8 . 1 1 23 23 PRO CB C 23 31.182 31.182 31.075 0.107 25454 3200 1 8 . 1 1 24 24 VAL N N 24 115.820 115.820 118.448 -2.628 25454 3201 1 8 . 1 1 24 24 VAL HA H 24 3.675 3.675 3.982 -0.307 25454 3202 1 8 . 1 1 24 24 VAL C C 24 177.464 177.464 177.645 -0.181 25454 3203 1 8 . 1 1 24 24 VAL CA C 24 67.490 67.490 65.372 2.118 25454 3204 1 8 . 1 1 24 24 VAL CB C 24 31.970 31.970 31.890 0.080 25454 3205 1 8 . 1 1 24 24 VAL H H 24 7.441 7.441 7.606 -0.165 25454 3206 1 8 . 1 1 25 25 ALA N N 25 122.670 122.670 122.857 -0.187 25454 3207 1 8 . 1 1 25 25 ALA HA H 25 3.783 3.783 4.051 -0.268 25454 3208 1 8 . 1 1 25 25 ALA C C 25 178.497 178.497 178.995 -0.498 25454 3209 1 8 . 1 1 25 25 ALA CA C 25 55.620 55.620 55.391 0.229 25454 3210 1 8 . 1 1 25 25 ALA CB C 25 18.852 18.852 18.314 0.538 25454 3211 1 8 . 1 1 25 25 ALA H H 25 8.805 8.805 8.613 0.192 25454 3212 1 8 . 1 1 26 26 TRP N N 26 118.270 118.270 121.413 -3.143 25454 3213 1 8 . 1 1 26 26 TRP HA H 26 3.709 3.709 4.453 -0.744 25454 3214 1 8 . 1 1 26 26 TRP C C 26 178.309 178.309 177.522 0.787 25454 3215 1 8 . 1 1 26 26 TRP CA C 26 63.940 63.940 60.498 3.442 25454 3216 1 8 . 1 1 26 26 TRP CB C 26 29.740 29.740 29.886 -0.146 25454 3217 1 8 . 1 1 26 26 TRP H H 26 9.181 9.181 8.370 0.811 25454 3218 1 8 . 1 1 27 27 TRP N N 27 119.740 119.740 121.640 -1.900 25454 3219 1 8 . 1 1 27 27 TRP HA H 27 4.118 4.118 3.595 0.522 25454 3220 1 8 . 1 1 27 27 TRP C C 27 177.511 177.511 177.715 -0.204 25454 3221 1 8 . 1 1 27 27 TRP CA C 27 60.588 60.588 58.588 2.000 25454 3222 1 8 . 1 1 27 27 TRP CB C 27 30.021 30.021 29.145 0.876 25454 3223 1 8 . 1 1 27 27 TRP H H 27 8.527 8.527 8.877 -0.350 25454 3224 1 8 . 1 1 28 28 MET N N 28 119.130 119.130 118.185 0.945 25454 3225 1 8 . 1 1 28 28 MET HA H 28 3.618 3.618 3.511 0.107 25454 3226 1 8 . 1 1 28 28 MET C C 28 177.587 177.587 177.564 0.023 25454 3227 1 8 . 1 1 28 28 MET CA C 28 58.540 58.540 57.917 0.623 25454 3228 1 8 . 1 1 28 28 MET CB C 28 29.392 29.392 31.615 -2.223 25454 3229 1 8 . 1 1 28 28 MET H H 28 7.756 7.756 7.464 0.292 25454 3230 1 8 . 1 1 29 29 LEU N N 29 117.820 117.820 116.129 1.691 25454 3231 1 8 . 1 1 29 29 LEU HA H 29 3.559 3.559 4.037 -0.478 25454 3232 1 8 . 1 1 29 29 LEU C C 29 179.417 179.417 177.915 1.502 25454 3233 1 8 . 1 1 29 29 LEU CA C 29 57.043 57.043 56.806 0.236 25454 3234 1 8 . 1 1 29 29 LEU CB C 29 42.676 42.676 42.188 0.488 25454 3235 1 8 . 1 1 29 29 LEU H H 29 7.838 7.838 7.232 0.606 25454 3236 1 8 . 1 1 30 30 HIS N N 30 113.790 113.790 116.024 -2.234 25454 3237 1 8 . 1 1 30 30 HIS HA H 30 4.059 4.059 4.912 -0.853 25454 3238 1 8 . 1 1 30 30 HIS C C 30 176.289 176.289 174.234 2.055 25454 3239 1 8 . 1 1 30 30 HIS CA C 30 56.030 56.030 53.188 2.841 25454 3240 1 8 . 1 1 30 30 HIS CB C 30 29.216 29.216 28.269 0.947 25454 3241 1 8 . 1 1 30 30 HIS H H 30 7.757 7.757 7.840 -0.083 25454 3242 1 8 . 1 1 31 31 GLU N N 31 125.870 125.870 124.331 1.539 25454 3243 1 8 . 1 1 31 31 GLU HA H 31 4.450 4.450 4.258 0.192 25454 3244 1 8 . 1 1 31 31 GLU C C 31 176.775 176.775 177.277 -0.502 25454 3245 1 8 . 1 1 31 31 GLU CA C 31 56.160 56.160 57.219 -1.059 25454 3246 1 8 . 1 1 31 31 GLU CB C 31 28.386 28.386 30.404 -2.018 25454 3247 1 8 . 1 1 31 31 GLU H H 31 8.916 8.916 8.412 0.504 25454 3248 1 8 . 1 1 32 32 GLU N N 32 116.185 116.185 122.420 -6.235 25454 3249 1 8 . 1 1 32 32 GLU HA H 32 3.563 3.563 4.177 -0.614 25454 3250 1 8 . 1 1 32 32 GLU C C 32 174.994 174.994 177.673 -2.679 25454 3251 1 8 . 1 1 32 32 GLU CA C 32 58.090 58.090 58.175 -0.085 25454 3252 1 8 . 1 1 32 32 GLU CB C 32 26.783 26.783 28.744 -1.961 25454 3253 1 8 . 1 1 32 32 GLU H H 32 9.330 9.330 8.690 0.640 25454 3254 1 8 . 1 1 33 33 THR N N 33 110.202 110.202 112.993 -2.791 25454 3255 1 8 . 1 1 33 33 THR HA H 33 4.696 4.696 4.166 0.530 25454 3256 1 8 . 1 1 33 33 THR C C 33 173.529 173.529 174.188 -0.659 25454 3257 1 8 . 1 1 33 33 THR CA C 33 60.129 60.129 61.836 -1.707 25454 3258 1 8 . 1 1 33 33 THR CB C 33 71.864 71.864 67.246 4.618 25454 3259 1 8 . 1 1 33 33 THR H H 33 7.620 7.620 7.880 -0.261 25454 3260 1 8 . 1 1 34 34 VAL N N 34 121.967 121.967 120.247 1.720 25454 3261 1 8 . 1 1 34 34 VAL HA H 34 4.139 4.139 3.383 0.756 25454 3262 1 8 . 1 1 34 34 VAL C C 34 172.579 172.579 174.520 -1.941 25454 3263 1 8 . 1 1 34 34 VAL CA C 34 63.032 63.032 62.892 0.140 25454 3264 1 8 . 1 1 34 34 VAL CB C 34 32.594 32.594 31.825 0.769 25454 3265 1 8 . 1 1 34 34 VAL H H 34 8.308 8.308 7.521 0.787 25454 3266 1 8 . 1 1 35 35 TYR N N 35 129.550 129.550 124.229 5.321 25454 3267 1 8 . 1 1 35 35 TYR HA H 35 4.562 4.562 4.545 0.017 25454 3268 1 8 . 1 1 35 35 TYR CA C 35 58.660 58.660 57.213 1.447 25454 3269 1 8 . 1 1 35 35 TYR CB C 35 39.520 39.520 38.787 0.733 25454 3270 1 8 . 1 1 35 35 TYR H H 35 8.610 8.610 8.210 0.400 25454 3271 1 8 . 1 1 36 36 LYS N N 36 129.360 129.360 121.765 7.595 25454 3272 1 8 . 1 1 36 36 LYS HA H 36 4.411 4.411 4.529 -0.118 25454 3273 1 8 . 1 1 36 36 LYS CA C 36 55.626 55.626 56.279 -0.653 25454 3274 1 8 . 1 1 36 36 LYS CB C 36 32.790 32.790 32.893 -0.103 25454 3275 1 8 . 1 1 36 36 LYS H H 36 8.509 8.509 8.770 -0.261 25454 3276 1 8 . 1 1 37 37 GLY N N 37 109.150 109.150 107.121 2.029 25454 3277 1 8 . 1 1 37 37 GLY C C 37 174.428 174.428 174.461 -0.033 25454 3278 1 8 . 1 1 37 37 GLY CA C 37 46.427 46.427 45.625 0.802 25454 3279 1 8 . 1 1 37 37 GLY H H 37 6.819 6.819 8.661 -1.842 25454 3280 1 8 . 1 1 38 38 GLY N N 38 110.780 110.780 108.202 2.578 25454 3281 1 8 . 1 1 38 38 GLY C C 38 174.108 174.108 172.011 2.097 25454 3282 1 8 . 1 1 38 38 GLY CA C 38 44.972 44.972 45.443 -0.471 25454 3283 1 8 . 1 1 38 38 GLY H H 38 8.365 8.365 7.708 0.657 25454 3284 1 8 . 1 1 39 39 ASP N N 39 120.800 120.800 117.903 2.897 25454 3285 1 8 . 1 1 39 39 ASP HA H 39 4.789 4.789 4.887 -0.098 25454 3286 1 8 . 1 1 39 39 ASP C C 39 177.820 177.820 177.718 0.102 25454 3287 1 8 . 1 1 39 39 ASP CA C 39 55.340 55.340 53.649 1.691 25454 3288 1 8 . 1 1 39 39 ASP CB C 39 41.150 41.150 40.630 0.520 25454 3289 1 8 . 1 1 39 39 ASP H H 39 8.476 8.476 8.359 0.117 25454 3290 1 8 . 1 1 40 40 THR N N 40 111.201 111.201 115.633 -4.432 25454 3291 1 8 . 1 1 40 40 THR HA H 40 3.753 3.753 4.050 -0.297 25454 3292 1 8 . 1 1 40 40 THR C C 40 175.526 175.526 175.460 0.066 25454 3293 1 8 . 1 1 40 40 THR CA C 40 60.300 60.300 62.529 -2.229 25454 3294 1 8 . 1 1 40 40 THR CB C 40 71.278 71.278 66.962 4.316 25454 3295 1 8 . 1 1 40 40 THR H H 40 8.132 8.132 7.780 0.352 25454 3296 1 8 . 1 1 41 41 VAL N N 41 125.014 125.014 116.692 8.322 25454 3297 1 8 . 1 1 41 41 VAL HA H 41 3.831 3.831 4.434 -0.603 25454 3298 1 8 . 1 1 41 41 VAL C C 41 174.100 174.100 176.783 -2.683 25454 3299 1 8 . 1 1 41 41 VAL CA C 41 63.988 63.988 63.475 0.513 25454 3300 1 8 . 1 1 41 41 VAL CB C 41 30.465 30.465 31.883 -1.418 25454 3301 1 8 . 1 1 41 41 VAL H H 41 8.278 8.278 7.757 0.521 25454 3302 1 8 . 1 1 42 42 THR N N 42 121.970 121.970 115.254 6.716 25454 3303 1 8 . 1 1 42 42 THR HA H 42 4.603 4.603 4.184 0.419 25454 3304 1 8 . 1 1 42 42 THR C C 42 172.978 172.978 174.434 -1.456 25454 3305 1 8 . 1 1 42 42 THR CA C 42 60.166 60.166 63.430 -3.264 25454 3306 1 8 . 1 1 42 42 THR CB C 42 70.588 70.588 69.648 0.940 25454 3307 1 8 . 1 1 42 42 THR H H 42 7.849 7.849 7.692 0.157 25454 3308 1 8 . 1 1 43 43 LEU N N 43 122.979 122.979 123.915 -0.936 25454 3309 1 8 . 1 1 43 43 LEU HA H 43 5.041 5.041 4.571 0.470 25454 3310 1 8 . 1 1 43 43 LEU CA C 43 55.072 55.072 54.898 0.174 25454 3311 1 8 . 1 1 43 43 LEU CB C 43 42.661 42.661 42.700 -0.039 25454 3312 1 8 . 1 1 43 43 LEU H H 43 8.310 8.310 8.417 -0.107 25454 3313 1 8 . 1 1 44 44 ASN N N 44 124.579 124.579 118.839 5.740 25454 3314 1 8 . 1 1 44 44 ASN HA H 44 5.135 5.135 4.841 0.294 25454 3315 1 8 . 1 1 44 44 ASN C C 44 175.736 175.736 175.052 0.684 25454 3316 1 8 . 1 1 44 44 ASN CA C 44 50.814 50.814 51.904 -1.090 25454 3317 1 8 . 1 1 44 44 ASN CB C 44 40.280 40.280 40.189 0.091 25454 3318 1 8 . 1 1 44 44 ASN H H 44 9.542 9.542 7.899 1.643 25454 3319 1 8 . 1 1 45 45 GLU N N 45 118.210 118.210 118.722 -0.512 25454 3320 1 8 . 1 1 45 45 GLU HA H 45 4.088 4.088 4.082 0.006 25454 3321 1 8 . 1 1 45 45 GLU C C 45 179.010 179.010 178.284 0.726 25454 3322 1 8 . 1 1 45 45 GLU CA C 45 60.349 60.349 59.941 0.408 25454 3323 1 8 . 1 1 45 45 GLU CB C 45 28.908 28.908 29.373 -0.465 25454 3324 1 8 . 1 1 45 45 GLU H H 45 8.752 8.752 8.892 -0.140 25454 3325 1 8 . 1 1 46 46 THR N N 46 116.430 116.430 117.798 -1.368 25454 3326 1 8 . 1 1 46 46 THR HA H 46 4.114 4.114 3.972 0.142 25454 3327 1 8 . 1 1 46 46 THR C C 46 176.994 176.994 176.002 0.992 25454 3328 1 8 . 1 1 46 46 THR CA C 46 66.260 66.260 67.515 -1.255 25454 3329 1 8 . 1 1 46 46 THR CB C 46 68.270 68.270 68.670 -0.400 25454 3330 1 8 . 1 1 46 46 THR H H 46 8.043 8.043 7.783 0.260 25454 3331 1 8 . 1 1 47 47 ASP N N 47 124.380 124.380 122.335 2.045 25454 3332 1 8 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.408 -0.064 25454 3333 1 8 . 1 1 47 47 ASP C C 47 178.914 178.914 178.431 0.483 25454 3334 1 8 . 1 1 47 47 ASP CA C 47 58.630 58.630 57.523 1.107 25454 3335 1 8 . 1 1 47 47 ASP CB C 47 42.350 42.350 40.942 1.408 25454 3336 1 8 . 1 1 47 47 ASP H H 47 8.475 8.475 8.566 -0.091 25454 3337 1 8 . 1 1 48 48 LEU N N 48 116.889 116.889 118.741 -1.852 25454 3338 1 8 . 1 1 48 48 LEU HA H 48 4.118 4.118 4.088 0.030 25454 3339 1 8 . 1 1 48 48 LEU C C 48 175.839 175.839 179.253 -3.414 25454 3340 1 8 . 1 1 48 48 LEU CA C 48 57.432 57.432 57.867 -0.435 25454 3341 1 8 . 1 1 48 48 LEU CB C 48 41.430 41.430 42.023 -0.593 25454 3342 1 8 . 1 1 48 48 LEU H H 48 8.082 8.082 8.403 -0.321 25454 3343 1 8 . 1 1 49 49 THR N N 49 112.550 112.550 115.019 -2.469 25454 3344 1 8 . 1 1 49 49 THR HA H 49 4.310 4.310 4.109 0.201 25454 3345 1 8 . 1 1 49 49 THR C C 49 177.306 177.306 176.494 0.812 25454 3346 1 8 . 1 1 49 49 THR CA C 49 64.520 64.520 66.120 -1.600 25454 3347 1 8 . 1 1 49 49 THR CB C 49 69.525 69.525 68.920 0.605 25454 3348 1 8 . 1 1 49 49 THR H H 49 7.743 7.743 7.900 -0.157 25454 3349 1 8 . 1 1 50 50 GLN N N 50 121.570 121.570 120.483 1.087 25454 3350 1 8 . 1 1 50 50 GLN HA H 50 4.344 4.344 4.245 0.099 25454 3351 1 8 . 1 1 50 50 GLN C C 50 178.308 178.308 178.312 -0.004 25454 3352 1 8 . 1 1 50 50 GLN CA C 50 58.630 58.630 57.836 0.794 25454 3353 1 8 . 1 1 50 50 GLN CB C 50 30.850 30.850 28.275 2.575 25454 3354 1 8 . 1 1 50 50 GLN H H 50 8.519 8.519 8.190 0.329 25454 3355 1 8 . 1 1 51 51 ILE N N 51 120.320 120.320 120.535 -0.215 25454 3356 1 8 . 1 1 51 51 ILE HA H 51 3.573 3.573 3.978 -0.405 25454 3357 1 8 . 1 1 51 51 ILE CA C 51 69.155 69.155 64.698 4.457 25454 3358 1 8 . 1 1 51 51 ILE CB C 51 35.659 35.659 34.414 1.245 25454 3359 1 8 . 1 1 51 51 ILE H H 51 8.663 8.663 8.296 0.367 25454 3360 1 8 . 1 1 52 52 PRO HA H 52 4.301 4.301 4.320 -0.019 25454 3361 1 8 . 1 1 52 52 PRO C C 52 179.686 179.686 178.744 0.942 25454 3362 1 8 . 1 1 52 52 PRO CA C 52 66.190 66.190 65.551 0.639 25454 3363 1 8 . 1 1 52 52 PRO CB C 52 31.270 31.270 31.383 -0.113 25454 3364 1 8 . 1 1 53 53 LYS N N 53 116.520 116.520 118.376 -1.856 25454 3365 1 8 . 1 1 53 53 LYS HA H 53 4.231 4.231 4.229 0.002 25454 3366 1 8 . 1 1 53 53 LYS C C 53 179.475 179.475 179.084 0.391 25454 3367 1 8 . 1 1 53 53 LYS CA C 53 59.017 59.017 58.611 0.406 25454 3368 1 8 . 1 1 53 53 LYS CB C 53 31.796 31.796 31.913 -0.117 25454 3369 1 8 . 1 1 53 53 LYS H H 53 7.016 7.016 7.533 -0.517 25454 3370 1 8 . 1 1 54 54 VAL N N 54 125.220 125.220 115.804 9.416 25454 3371 1 8 . 1 1 54 54 VAL HA H 54 3.022 3.022 4.064 -1.042 25454 3372 1 8 . 1 1 54 54 VAL C C 54 177.692 177.692 177.539 0.153 25454 3373 1 8 . 1 1 54 54 VAL CA C 54 65.860 65.860 65.159 0.702 25454 3374 1 8 . 1 1 54 54 VAL CB C 54 30.623 30.623 30.886 -0.263 25454 3375 1 8 . 1 1 54 54 VAL H H 54 8.068 8.068 8.394 -0.326 25454 3376 1 8 . 1 1 55 55 ILE N N 55 119.943 119.943 121.935 -1.992 25454 3377 1 8 . 1 1 55 55 ILE HA H 55 3.641 3.641 4.179 -0.538 25454 3378 1 8 . 1 1 55 55 ILE C C 55 177.515 177.515 177.907 -0.392 25454 3379 1 8 . 1 1 55 55 ILE CA C 55 66.896 66.896 65.368 1.528 25454 3380 1 8 . 1 1 55 55 ILE CB C 55 38.500 38.500 38.122 0.378 25454 3381 1 8 . 1 1 55 55 ILE H H 55 7.589 7.589 7.416 0.173 25454 3382 1 8 . 1 1 56 56 GLU N N 56 118.310 118.310 120.921 -2.611 25454 3383 1 8 . 1 1 56 56 GLU HA H 56 4.010 4.010 4.034 -0.024 25454 3384 1 8 . 1 1 56 56 GLU C C 56 178.518 178.518 179.293 -0.775 25454 3385 1 8 . 1 1 56 56 GLU CA C 56 59.603 59.603 59.848 -0.245 25454 3386 1 8 . 1 1 56 56 GLU CB C 56 29.776 29.776 29.669 0.107 25454 3387 1 8 . 1 1 56 56 GLU H H 56 7.794 7.794 8.695 -0.901 25454 3388 1 8 . 1 1 57 57 TYR N N 57 120.510 120.510 119.580 0.930 25454 3389 1 8 . 1 1 57 57 TYR HA H 57 4.239 4.239 4.328 -0.089 25454 3390 1 8 . 1 1 57 57 TYR C C 57 178.919 178.919 177.864 1.055 25454 3391 1 8 . 1 1 57 57 TYR CA C 57 61.600 61.600 59.977 1.623 25454 3392 1 8 . 1 1 57 57 TYR CB C 57 39.060 39.060 37.923 1.137 25454 3393 1 8 . 1 1 57 57 TYR H H 57 8.495 8.495 8.629 -0.134 25454 3394 1 8 . 1 1 58 58 CYS N N 58 117.760 117.760 117.890 -0.130 25454 3395 1 8 . 1 1 58 58 CYS HA H 58 4.685 4.685 4.350 0.335 25454 3396 1 8 . 1 1 58 58 CYS C C 58 177.217 177.217 176.517 0.700 25454 3397 1 8 . 1 1 58 58 CYS CA C 58 52.020 52.020 61.470 -9.450 25454 3398 1 8 . 1 1 58 58 CYS CB C 58 31.667 31.667 27.250 4.417 25454 3399 1 8 . 1 1 58 58 CYS H H 58 8.672 8.672 7.821 0.851 25454 3400 1 8 . 1 1 59 59 LYS N N 59 120.550 120.550 120.472 0.078 25454 3401 1 8 . 1 1 59 59 LYS HA H 59 4.008 4.008 4.138 -0.130 25454 3402 1 8 . 1 1 59 59 LYS C C 59 179.247 179.247 178.330 0.917 25454 3403 1 8 . 1 1 59 59 LYS CA C 59 59.790 59.790 58.745 1.044 25454 3404 1 8 . 1 1 59 59 LYS CB C 59 32.800 32.800 32.167 0.633 25454 3405 1 8 . 1 1 59 59 LYS H H 59 8.481 8.481 8.539 -0.058 25454 3406 1 8 . 1 1 60 60 LYS N N 60 116.830 116.830 118.068 -1.238 25454 3407 1 8 . 1 1 60 60 LYS HA H 60 4.166 4.166 4.252 -0.086 25454 3408 1 8 . 1 1 60 60 LYS C C 60 176.432 176.432 177.431 -0.999 25454 3409 1 8 . 1 1 60 60 LYS CA C 60 57.260 57.260 58.060 -0.800 25454 3410 1 8 . 1 1 60 60 LYS CB C 60 33.760 33.760 33.151 0.609 25454 3411 1 8 . 1 1 60 60 LYS H H 60 7.455 7.455 8.097 -0.642 25454 3412 1 8 . 1 1 61 61 ASN N N 61 117.140 117.140 118.577 -1.437 25454 3413 1 8 . 1 1 61 61 ASN HA H 61 4.686 4.686 5.229 -0.543 25454 3414 1 8 . 1 1 61 61 ASN CA C 61 51.300 51.300 51.006 0.294 25454 3415 1 8 . 1 1 61 61 ASN CB C 61 40.208 40.208 39.291 0.917 25454 3416 1 8 . 1 1 61 61 ASN H H 61 7.368 7.368 7.810 -0.442 25454 3417 1 8 . 1 1 62 62 PRO HA H 62 4.227 4.227 4.465 -0.238 25454 3418 1 8 . 1 1 62 62 PRO C C 62 177.511 177.511 177.563 -0.052 25454 3419 1 8 . 1 1 62 62 PRO CA C 62 65.430 65.430 64.755 0.674 25454 3420 1 8 . 1 1 62 62 PRO CB C 62 31.800 31.800 32.127 -0.327 25454 3421 1 8 . 1 1 63 63 GLN N N 63 114.045 114.045 113.944 0.101 25454 3422 1 8 . 1 1 63 63 GLN HA H 63 4.450 4.450 4.196 0.254 25454 3423 1 8 . 1 1 63 63 GLN C C 63 177.766 177.766 176.080 1.686 25454 3424 1 8 . 1 1 63 63 GLN CA C 63 56.200 56.200 56.945 -0.745 25454 3425 1 8 . 1 1 63 63 GLN CB C 63 28.200 28.200 28.738 -0.538 25454 3426 1 8 . 1 1 63 63 GLN H H 63 8.578 8.578 8.330 0.248 25454 3427 1 8 . 1 1 64 64 LYS N N 64 119.960 119.960 120.539 -0.579 25454 3428 1 8 . 1 1 64 64 LYS HA H 64 4.452 4.452 4.192 0.260 25454 3429 1 8 . 1 1 64 64 LYS C C 64 176.151 176.151 175.503 0.648 25454 3430 1 8 . 1 1 64 64 LYS CA C 64 55.660 55.660 55.882 -0.222 25454 3431 1 8 . 1 1 64 64 LYS CB C 64 33.500 33.500 32.960 0.540 25454 3432 1 8 . 1 1 64 64 LYS H H 64 7.628 7.628 7.591 0.037 25454 3433 1 8 . 1 1 65 65 ASN N N 65 120.139 120.139 117.582 2.557 25454 3434 1 8 . 1 1 65 65 ASN HA H 65 4.807 4.807 4.497 0.310 25454 3435 1 8 . 1 1 65 65 ASN CA C 65 54.070 54.070 53.217 0.853 25454 3436 1 8 . 1 1 65 65 ASN CB C 65 38.070 38.070 39.412 -1.342 25454 3437 1 8 . 1 1 65 65 ASN H H 65 8.936 8.936 8.246 0.690 25454 3438 1 8 . 1 1 66 66 LEU N N 66 129.960 129.960 123.429 6.531 25454 3439 1 8 . 1 1 66 66 LEU HA H 66 4.165 4.165 3.689 0.476 25454 3440 1 8 . 1 1 66 66 LEU C C 66 176.948 176.948 177.525 -0.577 25454 3441 1 8 . 1 1 66 66 LEU CA C 66 59.220 59.220 56.503 2.717 25454 3442 1 8 . 1 1 66 66 LEU CB C 66 42.830 42.830 42.206 0.624 25454 3443 1 8 . 1 1 66 66 LEU H H 66 8.939 8.939 8.018 0.921 25454 3444 1 8 . 1 1 67 67 TYR N N 67 115.770 115.770 116.715 -0.945 25454 3445 1 8 . 1 1 67 67 TYR HA H 67 4.077 4.077 4.298 -0.221 25454 3446 1 8 . 1 1 67 67 TYR C C 67 178.731 178.731 177.998 0.733 25454 3447 1 8 . 1 1 67 67 TYR CA C 67 61.277 61.277 60.110 1.167 25454 3448 1 8 . 1 1 67 67 TYR CB C 67 36.768 36.768 38.245 -1.477 25454 3449 1 8 . 1 1 67 67 TYR H H 67 9.409 9.409 7.949 1.460 25454 3450 1 8 . 1 1 68 68 THR N N 68 112.470 112.470 117.002 -4.532 25454 3451 1 8 . 1 1 68 68 THR HA H 68 4.268 4.268 4.072 0.196 25454 3452 1 8 . 1 1 68 68 THR C C 68 176.104 176.104 176.642 -0.538 25454 3453 1 8 . 1 1 68 68 THR CA C 68 64.650 64.650 65.478 -0.828 25454 3454 1 8 . 1 1 68 68 THR CB C 68 70.268 70.268 68.483 1.785 25454 3455 1 8 . 1 1 68 68 THR H H 68 8.076 8.076 8.297 -0.221 25454 3456 1 8 . 1 1 69 69 PHE N N 69 123.660 123.660 118.800 4.860 25454 3457 1 8 . 1 1 69 69 PHE HA H 69 2.811 2.811 4.419 -1.608 25454 3458 1 8 . 1 1 69 69 PHE C C 69 176.290 176.290 176.740 -0.450 25454 3459 1 8 . 1 1 69 69 PHE CA C 69 61.510 61.510 57.754 3.756 25454 3460 1 8 . 1 1 69 69 PHE CB C 69 39.610 39.610 37.730 1.880 25454 3461 1 8 . 1 1 69 69 PHE H H 69 7.969 7.969 7.791 0.178 25454 3462 1 8 . 1 1 70 70 LYS N N 70 113.530 113.530 120.033 -6.503 25454 3463 1 8 . 1 1 70 70 LYS HA H 70 3.757 3.757 4.092 -0.335 25454 3464 1 8 . 1 1 70 70 LYS C C 70 176.269 176.269 178.357 -2.088 25454 3465 1 8 . 1 1 70 70 LYS CA C 70 57.840 57.840 57.906 -0.066 25454 3466 1 8 . 1 1 70 70 LYS CB C 70 32.520 32.520 32.634 -0.114 25454 3467 1 8 . 1 1 70 70 LYS H H 70 6.957 6.957 7.957 -1.000 25454 3468 1 8 . 1 1 71 71 ASN N N 71 117.360 117.360 118.185 -0.825 25454 3469 1 8 . 1 1 71 71 ASN HA H 71 4.652 4.652 4.502 0.150 25454 3470 1 8 . 1 1 71 71 ASN C C 71 175.155 175.155 177.593 -2.438 25454 3471 1 8 . 1 1 71 71 ASN CA C 71 53.273 53.273 55.521 -2.248 25454 3472 1 8 . 1 1 71 71 ASN CB C 71 38.870 38.870 38.448 0.422 25454 3473 1 8 . 1 1 71 71 ASN H H 71 7.488 7.488 8.327 -0.839 25454 3474 1 8 . 1 1 72 72 GLN N N 72 119.610 119.610 118.368 1.242 25454 3475 1 8 . 1 1 72 72 GLN HA H 72 4.202 4.202 4.306 -0.104 25454 3476 1 8 . 1 1 72 72 GLN C C 72 179.467 179.467 176.760 2.707 25454 3477 1 8 . 1 1 72 72 GLN CA C 72 56.160 56.160 57.698 -1.538 25454 3478 1 8 . 1 1 72 72 GLN CB C 72 29.460 29.460 28.556 0.904 25454 3479 1 8 . 1 1 72 72 GLN H H 72 7.611 7.611 8.502 -0.891 25454 3480 1 8 . 1 1 73 73 ALA N N 73 125.130 125.130 122.194 2.936 25454 3481 1 8 . 1 1 73 73 ALA HA H 73 4.198 4.198 4.615 -0.417 25454 3482 1 8 . 1 1 73 73 ALA C C 73 177.907 177.907 176.621 1.286 25454 3483 1 8 . 1 1 73 73 ALA CA C 73 52.761 52.761 50.923 1.838 25454 3484 1 8 . 1 1 73 73 ALA CB C 73 19.028 19.028 19.743 -0.715 25454 3485 1 8 . 1 1 73 73 ALA H H 73 8.072 8.072 7.697 0.375 25454 3486 1 8 . 1 1 74 74 SER N N 74 115.100 115.100 117.101 -2.001 25454 3487 1 8 . 1 1 74 74 SER HA H 74 4.344 4.344 4.431 -0.087 25454 3488 1 8 . 1 1 74 74 SER C C 74 174.562 174.562 174.107 0.455 25454 3489 1 8 . 1 1 74 74 SER CA C 74 58.640 58.640 59.164 -0.524 25454 3490 1 8 . 1 1 74 74 SER CB C 74 63.660 63.660 62.375 1.285 25454 3491 1 8 . 1 1 74 74 SER H H 74 8.114 8.114 8.155 -0.041 25454 3492 1 8 . 1 1 75 75 ASN N N 75 120.950 120.950 122.312 -1.362 25454 3493 1 8 . 1 1 75 75 ASN HA H 75 4.698 4.698 4.828 -0.130 25454 3494 1 8 . 1 1 75 75 ASN C C 75 174.790 174.790 175.410 -0.620 25454 3495 1 8 . 1 1 75 75 ASN CA C 75 53.340 53.340 53.626 -0.286 25454 3496 1 8 . 1 1 75 75 ASN CB C 75 38.980 38.980 39.572 -0.591 25454 3497 1 8 . 1 1 75 75 ASN H H 75 8.283 8.283 8.282 0.001 25454 3498 1 8 . 1 1 76 76 ASP N N 76 120.550 120.550 119.144 1.406 25454 3499 1 8 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.036 0.567 25454 3500 1 8 . 1 1 76 76 ASP C C 76 175.588 175.588 174.641 0.947 25454 3501 1 8 . 1 1 76 76 ASP CA C 76 53.940 53.940 56.001 -2.061 25454 3502 1 8 . 1 1 76 76 ASP CB C 76 40.510 40.510 40.624 -0.114 25454 3503 1 8 . 1 1 76 76 ASP H H 76 8.201 8.201 8.617 -0.416 25454 3504 1 8 . 1 1 77 77 LEU N N 77 123.780 123.780 113.802 9.978 25454 3505 1 8 . 1 1 77 77 LEU HA H 77 4.600 4.600 4.772 -0.172 25454 3506 1 8 . 1 1 77 77 LEU CA C 77 52.980 52.980 51.442 1.538 25454 3507 1 8 . 1 1 77 77 LEU CB C 77 41.850 41.850 43.166 -1.317 25454 3508 1 8 . 1 1 77 77 LEU H H 77 8.021 8.021 7.424 0.597 25454 3509 1 8 . 1 1 78 78 PRO HA H 78 4.417 4.417 4.515 -0.098 25454 3510 1 8 . 1 1 78 78 PRO C C 78 176.058 176.058 176.288 -0.230 25454 3511 1 8 . 1 1 78 78 PRO CA C 78 63.260 63.260 62.611 0.649 25454 3512 1 8 . 1 1 78 78 PRO CB C 78 31.956 31.956 32.792 -0.836 25454 3513 1 9 . 1 1 2 2 ASN N N 2 118.440 118.440 117.999 0.441 25454 3514 1 9 . 1 1 2 2 ASN HA H 2 4.660 4.660 4.659 0.001 25454 3515 1 9 . 1 1 2 2 ASN C C 2 174.884 174.884 175.420 -0.536 25454 3516 1 9 . 1 1 2 2 ASN CA C 2 53.730 53.730 53.247 0.483 25454 3517 1 9 . 1 1 2 2 ASN CB C 2 38.500 38.500 38.485 0.015 25454 3518 1 9 . 1 1 2 2 ASN H H 2 8.869 8.869 8.331 0.538 25454 3519 1 9 . 1 1 3 3 GLU N N 3 121.390 121.390 119.500 1.890 25454 3520 1 9 . 1 1 3 3 GLU HA H 3 4.416 4.416 4.113 0.303 25454 3521 1 9 . 1 1 3 3 GLU C C 3 175.916 175.916 175.917 -0.001 25454 3522 1 9 . 1 1 3 3 GLU CA C 3 56.300 56.300 57.150 -0.850 25454 3523 1 9 . 1 1 3 3 GLU CB C 3 29.810 29.810 29.875 -0.065 25454 3524 1 9 . 1 1 3 3 GLU H H 3 8.560 8.560 8.501 0.059 25454 3525 1 9 . 1 1 4 4 SER N N 4 118.190 118.190 112.773 5.417 25454 3526 1 9 . 1 1 4 4 SER HA H 4 4.716 4.716 4.356 0.360 25454 3527 1 9 . 1 1 4 4 SER C C 4 175.686 175.686 175.052 0.634 25454 3528 1 9 . 1 1 4 4 SER CA C 4 57.890 57.890 58.477 -0.587 25454 3529 1 9 . 1 1 4 4 SER CB C 4 65.080 65.080 62.432 2.648 25454 3530 1 9 . 1 1 4 4 SER H H 4 8.802 8.802 7.942 0.860 25454 3531 1 9 . 1 1 5 5 ALA N N 5 128.990 128.990 126.760 2.230 25454 3532 1 9 . 1 1 5 5 ALA HA H 5 4.142 4.142 4.031 0.111 25454 3533 1 9 . 1 1 5 5 ALA C C 5 179.112 179.112 178.387 0.725 25454 3534 1 9 . 1 1 5 5 ALA CA C 5 55.880 55.880 55.138 0.742 25454 3535 1 9 . 1 1 5 5 ALA CB C 5 18.110 18.110 18.897 -0.787 25454 3536 1 9 . 1 1 5 5 ALA H H 5 8.992 8.992 8.852 0.140 25454 3537 1 9 . 1 1 6 6 LYS N N 6 114.810 114.810 113.694 1.116 25454 3538 1 9 . 1 1 6 6 LYS HA H 6 3.221 3.221 3.294 -0.073 25454 3539 1 9 . 1 1 6 6 LYS C C 6 177.448 177.448 175.665 1.783 25454 3540 1 9 . 1 1 6 6 LYS CA C 6 57.740 57.740 56.901 0.839 25454 3541 1 9 . 1 1 6 6 LYS CB C 6 31.830 31.830 30.797 1.033 25454 3542 1 9 . 1 1 6 6 LYS H H 6 7.776 7.776 7.960 -0.184 25454 3543 1 9 . 1 1 7 7 ASP N N 7 119.190 119.190 118.289 0.901 25454 3544 1 9 . 1 1 7 7 ASP HA H 7 4.748 4.748 4.858 -0.110 25454 3545 1 9 . 1 1 7 7 ASP C C 7 176.254 176.254 175.279 0.975 25454 3546 1 9 . 1 1 7 7 ASP CA C 7 53.800 53.800 52.942 0.858 25454 3547 1 9 . 1 1 7 7 ASP CB C 7 41.560 41.560 42.274 -0.714 25454 3548 1 9 . 1 1 7 7 ASP H H 7 7.744 7.744 7.742 0.002 25454 3549 1 9 . 1 1 8 8 MET N N 8 122.540 122.540 121.415 1.125 25454 3550 1 9 . 1 1 8 8 MET HA H 8 4.502 4.502 4.240 0.262 25454 3551 1 9 . 1 1 8 8 MET C C 8 176.932 176.932 175.686 1.246 25454 3552 1 9 . 1 1 8 8 MET CA C 8 56.390 56.390 56.692 -0.302 25454 3553 1 9 . 1 1 8 8 MET CB C 8 35.300 35.300 33.414 1.886 25454 3554 1 9 . 1 1 8 8 MET H H 8 7.925 7.925 7.481 0.444 25454 3555 1 9 . 1 1 9 9 THR N N 9 121.410 121.410 121.994 -0.584 25454 3556 1 9 . 1 1 9 9 THR HA H 9 4.794 4.794 4.461 0.333 25454 3557 1 9 . 1 1 9 9 THR C C 9 176.198 176.198 175.199 0.999 25454 3558 1 9 . 1 1 9 9 THR CA C 9 61.960 61.960 62.566 -0.606 25454 3559 1 9 . 1 1 9 9 THR CB C 9 72.200 72.200 70.185 2.015 25454 3560 1 9 . 1 1 9 9 THR H H 9 9.927 9.927 8.350 1.577 25454 3561 1 9 . 1 1 10 10 CYS N N 10 121.150 121.150 125.981 -4.831 25454 3562 1 9 . 1 1 10 10 CYS HA H 10 4.685 4.685 4.235 0.450 25454 3563 1 9 . 1 1 10 10 CYS C C 10 177.324 177.324 177.015 0.309 25454 3564 1 9 . 1 1 10 10 CYS CA C 10 56.970 56.970 62.315 -5.345 25454 3565 1 9 . 1 1 10 10 CYS CB C 10 32.440 32.440 25.882 6.558 25454 3566 1 9 . 1 1 10 10 CYS H H 10 9.765 9.765 8.740 1.025 25454 3567 1 9 . 1 1 11 11 GLN N N 11 121.360 121.360 119.672 1.688 25454 3568 1 9 . 1 1 11 11 GLN HA H 11 3.894 3.894 4.094 -0.200 25454 3569 1 9 . 1 1 11 11 GLN C C 11 176.902 176.902 177.206 -0.304 25454 3570 1 9 . 1 1 11 11 GLN CA C 11 58.680 58.680 58.511 0.168 25454 3571 1 9 . 1 1 11 11 GLN CB C 11 28.900 28.900 28.221 0.679 25454 3572 1 9 . 1 1 11 11 GLN H H 11 8.583 8.583 8.237 0.346 25454 3573 1 9 . 1 1 12 12 GLU N N 12 117.090 117.090 118.377 -1.287 25454 3574 1 9 . 1 1 12 12 GLU HA H 12 3.983 3.983 4.186 -0.203 25454 3575 1 9 . 1 1 12 12 GLU C C 12 179.763 179.763 179.066 0.697 25454 3576 1 9 . 1 1 12 12 GLU CA C 12 59.528 59.528 58.022 1.506 25454 3577 1 9 . 1 1 12 12 GLU CB C 12 31.830 31.830 29.803 2.027 25454 3578 1 9 . 1 1 12 12 GLU H H 12 7.867 7.867 7.647 0.220 25454 3579 1 9 . 1 1 13 13 PHE N N 13 119.630 119.630 122.135 -2.505 25454 3580 1 9 . 1 1 13 13 PHE HA H 13 4.269 4.269 4.237 0.032 25454 3581 1 9 . 1 1 13 13 PHE C C 13 176.432 176.432 178.057 -1.625 25454 3582 1 9 . 1 1 13 13 PHE CA C 13 61.150 61.150 61.463 -0.313 25454 3583 1 9 . 1 1 13 13 PHE CB C 13 39.520 39.520 39.587 -0.067 25454 3584 1 9 . 1 1 13 13 PHE H H 13 8.182 8.182 8.494 -0.312 25454 3585 1 9 . 1 1 14 14 ILE N N 14 114.180 114.180 114.026 0.154 25454 3586 1 9 . 1 1 14 14 ILE HA H 14 3.761 3.761 3.836 -0.075 25454 3587 1 9 . 1 1 14 14 ILE C C 14 177.089 177.089 176.085 1.004 25454 3588 1 9 . 1 1 14 14 ILE CA C 14 63.030 63.030 63.401 -0.371 25454 3589 1 9 . 1 1 14 14 ILE CB C 14 36.740 36.740 37.307 -0.567 25454 3590 1 9 . 1 1 14 14 ILE H H 14 8.191 8.191 8.054 0.137 25454 3591 1 9 . 1 1 15 15 ASP N N 15 120.260 120.260 119.346 0.914 25454 3592 1 9 . 1 1 15 15 ASP HA H 15 4.716 4.716 4.720 -0.004 25454 3593 1 9 . 1 1 15 15 ASP C C 15 174.697 174.697 176.340 -1.643 25454 3594 1 9 . 1 1 15 15 ASP CA C 15 54.080 54.080 53.819 0.261 25454 3595 1 9 . 1 1 15 15 ASP CB C 15 40.810 40.810 42.313 -1.503 25454 3596 1 9 . 1 1 15 15 ASP H H 15 7.478 7.478 7.727 -0.249 25454 3597 1 9 . 1 1 16 16 LEU N N 16 122.985 122.985 119.395 3.590 25454 3598 1 9 . 1 1 16 16 LEU HA H 16 4.067 4.067 4.328 -0.261 25454 3599 1 9 . 1 1 16 16 LEU C C 16 176.710 176.710 176.114 0.596 25454 3600 1 9 . 1 1 16 16 LEU CA C 16 55.028 55.028 55.261 -0.233 25454 3601 1 9 . 1 1 16 16 LEU CB C 16 43.370 43.370 42.649 0.721 25454 3602 1 9 . 1 1 16 16 LEU H H 16 7.226 7.226 7.339 -0.113 25454 3603 1 9 . 1 1 17 17 ASN N N 17 119.620 119.620 119.399 0.221 25454 3604 1 9 . 1 1 17 17 ASN HA H 17 4.634 4.634 4.874 -0.240 25454 3605 1 9 . 1 1 17 17 ASN CA C 17 52.048 52.048 51.381 0.667 25454 3606 1 9 . 1 1 17 17 ASN CB C 17 39.480 39.480 39.137 0.343 25454 3607 1 9 . 1 1 17 17 ASN H H 17 7.265 7.265 8.427 -1.162 25454 3608 1 9 . 1 1 18 18 PRO HA H 18 4.137 4.137 4.248 -0.111 25454 3609 1 9 . 1 1 18 18 PRO C C 18 179.247 179.247 178.006 1.241 25454 3610 1 9 . 1 1 18 18 PRO CA C 18 65.370 65.370 64.602 0.768 25454 3611 1 9 . 1 1 18 18 PRO CB C 18 32.610 32.610 31.946 0.664 25454 3612 1 9 . 1 1 19 19 LYS N N 19 116.450 116.450 118.557 -2.107 25454 3613 1 9 . 1 1 19 19 LYS HA H 19 3.856 3.856 4.012 -0.156 25454 3614 1 9 . 1 1 19 19 LYS C C 19 176.995 176.995 178.965 -1.970 25454 3615 1 9 . 1 1 19 19 LYS CA C 19 59.080 59.080 59.465 -0.385 25454 3616 1 9 . 1 1 19 19 LYS CB C 19 34.940 34.940 31.927 3.013 25454 3617 1 9 . 1 1 19 19 LYS H H 19 8.445 8.445 8.293 0.152 25454 3618 1 9 . 1 1 20 20 ALA N N 20 116.170 116.170 121.585 -5.415 25454 3619 1 9 . 1 1 20 20 ALA HA H 20 4.255 4.255 4.355 -0.100 25454 3620 1 9 . 1 1 20 20 ALA C C 20 177.511 177.511 179.276 -1.765 25454 3621 1 9 . 1 1 20 20 ALA CA C 20 51.640 51.640 53.852 -2.212 25454 3622 1 9 . 1 1 20 20 ALA CB C 20 21.660 21.660 18.222 3.438 25454 3623 1 9 . 1 1 20 20 ALA H H 20 8.400 8.400 7.703 0.697 25454 3624 1 9 . 1 1 21 21 MET N N 21 117.850 117.850 118.553 -0.703 25454 3625 1 9 . 1 1 21 21 MET HA H 21 3.645 3.645 3.962 -0.317 25454 3626 1 9 . 1 1 21 21 MET C C 21 177.511 177.511 177.382 0.129 25454 3627 1 9 . 1 1 21 21 MET CA C 21 61.418 61.418 59.642 1.776 25454 3628 1 9 . 1 1 21 21 MET CB C 21 33.220 33.220 32.654 0.566 25454 3629 1 9 . 1 1 21 21 MET H H 21 7.206 7.206 8.363 -1.157 25454 3630 1 9 . 1 1 22 22 THR N N 22 114.690 114.690 115.646 -0.956 25454 3631 1 9 . 1 1 22 22 THR HA H 22 4.115 4.115 4.267 -0.152 25454 3632 1 9 . 1 1 22 22 THR CA C 22 69.550 69.550 68.846 0.704 25454 3633 1 9 . 1 1 22 22 THR CB C 22 65.700 65.700 66.356 -0.656 25454 3634 1 9 . 1 1 22 22 THR H H 22 8.695 8.695 7.839 0.856 25454 3635 1 9 . 1 1 23 23 PRO HA H 23 3.550 3.550 4.299 -0.749 25454 3636 1 9 . 1 1 23 23 PRO C C 23 178.637 178.637 178.535 0.102 25454 3637 1 9 . 1 1 23 23 PRO CA C 23 65.770 65.770 65.913 -0.143 25454 3638 1 9 . 1 1 23 23 PRO CB C 23 31.182 31.182 31.067 0.115 25454 3639 1 9 . 1 1 24 24 VAL N N 24 115.820 115.820 119.430 -3.610 25454 3640 1 9 . 1 1 24 24 VAL HA H 24 3.675 3.675 4.083 -0.408 25454 3641 1 9 . 1 1 24 24 VAL C C 24 177.464 177.464 177.510 -0.046 25454 3642 1 9 . 1 1 24 24 VAL CA C 24 67.490 67.490 64.741 2.749 25454 3643 1 9 . 1 1 24 24 VAL CB C 24 31.970 31.970 31.514 0.456 25454 3644 1 9 . 1 1 24 24 VAL H H 24 7.441 7.441 7.500 -0.059 25454 3645 1 9 . 1 1 25 25 ALA N N 25 122.670 122.670 122.895 -0.225 25454 3646 1 9 . 1 1 25 25 ALA HA H 25 3.783 3.783 4.318 -0.535 25454 3647 1 9 . 1 1 25 25 ALA C C 25 178.497 178.497 179.123 -0.626 25454 3648 1 9 . 1 1 25 25 ALA CA C 25 55.620 55.620 55.235 0.385 25454 3649 1 9 . 1 1 25 25 ALA CB C 25 18.852 18.852 18.554 0.298 25454 3650 1 9 . 1 1 25 25 ALA H H 25 8.805 8.805 8.605 0.200 25454 3651 1 9 . 1 1 26 26 TRP N N 26 118.270 118.270 120.729 -2.459 25454 3652 1 9 . 1 1 26 26 TRP HA H 26 3.709 3.709 4.626 -0.917 25454 3653 1 9 . 1 1 26 26 TRP C C 26 178.309 178.309 177.164 1.145 25454 3654 1 9 . 1 1 26 26 TRP CA C 26 63.940 63.940 60.282 3.658 25454 3655 1 9 . 1 1 26 26 TRP CB C 26 29.740 29.740 30.434 -0.694 25454 3656 1 9 . 1 1 26 26 TRP H H 26 9.181 9.181 8.006 1.175 25454 3657 1 9 . 1 1 27 27 TRP N N 27 119.740 119.740 121.620 -1.880 25454 3658 1 9 . 1 1 27 27 TRP HA H 27 4.118 4.118 3.477 0.641 25454 3659 1 9 . 1 1 27 27 TRP C C 27 177.511 177.511 178.143 -0.632 25454 3660 1 9 . 1 1 27 27 TRP CA C 27 60.588 60.588 59.019 1.569 25454 3661 1 9 . 1 1 27 27 TRP CB C 27 30.021 30.021 29.388 0.633 25454 3662 1 9 . 1 1 27 27 TRP H H 27 8.527 8.527 9.070 -0.543 25454 3663 1 9 . 1 1 28 28 MET N N 28 119.130 119.130 120.163 -1.033 25454 3664 1 9 . 1 1 28 28 MET HA H 28 3.618 3.618 3.101 0.517 25454 3665 1 9 . 1 1 28 28 MET C C 28 177.587 177.587 177.120 0.467 25454 3666 1 9 . 1 1 28 28 MET CA C 28 58.540 58.540 57.986 0.554 25454 3667 1 9 . 1 1 28 28 MET CB C 28 29.392 29.392 31.148 -1.756 25454 3668 1 9 . 1 1 28 28 MET H H 28 7.756 7.756 7.897 -0.141 25454 3669 1 9 . 1 1 29 29 LEU N N 29 117.820 117.820 119.241 -1.421 25454 3670 1 9 . 1 1 29 29 LEU HA H 29 3.559 3.559 3.913 -0.354 25454 3671 1 9 . 1 1 29 29 LEU C C 29 179.417 179.417 177.738 1.679 25454 3672 1 9 . 1 1 29 29 LEU CA C 29 57.043 57.043 56.913 0.130 25454 3673 1 9 . 1 1 29 29 LEU CB C 29 42.676 42.676 41.114 1.562 25454 3674 1 9 . 1 1 29 29 LEU H H 29 7.838 7.838 7.425 0.413 25454 3675 1 9 . 1 1 30 30 HIS N N 30 113.790 113.790 117.332 -3.542 25454 3676 1 9 . 1 1 30 30 HIS HA H 30 4.059 4.059 4.382 -0.323 25454 3677 1 9 . 1 1 30 30 HIS C C 30 176.289 176.289 175.836 0.453 25454 3678 1 9 . 1 1 30 30 HIS CA C 30 56.030 56.030 57.684 -1.653 25454 3679 1 9 . 1 1 30 30 HIS CB C 30 29.216 29.216 30.800 -1.584 25454 3680 1 9 . 1 1 30 30 HIS H H 30 7.757 7.757 7.836 -0.079 25454 3681 1 9 . 1 1 31 31 GLU N N 31 125.870 125.870 119.405 6.465 25454 3682 1 9 . 1 1 31 31 GLU HA H 31 4.450 4.450 3.938 0.512 25454 3683 1 9 . 1 1 31 31 GLU C C 31 176.775 176.775 175.132 1.643 25454 3684 1 9 . 1 1 31 31 GLU CA C 31 56.160 56.160 57.006 -0.846 25454 3685 1 9 . 1 1 31 31 GLU CB C 31 28.386 28.386 27.806 0.580 25454 3686 1 9 . 1 1 31 31 GLU H H 31 8.916 8.916 7.969 0.947 25454 3687 1 9 . 1 1 32 32 GLU N N 32 116.185 116.185 113.376 2.809 25454 3688 1 9 . 1 1 32 32 GLU HA H 32 3.563 3.563 3.809 -0.246 25454 3689 1 9 . 1 1 32 32 GLU C C 32 174.994 174.994 176.265 -1.271 25454 3690 1 9 . 1 1 32 32 GLU CA C 32 58.090 58.090 57.643 0.447 25454 3691 1 9 . 1 1 32 32 GLU CB C 32 26.783 26.783 28.133 -1.350 25454 3692 1 9 . 1 1 32 32 GLU H H 32 9.330 9.330 8.088 1.242 25454 3693 1 9 . 1 1 33 33 THR N N 33 110.202 110.202 113.022 -2.820 25454 3694 1 9 . 1 1 33 33 THR HA H 33 4.696 4.696 4.280 0.416 25454 3695 1 9 . 1 1 33 33 THR C C 33 173.529 173.529 173.658 -0.129 25454 3696 1 9 . 1 1 33 33 THR CA C 33 60.129 60.129 62.401 -2.272 25454 3697 1 9 . 1 1 33 33 THR CB C 33 71.864 71.864 69.869 1.995 25454 3698 1 9 . 1 1 33 33 THR H H 33 7.620 7.620 7.732 -0.112 25454 3699 1 9 . 1 1 34 34 VAL N N 34 121.967 121.967 123.403 -1.436 25454 3700 1 9 . 1 1 34 34 VAL HA H 34 4.139 4.139 4.382 -0.243 25454 3701 1 9 . 1 1 34 34 VAL C C 34 172.579 172.579 174.526 -1.947 25454 3702 1 9 . 1 1 34 34 VAL CA C 34 63.032 63.032 61.494 1.538 25454 3703 1 9 . 1 1 34 34 VAL CB C 34 32.594 32.594 32.825 -0.231 25454 3704 1 9 . 1 1 34 34 VAL H H 34 8.308 8.308 8.451 -0.143 25454 3705 1 9 . 1 1 35 35 TYR N N 35 129.550 129.550 128.249 1.301 25454 3706 1 9 . 1 1 35 35 TYR HA H 35 4.562 4.562 4.652 -0.090 25454 3707 1 9 . 1 1 35 35 TYR CA C 35 58.660 58.660 58.398 0.262 25454 3708 1 9 . 1 1 35 35 TYR CB C 35 39.520 39.520 39.879 -0.359 25454 3709 1 9 . 1 1 35 35 TYR H H 35 8.610 8.610 8.683 -0.073 25454 3710 1 9 . 1 1 36 36 LYS N N 36 129.360 129.360 125.633 3.727 25454 3711 1 9 . 1 1 36 36 LYS HA H 36 4.411 4.411 4.577 -0.166 25454 3712 1 9 . 1 1 36 36 LYS CA C 36 55.626 55.626 55.610 0.016 25454 3713 1 9 . 1 1 36 36 LYS CB C 36 32.790 32.790 35.355 -2.565 25454 3714 1 9 . 1 1 36 36 LYS H H 36 8.509 8.509 8.177 0.332 25454 3715 1 9 . 1 1 37 37 GLY N N 37 109.150 109.150 112.669 -3.519 25454 3716 1 9 . 1 1 37 37 GLY C C 37 174.428 174.428 174.627 -0.199 25454 3717 1 9 . 1 1 37 37 GLY CA C 37 46.427 46.427 45.440 0.987 25454 3718 1 9 . 1 1 37 37 GLY H H 37 6.819 6.819 8.730 -1.911 25454 3719 1 9 . 1 1 38 38 GLY N N 38 110.780 110.780 110.748 0.032 25454 3720 1 9 . 1 1 38 38 GLY C C 38 174.108 174.108 174.197 -0.089 25454 3721 1 9 . 1 1 38 38 GLY CA C 38 44.972 44.972 44.959 0.013 25454 3722 1 9 . 1 1 38 38 GLY H H 38 8.365 8.365 7.876 0.489 25454 3723 1 9 . 1 1 39 39 ASP N N 39 120.800 120.800 118.122 2.678 25454 3724 1 9 . 1 1 39 39 ASP HA H 39 4.789 4.789 4.817 -0.028 25454 3725 1 9 . 1 1 39 39 ASP C C 39 177.820 177.820 177.374 0.446 25454 3726 1 9 . 1 1 39 39 ASP CA C 39 55.340 55.340 54.282 1.058 25454 3727 1 9 . 1 1 39 39 ASP CB C 39 41.150 41.150 40.814 0.336 25454 3728 1 9 . 1 1 39 39 ASP H H 39 8.476 8.476 8.536 -0.060 25454 3729 1 9 . 1 1 40 40 THR N N 40 111.201 111.201 113.400 -2.199 25454 3730 1 9 . 1 1 40 40 THR HA H 40 3.753 3.753 4.333 -0.580 25454 3731 1 9 . 1 1 40 40 THR C C 40 175.526 175.526 176.060 -0.534 25454 3732 1 9 . 1 1 40 40 THR CA C 40 60.300 60.300 61.648 -1.348 25454 3733 1 9 . 1 1 40 40 THR CB C 40 71.278 71.278 67.872 3.406 25454 3734 1 9 . 1 1 40 40 THR H H 40 8.132 8.132 8.641 -0.509 25454 3735 1 9 . 1 1 41 41 VAL N N 41 125.014 125.014 118.241 6.773 25454 3736 1 9 . 1 1 41 41 VAL HA H 41 3.831 3.831 3.977 -0.146 25454 3737 1 9 . 1 1 41 41 VAL C C 41 174.100 174.100 176.598 -2.498 25454 3738 1 9 . 1 1 41 41 VAL CA C 41 63.988 63.988 63.427 0.561 25454 3739 1 9 . 1 1 41 41 VAL CB C 41 30.465 30.465 29.905 0.559 25454 3740 1 9 . 1 1 41 41 VAL H H 41 8.278 8.278 7.612 0.666 25454 3741 1 9 . 1 1 42 42 THR N N 42 121.970 121.970 112.486 9.484 25454 3742 1 9 . 1 1 42 42 THR HA H 42 4.603 4.603 4.025 0.578 25454 3743 1 9 . 1 1 42 42 THR C C 42 172.978 172.978 174.616 -1.638 25454 3744 1 9 . 1 1 42 42 THR CA C 42 60.166 60.166 63.374 -3.208 25454 3745 1 9 . 1 1 42 42 THR CB C 42 70.588 70.588 69.191 1.397 25454 3746 1 9 . 1 1 42 42 THR H H 42 7.849 7.849 7.756 0.093 25454 3747 1 9 . 1 1 43 43 LEU N N 43 122.979 122.979 119.052 3.927 25454 3748 1 9 . 1 1 43 43 LEU HA H 43 5.041 5.041 4.194 0.847 25454 3749 1 9 . 1 1 43 43 LEU CA C 43 55.072 55.072 55.710 -0.638 25454 3750 1 9 . 1 1 43 43 LEU CB C 43 42.661 42.661 40.539 2.122 25454 3751 1 9 . 1 1 43 43 LEU H H 43 8.310 8.310 7.570 0.740 25454 3752 1 9 . 1 1 44 44 ASN N N 44 124.579 124.579 120.911 3.668 25454 3753 1 9 . 1 1 44 44 ASN HA H 44 5.135 5.135 4.714 0.421 25454 3754 1 9 . 1 1 44 44 ASN C C 44 175.736 175.736 176.024 -0.288 25454 3755 1 9 . 1 1 44 44 ASN CA C 44 50.814 50.814 52.712 -1.898 25454 3756 1 9 . 1 1 44 44 ASN CB C 44 40.280 40.280 39.544 0.737 25454 3757 1 9 . 1 1 44 44 ASN H H 44 9.542 9.542 8.206 1.336 25454 3758 1 9 . 1 1 45 45 GLU N N 45 118.210 118.210 118.362 -0.152 25454 3759 1 9 . 1 1 45 45 GLU HA H 45 4.088 4.088 4.064 0.024 25454 3760 1 9 . 1 1 45 45 GLU C C 45 179.010 179.010 178.439 0.571 25454 3761 1 9 . 1 1 45 45 GLU CA C 45 60.349 60.349 59.334 1.015 25454 3762 1 9 . 1 1 45 45 GLU CB C 45 28.908 28.908 29.321 -0.413 25454 3763 1 9 . 1 1 45 45 GLU H H 45 8.752 8.752 8.883 -0.131 25454 3764 1 9 . 1 1 46 46 THR N N 46 116.430 116.430 116.901 -0.471 25454 3765 1 9 . 1 1 46 46 THR HA H 46 4.114 4.114 4.013 0.101 25454 3766 1 9 . 1 1 46 46 THR C C 46 176.994 176.994 176.407 0.587 25454 3767 1 9 . 1 1 46 46 THR CA C 46 66.260 66.260 67.602 -1.342 25454 3768 1 9 . 1 1 46 46 THR CB C 46 68.270 68.270 68.355 -0.085 25454 3769 1 9 . 1 1 46 46 THR H H 46 8.043 8.043 8.426 -0.383 25454 3770 1 9 . 1 1 47 47 ASP N N 47 124.380 124.380 122.679 1.701 25454 3771 1 9 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.493 -0.149 25454 3772 1 9 . 1 1 47 47 ASP C C 47 178.914 178.914 178.390 0.524 25454 3773 1 9 . 1 1 47 47 ASP CA C 47 58.630 58.630 58.056 0.574 25454 3774 1 9 . 1 1 47 47 ASP CB C 47 42.350 42.350 40.800 1.550 25454 3775 1 9 . 1 1 47 47 ASP H H 47 8.475 8.475 7.848 0.627 25454 3776 1 9 . 1 1 48 48 LEU N N 48 116.889 116.889 119.201 -2.312 25454 3777 1 9 . 1 1 48 48 LEU HA H 48 4.118 4.118 4.150 -0.032 25454 3778 1 9 . 1 1 48 48 LEU C C 48 175.839 175.839 179.241 -3.402 25454 3779 1 9 . 1 1 48 48 LEU CA C 48 57.432 57.432 57.776 -0.345 25454 3780 1 9 . 1 1 48 48 LEU CB C 48 41.430 41.430 41.883 -0.453 25454 3781 1 9 . 1 1 48 48 LEU H H 48 8.082 8.082 7.958 0.124 25454 3782 1 9 . 1 1 49 49 THR N N 49 112.550 112.550 115.197 -2.647 25454 3783 1 9 . 1 1 49 49 THR HA H 49 4.310 4.310 4.123 0.187 25454 3784 1 9 . 1 1 49 49 THR C C 49 177.306 177.306 176.473 0.833 25454 3785 1 9 . 1 1 49 49 THR CA C 49 64.520 64.520 66.205 -1.685 25454 3786 1 9 . 1 1 49 49 THR CB C 49 69.525 69.525 68.950 0.576 25454 3787 1 9 . 1 1 49 49 THR H H 49 7.743 7.743 8.203 -0.460 25454 3788 1 9 . 1 1 50 50 GLN N N 50 121.570 121.570 120.874 0.696 25454 3789 1 9 . 1 1 50 50 GLN HA H 50 4.344 4.344 4.232 0.112 25454 3790 1 9 . 1 1 50 50 GLN C C 50 178.308 178.308 178.371 -0.063 25454 3791 1 9 . 1 1 50 50 GLN CA C 50 58.630 58.630 58.294 0.336 25454 3792 1 9 . 1 1 50 50 GLN CB C 50 30.850 30.850 28.662 2.188 25454 3793 1 9 . 1 1 50 50 GLN H H 50 8.519 8.519 7.953 0.566 25454 3794 1 9 . 1 1 51 51 ILE N N 51 120.320 120.320 121.327 -1.007 25454 3795 1 9 . 1 1 51 51 ILE HA H 51 3.573 3.573 4.017 -0.444 25454 3796 1 9 . 1 1 51 51 ILE CA C 51 69.155 69.155 66.256 2.899 25454 3797 1 9 . 1 1 51 51 ILE CB C 51 35.659 35.659 35.661 -0.002 25454 3798 1 9 . 1 1 51 51 ILE H H 51 8.663 8.663 8.833 -0.170 25454 3799 1 9 . 1 1 52 52 PRO HA H 52 4.301 4.301 4.313 -0.012 25454 3800 1 9 . 1 1 52 52 PRO C C 52 179.686 179.686 178.660 1.026 25454 3801 1 9 . 1 1 52 52 PRO CA C 52 66.190 66.190 65.393 0.797 25454 3802 1 9 . 1 1 52 52 PRO CB C 52 31.270 31.270 31.427 -0.157 25454 3803 1 9 . 1 1 53 53 LYS N N 53 116.520 116.520 118.426 -1.906 25454 3804 1 9 . 1 1 53 53 LYS HA H 53 4.231 4.231 4.222 0.009 25454 3805 1 9 . 1 1 53 53 LYS C C 53 179.475 179.475 179.079 0.396 25454 3806 1 9 . 1 1 53 53 LYS CA C 53 59.017 59.017 58.549 0.468 25454 3807 1 9 . 1 1 53 53 LYS CB C 53 31.796 31.796 31.903 -0.107 25454 3808 1 9 . 1 1 53 53 LYS H H 53 7.016 7.016 7.523 -0.507 25454 3809 1 9 . 1 1 54 54 VAL N N 54 125.220 125.220 115.405 9.815 25454 3810 1 9 . 1 1 54 54 VAL HA H 54 3.022 3.022 4.075 -1.053 25454 3811 1 9 . 1 1 54 54 VAL C C 54 177.692 177.692 177.405 0.287 25454 3812 1 9 . 1 1 54 54 VAL CA C 54 65.860 65.860 65.079 0.781 25454 3813 1 9 . 1 1 54 54 VAL CB C 54 30.623 30.623 30.901 -0.278 25454 3814 1 9 . 1 1 54 54 VAL H H 54 8.068 8.068 8.369 -0.301 25454 3815 1 9 . 1 1 55 55 ILE N N 55 119.943 119.943 121.113 -1.170 25454 3816 1 9 . 1 1 55 55 ILE HA H 55 3.641 3.641 4.274 -0.633 25454 3817 1 9 . 1 1 55 55 ILE C C 55 177.515 177.515 177.900 -0.385 25454 3818 1 9 . 1 1 55 55 ILE CA C 55 66.896 66.896 64.856 2.041 25454 3819 1 9 . 1 1 55 55 ILE CB C 55 38.500 38.500 38.411 0.089 25454 3820 1 9 . 1 1 55 55 ILE H H 55 7.589 7.589 7.472 0.117 25454 3821 1 9 . 1 1 56 56 GLU N N 56 118.310 118.310 120.911 -2.601 25454 3822 1 9 . 1 1 56 56 GLU HA H 56 4.010 4.010 4.035 -0.025 25454 3823 1 9 . 1 1 56 56 GLU C C 56 178.518 178.518 179.291 -0.773 25454 3824 1 9 . 1 1 56 56 GLU CA C 56 59.603 59.603 59.786 -0.183 25454 3825 1 9 . 1 1 56 56 GLU CB C 56 29.776 29.776 29.671 0.105 25454 3826 1 9 . 1 1 56 56 GLU H H 56 7.794 7.794 8.579 -0.785 25454 3827 1 9 . 1 1 57 57 TYR N N 57 120.510 120.510 119.521 0.989 25454 3828 1 9 . 1 1 57 57 TYR HA H 57 4.239 4.239 4.304 -0.065 25454 3829 1 9 . 1 1 57 57 TYR C C 57 178.919 178.919 177.640 1.279 25454 3830 1 9 . 1 1 57 57 TYR CA C 57 61.600 61.600 59.833 1.767 25454 3831 1 9 . 1 1 57 57 TYR CB C 57 39.060 39.060 37.879 1.181 25454 3832 1 9 . 1 1 57 57 TYR H H 57 8.495 8.495 8.594 -0.099 25454 3833 1 9 . 1 1 58 58 CYS N N 58 117.760 117.760 117.976 -0.216 25454 3834 1 9 . 1 1 58 58 CYS HA H 58 4.685 4.685 4.368 0.317 25454 3835 1 9 . 1 1 58 58 CYS C C 58 177.217 177.217 176.414 0.803 25454 3836 1 9 . 1 1 58 58 CYS CA C 58 52.020 52.020 61.428 -9.409 25454 3837 1 9 . 1 1 58 58 CYS CB C 58 31.667 31.667 27.105 4.562 25454 3838 1 9 . 1 1 58 58 CYS H H 58 8.672 8.672 7.993 0.679 25454 3839 1 9 . 1 1 59 59 LYS N N 59 120.550 120.550 120.352 0.198 25454 3840 1 9 . 1 1 59 59 LYS HA H 59 4.008 4.008 4.139 -0.131 25454 3841 1 9 . 1 1 59 59 LYS C C 59 179.247 179.247 178.292 0.955 25454 3842 1 9 . 1 1 59 59 LYS CA C 59 59.790 59.790 58.749 1.041 25454 3843 1 9 . 1 1 59 59 LYS CB C 59 32.800 32.800 32.148 0.652 25454 3844 1 9 . 1 1 59 59 LYS H H 59 8.481 8.481 8.364 0.117 25454 3845 1 9 . 1 1 60 60 LYS N N 60 116.830 116.830 117.968 -1.138 25454 3846 1 9 . 1 1 60 60 LYS HA H 60 4.166 4.166 4.287 -0.121 25454 3847 1 9 . 1 1 60 60 LYS C C 60 176.432 176.432 177.513 -1.081 25454 3848 1 9 . 1 1 60 60 LYS CA C 60 57.260 57.260 57.829 -0.569 25454 3849 1 9 . 1 1 60 60 LYS CB C 60 33.760 33.760 33.313 0.447 25454 3850 1 9 . 1 1 60 60 LYS H H 60 7.455 7.455 7.936 -0.481 25454 3851 1 9 . 1 1 61 61 ASN N N 61 117.140 117.140 118.836 -1.696 25454 3852 1 9 . 1 1 61 61 ASN HA H 61 4.686 4.686 5.197 -0.511 25454 3853 1 9 . 1 1 61 61 ASN CA C 61 51.300 51.300 50.758 0.542 25454 3854 1 9 . 1 1 61 61 ASN CB C 61 40.208 40.208 39.588 0.620 25454 3855 1 9 . 1 1 61 61 ASN H H 61 7.368 7.368 7.895 -0.527 25454 3856 1 9 . 1 1 62 62 PRO HA H 62 4.227 4.227 4.474 -0.247 25454 3857 1 9 . 1 1 62 62 PRO C C 62 177.511 177.511 177.911 -0.400 25454 3858 1 9 . 1 1 62 62 PRO CA C 62 65.430 65.430 64.814 0.616 25454 3859 1 9 . 1 1 62 62 PRO CB C 62 31.800 31.800 32.146 -0.346 25454 3860 1 9 . 1 1 63 63 GLN N N 63 114.045 114.045 114.841 -0.796 25454 3861 1 9 . 1 1 63 63 GLN HA H 63 4.450 4.450 4.247 0.203 25454 3862 1 9 . 1 1 63 63 GLN C C 63 177.766 177.766 176.051 1.715 25454 3863 1 9 . 1 1 63 63 GLN CA C 63 56.200 56.200 56.630 -0.430 25454 3864 1 9 . 1 1 63 63 GLN CB C 63 28.200 28.200 28.808 -0.608 25454 3865 1 9 . 1 1 63 63 GLN H H 63 8.578 8.578 8.232 0.346 25454 3866 1 9 . 1 1 64 64 LYS N N 64 119.960 119.960 120.174 -0.214 25454 3867 1 9 . 1 1 64 64 LYS HA H 64 4.452 4.452 4.206 0.246 25454 3868 1 9 . 1 1 64 64 LYS C C 64 176.151 176.151 175.332 0.819 25454 3869 1 9 . 1 1 64 64 LYS CA C 64 55.660 55.660 55.803 -0.143 25454 3870 1 9 . 1 1 64 64 LYS CB C 64 33.500 33.500 32.934 0.566 25454 3871 1 9 . 1 1 64 64 LYS H H 64 7.628 7.628 7.590 0.038 25454 3872 1 9 . 1 1 65 65 ASN N N 65 120.139 120.139 118.678 1.461 25454 3873 1 9 . 1 1 65 65 ASN HA H 65 4.807 4.807 4.635 0.172 25454 3874 1 9 . 1 1 65 65 ASN CA C 65 54.070 54.070 52.534 1.536 25454 3875 1 9 . 1 1 65 65 ASN CB C 65 38.070 38.070 39.538 -1.468 25454 3876 1 9 . 1 1 65 65 ASN H H 65 8.936 8.936 8.460 0.476 25454 3877 1 9 . 1 1 66 66 LEU N N 66 129.960 129.960 128.605 1.355 25454 3878 1 9 . 1 1 66 66 LEU HA H 66 4.165 4.165 3.459 0.706 25454 3879 1 9 . 1 1 66 66 LEU C C 66 176.948 176.948 177.554 -0.606 25454 3880 1 9 . 1 1 66 66 LEU CA C 66 59.220 59.220 57.530 1.690 25454 3881 1 9 . 1 1 66 66 LEU CB C 66 42.830 42.830 41.946 0.884 25454 3882 1 9 . 1 1 66 66 LEU H H 66 8.939 8.939 8.517 0.422 25454 3883 1 9 . 1 1 67 67 TYR N N 67 115.770 115.770 115.800 -0.030 25454 3884 1 9 . 1 1 67 67 TYR HA H 67 4.077 4.077 4.306 -0.229 25454 3885 1 9 . 1 1 67 67 TYR C C 67 178.731 178.731 177.754 0.977 25454 3886 1 9 . 1 1 67 67 TYR CA C 67 61.277 61.277 58.851 2.426 25454 3887 1 9 . 1 1 67 67 TYR CB C 67 36.768 36.768 37.700 -0.932 25454 3888 1 9 . 1 1 67 67 TYR H H 67 9.409 9.409 7.906 1.503 25454 3889 1 9 . 1 1 68 68 THR N N 68 112.470 112.470 116.339 -3.869 25454 3890 1 9 . 1 1 68 68 THR HA H 68 4.268 4.268 4.076 0.192 25454 3891 1 9 . 1 1 68 68 THR C C 68 176.104 176.104 176.653 -0.549 25454 3892 1 9 . 1 1 68 68 THR CA C 68 64.650 64.650 65.733 -1.083 25454 3893 1 9 . 1 1 68 68 THR CB C 68 70.268 70.268 68.245 2.023 25454 3894 1 9 . 1 1 68 68 THR H H 68 8.076 8.076 8.214 -0.138 25454 3895 1 9 . 1 1 69 69 PHE N N 69 123.660 123.660 120.602 3.058 25454 3896 1 9 . 1 1 69 69 PHE HA H 69 2.811 2.811 4.579 -1.768 25454 3897 1 9 . 1 1 69 69 PHE C C 69 176.290 176.290 177.393 -1.103 25454 3898 1 9 . 1 1 69 69 PHE CA C 69 61.510 61.510 56.768 4.742 25454 3899 1 9 . 1 1 69 69 PHE CB C 69 39.610 39.610 37.694 1.915 25454 3900 1 9 . 1 1 69 69 PHE H H 69 7.969 7.969 7.779 0.190 25454 3901 1 9 . 1 1 70 70 LYS N N 70 113.530 113.530 121.127 -7.597 25454 3902 1 9 . 1 1 70 70 LYS HA H 70 3.757 3.757 4.038 -0.281 25454 3903 1 9 . 1 1 70 70 LYS C C 70 176.269 176.269 178.484 -2.215 25454 3904 1 9 . 1 1 70 70 LYS CA C 70 57.840 57.840 58.367 -0.527 25454 3905 1 9 . 1 1 70 70 LYS CB C 70 32.520 32.520 32.027 0.493 25454 3906 1 9 . 1 1 70 70 LYS H H 70 6.957 6.957 7.843 -0.886 25454 3907 1 9 . 1 1 71 71 ASN N N 71 117.360 117.360 118.079 -0.719 25454 3908 1 9 . 1 1 71 71 ASN HA H 71 4.652 4.652 4.640 0.012 25454 3909 1 9 . 1 1 71 71 ASN C C 71 175.155 175.155 176.622 -1.467 25454 3910 1 9 . 1 1 71 71 ASN CA C 71 53.273 53.273 54.928 -1.655 25454 3911 1 9 . 1 1 71 71 ASN CB C 71 38.870 38.870 38.020 0.850 25454 3912 1 9 . 1 1 71 71 ASN H H 71 7.488 7.488 8.027 -0.539 25454 3913 1 9 . 1 1 72 72 GLN N N 72 119.610 119.610 118.027 1.583 25454 3914 1 9 . 1 1 72 72 GLN HA H 72 4.202 4.202 4.262 -0.060 25454 3915 1 9 . 1 1 72 72 GLN C C 72 179.467 179.467 175.652 3.815 25454 3916 1 9 . 1 1 72 72 GLN CA C 72 56.160 56.160 56.695 -0.535 25454 3917 1 9 . 1 1 72 72 GLN CB C 72 29.460 29.460 29.494 -0.035 25454 3918 1 9 . 1 1 72 72 GLN H H 72 7.611 7.611 7.746 -0.135 25454 3919 1 9 . 1 1 73 73 ALA N N 73 125.130 125.130 122.615 2.515 25454 3920 1 9 . 1 1 73 73 ALA HA H 73 4.198 4.198 4.690 -0.492 25454 3921 1 9 . 1 1 73 73 ALA C C 73 177.907 177.907 176.797 1.110 25454 3922 1 9 . 1 1 73 73 ALA CA C 73 52.761 52.761 50.909 1.852 25454 3923 1 9 . 1 1 73 73 ALA CB C 73 19.028 19.028 19.853 -0.825 25454 3924 1 9 . 1 1 73 73 ALA H H 73 8.072 8.072 7.613 0.459 25454 3925 1 9 . 1 1 74 74 SER N N 74 115.100 115.100 121.590 -6.490 25454 3926 1 9 . 1 1 74 74 SER HA H 74 4.344 4.344 4.212 0.132 25454 3927 1 9 . 1 1 74 74 SER C C 74 174.562 174.562 174.736 -0.174 25454 3928 1 9 . 1 1 74 74 SER CA C 74 58.640 58.640 58.788 -0.147 25454 3929 1 9 . 1 1 74 74 SER CB C 74 63.660 63.660 63.593 0.067 25454 3930 1 9 . 1 1 74 74 SER H H 74 8.114 8.114 8.924 -0.810 25454 3931 1 9 . 1 1 75 75 ASN N N 75 120.950 120.950 120.118 0.832 25454 3932 1 9 . 1 1 75 75 ASN HA H 75 4.698 4.698 4.487 0.211 25454 3933 1 9 . 1 1 75 75 ASN C C 75 174.790 174.790 175.062 -0.272 25454 3934 1 9 . 1 1 75 75 ASN CA C 75 53.340 53.340 54.452 -1.111 25454 3935 1 9 . 1 1 75 75 ASN CB C 75 38.980 38.980 37.855 1.125 25454 3936 1 9 . 1 1 75 75 ASN H H 75 8.283 8.283 8.011 0.272 25454 3937 1 9 . 1 1 76 76 ASP N N 76 120.550 120.550 121.570 -1.020 25454 3938 1 9 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.623 -0.020 25454 3939 1 9 . 1 1 76 76 ASP C C 76 175.588 175.588 177.278 -1.690 25454 3940 1 9 . 1 1 76 76 ASP CA C 76 53.940 53.940 55.252 -1.312 25454 3941 1 9 . 1 1 76 76 ASP CB C 76 40.510 40.510 41.633 -1.123 25454 3942 1 9 . 1 1 76 76 ASP H H 76 8.201 8.201 8.510 -0.309 25454 3943 1 9 . 1 1 77 77 LEU N N 77 123.780 123.780 118.752 5.028 25454 3944 1 9 . 1 1 77 77 LEU HA H 77 4.600 4.600 4.355 0.245 25454 3945 1 9 . 1 1 77 77 LEU CA C 77 52.980 52.980 52.946 0.034 25454 3946 1 9 . 1 1 77 77 LEU CB C 77 41.850 41.850 40.274 1.576 25454 3947 1 9 . 1 1 77 77 LEU H H 77 8.021 8.021 7.703 0.318 25454 3948 1 9 . 1 1 78 78 PRO HA H 78 4.417 4.417 4.561 -0.144 25454 3949 1 9 . 1 1 78 78 PRO C C 78 176.058 176.058 176.224 -0.166 25454 3950 1 9 . 1 1 78 78 PRO CA C 78 63.260 63.260 62.127 1.133 25454 3951 1 9 . 1 1 78 78 PRO CB C 78 31.956 31.956 32.874 -0.918 25454 3952 1 10 . 1 1 2 2 ASN N N 2 118.440 118.440 117.357 1.083 25454 3953 1 10 . 1 1 2 2 ASN HA H 2 4.660 4.660 4.607 0.053 25454 3954 1 10 . 1 1 2 2 ASN C C 2 174.884 174.884 174.996 -0.112 25454 3955 1 10 . 1 1 2 2 ASN CA C 2 53.730 53.730 54.414 -0.684 25454 3956 1 10 . 1 1 2 2 ASN CB C 2 38.500 38.500 38.085 0.415 25454 3957 1 10 . 1 1 2 2 ASN H H 2 8.869 8.869 8.876 -0.007 25454 3958 1 10 . 1 1 3 3 GLU N N 3 121.390 121.390 120.274 1.116 25454 3959 1 10 . 1 1 3 3 GLU HA H 3 4.416 4.416 4.330 0.086 25454 3960 1 10 . 1 1 3 3 GLU C C 3 175.916 175.916 176.566 -0.650 25454 3961 1 10 . 1 1 3 3 GLU CA C 3 56.300 56.300 56.362 -0.062 25454 3962 1 10 . 1 1 3 3 GLU CB C 3 29.810 29.810 30.481 -0.671 25454 3963 1 10 . 1 1 3 3 GLU H H 3 8.560 8.560 8.394 0.166 25454 3964 1 10 . 1 1 4 4 SER N N 4 118.190 118.190 115.693 2.497 25454 3965 1 10 . 1 1 4 4 SER HA H 4 4.716 4.716 4.632 0.084 25454 3966 1 10 . 1 1 4 4 SER C C 4 175.686 175.686 175.062 0.624 25454 3967 1 10 . 1 1 4 4 SER CA C 4 57.890 57.890 56.445 1.445 25454 3968 1 10 . 1 1 4 4 SER CB C 4 65.080 65.080 63.057 2.023 25454 3969 1 10 . 1 1 4 4 SER H H 4 8.802 8.802 8.447 0.355 25454 3970 1 10 . 1 1 5 5 ALA N N 5 128.990 128.990 129.652 -0.662 25454 3971 1 10 . 1 1 5 5 ALA HA H 5 4.142 4.142 4.125 0.017 25454 3972 1 10 . 1 1 5 5 ALA C C 5 179.112 179.112 178.494 0.618 25454 3973 1 10 . 1 1 5 5 ALA CA C 5 55.880 55.880 54.775 1.105 25454 3974 1 10 . 1 1 5 5 ALA CB C 5 18.110 18.110 19.031 -0.921 25454 3975 1 10 . 1 1 5 5 ALA H H 5 8.992 8.992 9.055 -0.063 25454 3976 1 10 . 1 1 6 6 LYS N N 6 114.810 114.810 113.831 0.979 25454 3977 1 10 . 1 1 6 6 LYS HA H 6 3.221 3.221 2.812 0.409 25454 3978 1 10 . 1 1 6 6 LYS C C 6 177.448 177.448 175.661 1.787 25454 3979 1 10 . 1 1 6 6 LYS CA C 6 57.740 57.740 56.794 0.946 25454 3980 1 10 . 1 1 6 6 LYS CB C 6 31.830 31.830 31.131 0.699 25454 3981 1 10 . 1 1 6 6 LYS H H 6 7.776 7.776 8.046 -0.270 25454 3982 1 10 . 1 1 7 7 ASP N N 7 119.190 119.190 118.438 0.752 25454 3983 1 10 . 1 1 7 7 ASP HA H 7 4.748 4.748 4.880 -0.132 25454 3984 1 10 . 1 1 7 7 ASP C C 7 176.254 176.254 175.019 1.235 25454 3985 1 10 . 1 1 7 7 ASP CA C 7 53.800 53.800 52.658 1.142 25454 3986 1 10 . 1 1 7 7 ASP CB C 7 41.560 41.560 41.951 -0.391 25454 3987 1 10 . 1 1 7 7 ASP H H 7 7.744 7.744 7.500 0.244 25454 3988 1 10 . 1 1 8 8 MET N N 8 122.540 122.540 121.783 0.757 25454 3989 1 10 . 1 1 8 8 MET HA H 8 4.502 4.502 4.454 0.048 25454 3990 1 10 . 1 1 8 8 MET C C 8 176.932 176.932 175.767 1.165 25454 3991 1 10 . 1 1 8 8 MET CA C 8 56.390 56.390 56.520 -0.130 25454 3992 1 10 . 1 1 8 8 MET CB C 8 35.300 35.300 33.334 1.966 25454 3993 1 10 . 1 1 8 8 MET H H 8 7.925 7.925 7.376 0.549 25454 3994 1 10 . 1 1 9 9 THR N N 9 121.410 121.410 122.398 -0.988 25454 3995 1 10 . 1 1 9 9 THR HA H 9 4.794 4.794 4.316 0.478 25454 3996 1 10 . 1 1 9 9 THR C C 9 176.198 176.198 175.128 1.070 25454 3997 1 10 . 1 1 9 9 THR CA C 9 61.960 61.960 62.743 -0.783 25454 3998 1 10 . 1 1 9 9 THR CB C 9 72.200 72.200 70.218 1.982 25454 3999 1 10 . 1 1 9 9 THR H H 9 9.927 9.927 8.254 1.673 25454 4000 1 10 . 1 1 10 10 CYS N N 10 121.150 121.150 126.209 -5.059 25454 4001 1 10 . 1 1 10 10 CYS HA H 10 4.685 4.685 4.310 0.375 25454 4002 1 10 . 1 1 10 10 CYS C C 10 177.324 177.324 177.188 0.136 25454 4003 1 10 . 1 1 10 10 CYS CA C 10 56.970 56.970 62.019 -5.049 25454 4004 1 10 . 1 1 10 10 CYS CB C 10 32.440 32.440 26.014 6.426 25454 4005 1 10 . 1 1 10 10 CYS H H 10 9.765 9.765 8.854 0.911 25454 4006 1 10 . 1 1 11 11 GLN N N 11 121.360 121.360 120.046 1.314 25454 4007 1 10 . 1 1 11 11 GLN HA H 11 3.894 3.894 4.045 -0.151 25454 4008 1 10 . 1 1 11 11 GLN C C 11 176.902 176.902 177.812 -0.910 25454 4009 1 10 . 1 1 11 11 GLN CA C 11 58.680 58.680 58.797 -0.117 25454 4010 1 10 . 1 1 11 11 GLN CB C 11 28.900 28.900 28.199 0.701 25454 4011 1 10 . 1 1 11 11 GLN H H 11 8.583 8.583 7.977 0.606 25454 4012 1 10 . 1 1 12 12 GLU N N 12 117.090 117.090 118.778 -1.688 25454 4013 1 10 . 1 1 12 12 GLU HA H 12 3.983 3.983 4.143 -0.160 25454 4014 1 10 . 1 1 12 12 GLU C C 12 179.763 179.763 179.395 0.368 25454 4015 1 10 . 1 1 12 12 GLU CA C 12 59.528 59.528 58.647 0.881 25454 4016 1 10 . 1 1 12 12 GLU CB C 12 31.830 31.830 29.459 2.371 25454 4017 1 10 . 1 1 12 12 GLU H H 12 7.867 7.867 8.027 -0.160 25454 4018 1 10 . 1 1 13 13 PHE N N 13 119.630 119.630 121.791 -2.161 25454 4019 1 10 . 1 1 13 13 PHE HA H 13 4.269 4.269 4.270 -0.001 25454 4020 1 10 . 1 1 13 13 PHE C C 13 176.432 176.432 177.944 -1.512 25454 4021 1 10 . 1 1 13 13 PHE CA C 13 61.150 61.150 61.335 -0.185 25454 4022 1 10 . 1 1 13 13 PHE CB C 13 39.520 39.520 39.660 -0.140 25454 4023 1 10 . 1 1 13 13 PHE H H 13 8.182 8.182 8.552 -0.370 25454 4024 1 10 . 1 1 14 14 ILE N N 14 114.180 114.180 114.109 0.071 25454 4025 1 10 . 1 1 14 14 ILE HA H 14 3.761 3.761 3.814 -0.053 25454 4026 1 10 . 1 1 14 14 ILE C C 14 177.089 177.089 175.844 1.245 25454 4027 1 10 . 1 1 14 14 ILE CA C 14 63.030 63.030 63.006 0.024 25454 4028 1 10 . 1 1 14 14 ILE CB C 14 36.740 36.740 37.102 -0.362 25454 4029 1 10 . 1 1 14 14 ILE H H 14 8.191 8.191 8.055 0.136 25454 4030 1 10 . 1 1 15 15 ASP N N 15 120.260 120.260 119.451 0.809 25454 4031 1 10 . 1 1 15 15 ASP HA H 15 4.716 4.716 4.705 0.011 25454 4032 1 10 . 1 1 15 15 ASP C C 15 174.697 174.697 176.318 -1.621 25454 4033 1 10 . 1 1 15 15 ASP CA C 15 54.080 54.080 53.816 0.264 25454 4034 1 10 . 1 1 15 15 ASP CB C 15 40.810 40.810 42.340 -1.530 25454 4035 1 10 . 1 1 15 15 ASP H H 15 7.478 7.478 7.668 -0.190 25454 4036 1 10 . 1 1 16 16 LEU N N 16 122.985 122.985 119.466 3.519 25454 4037 1 10 . 1 1 16 16 LEU HA H 16 4.067 4.067 4.333 -0.266 25454 4038 1 10 . 1 1 16 16 LEU C C 16 176.710 176.710 176.131 0.579 25454 4039 1 10 . 1 1 16 16 LEU CA C 16 55.028 55.028 55.063 -0.035 25454 4040 1 10 . 1 1 16 16 LEU CB C 16 43.370 43.370 42.687 0.683 25454 4041 1 10 . 1 1 16 16 LEU H H 16 7.226 7.226 7.376 -0.150 25454 4042 1 10 . 1 1 17 17 ASN N N 17 119.620 119.620 119.602 0.018 25454 4043 1 10 . 1 1 17 17 ASN HA H 17 4.634 4.634 4.794 -0.160 25454 4044 1 10 . 1 1 17 17 ASN CA C 17 52.048 52.048 51.199 0.849 25454 4045 1 10 . 1 1 17 17 ASN CB C 17 39.480 39.480 38.475 1.005 25454 4046 1 10 . 1 1 17 17 ASN H H 17 7.265 7.265 8.381 -1.116 25454 4047 1 10 . 1 1 18 18 PRO HA H 18 4.137 4.137 4.111 0.026 25454 4048 1 10 . 1 1 18 18 PRO C C 18 179.247 179.247 178.051 1.196 25454 4049 1 10 . 1 1 18 18 PRO CA C 18 65.370 65.370 64.910 0.460 25454 4050 1 10 . 1 1 18 18 PRO CB C 18 32.610 32.610 31.942 0.668 25454 4051 1 10 . 1 1 19 19 LYS N N 19 116.450 116.450 118.615 -2.165 25454 4052 1 10 . 1 1 19 19 LYS HA H 19 3.856 3.856 3.972 -0.116 25454 4053 1 10 . 1 1 19 19 LYS C C 19 176.995 176.995 179.047 -2.052 25454 4054 1 10 . 1 1 19 19 LYS CA C 19 59.080 59.080 59.671 -0.591 25454 4055 1 10 . 1 1 19 19 LYS CB C 19 34.940 34.940 31.925 3.015 25454 4056 1 10 . 1 1 19 19 LYS H H 19 8.445 8.445 8.812 -0.367 25454 4057 1 10 . 1 1 20 20 ALA N N 20 116.170 116.170 121.423 -5.253 25454 4058 1 10 . 1 1 20 20 ALA HA H 20 4.255 4.255 4.314 -0.059 25454 4059 1 10 . 1 1 20 20 ALA C C 20 177.511 177.511 179.412 -1.901 25454 4060 1 10 . 1 1 20 20 ALA CA C 20 51.640 51.640 53.999 -2.359 25454 4061 1 10 . 1 1 20 20 ALA CB C 20 21.660 21.660 18.060 3.600 25454 4062 1 10 . 1 1 20 20 ALA H H 20 8.400 8.400 7.757 0.643 25454 4063 1 10 . 1 1 21 21 MET N N 21 117.850 117.850 118.811 -0.961 25454 4064 1 10 . 1 1 21 21 MET HA H 21 3.645 3.645 4.049 -0.404 25454 4065 1 10 . 1 1 21 21 MET C C 21 177.511 177.511 177.765 -0.254 25454 4066 1 10 . 1 1 21 21 MET CA C 21 61.418 61.418 59.765 1.653 25454 4067 1 10 . 1 1 21 21 MET CB C 21 33.220 33.220 32.629 0.591 25454 4068 1 10 . 1 1 21 21 MET H H 21 7.206 7.206 8.534 -1.328 25454 4069 1 10 . 1 1 22 22 THR N N 22 114.690 114.690 115.739 -1.049 25454 4070 1 10 . 1 1 22 22 THR HA H 22 4.115 4.115 4.213 -0.098 25454 4071 1 10 . 1 1 22 22 THR CA C 22 69.550 69.550 68.491 1.059 25454 4072 1 10 . 1 1 22 22 THR CB C 22 65.700 65.700 66.952 -1.252 25454 4073 1 10 . 1 1 22 22 THR H H 22 8.695 8.695 7.705 0.990 25454 4074 1 10 . 1 1 23 23 PRO HA H 23 3.550 3.550 4.344 -0.794 25454 4075 1 10 . 1 1 23 23 PRO C C 23 178.637 178.637 178.825 -0.188 25454 4076 1 10 . 1 1 23 23 PRO CA C 23 65.770 65.770 65.959 -0.189 25454 4077 1 10 . 1 1 23 23 PRO CB C 23 31.182 31.182 31.213 -0.031 25454 4078 1 10 . 1 1 24 24 VAL N N 24 115.820 115.820 118.108 -2.288 25454 4079 1 10 . 1 1 24 24 VAL HA H 24 3.675 3.675 4.022 -0.347 25454 4080 1 10 . 1 1 24 24 VAL C C 24 177.464 177.464 178.466 -1.002 25454 4081 1 10 . 1 1 24 24 VAL CA C 24 67.490 67.490 66.487 1.003 25454 4082 1 10 . 1 1 24 24 VAL CB C 24 31.970 31.970 30.911 1.059 25454 4083 1 10 . 1 1 24 24 VAL H H 24 7.441 7.441 7.777 -0.336 25454 4084 1 10 . 1 1 25 25 ALA N N 25 122.670 122.670 121.832 0.838 25454 4085 1 10 . 1 1 25 25 ALA HA H 25 3.783 3.783 4.268 -0.485 25454 4086 1 10 . 1 1 25 25 ALA C C 25 178.497 178.497 179.028 -0.531 25454 4087 1 10 . 1 1 25 25 ALA CA C 25 55.620 55.620 54.910 0.710 25454 4088 1 10 . 1 1 25 25 ALA CB C 25 18.852 18.852 18.526 0.327 25454 4089 1 10 . 1 1 25 25 ALA H H 25 8.805 8.805 7.894 0.911 25454 4090 1 10 . 1 1 26 26 TRP N N 26 118.270 118.270 120.787 -2.517 25454 4091 1 10 . 1 1 26 26 TRP HA H 26 3.709 3.709 4.626 -0.917 25454 4092 1 10 . 1 1 26 26 TRP C C 26 178.309 178.309 177.306 1.003 25454 4093 1 10 . 1 1 26 26 TRP CA C 26 63.940 63.940 60.230 3.710 25454 4094 1 10 . 1 1 26 26 TRP CB C 26 29.740 29.740 30.822 -1.082 25454 4095 1 10 . 1 1 26 26 TRP H H 26 9.181 9.181 7.844 1.337 25454 4096 1 10 . 1 1 27 27 TRP N N 27 119.740 119.740 120.693 -0.953 25454 4097 1 10 . 1 1 27 27 TRP HA H 27 4.118 4.118 4.646 -0.528 25454 4098 1 10 . 1 1 27 27 TRP C C 27 177.511 177.511 178.138 -0.627 25454 4099 1 10 . 1 1 27 27 TRP CA C 27 60.588 60.588 61.663 -1.075 25454 4100 1 10 . 1 1 27 27 TRP CB C 27 30.021 30.021 29.535 0.485 25454 4101 1 10 . 1 1 27 27 TRP H H 27 8.527 8.527 9.236 -0.709 25454 4102 1 10 . 1 1 28 28 MET N N 28 119.130 119.130 117.320 1.810 25454 4103 1 10 . 1 1 28 28 MET HA H 28 3.618 3.618 3.148 0.470 25454 4104 1 10 . 1 1 28 28 MET C C 28 177.587 177.587 176.926 0.661 25454 4105 1 10 . 1 1 28 28 MET CA C 28 58.540 58.540 57.733 0.807 25454 4106 1 10 . 1 1 28 28 MET CB C 28 29.392 29.392 31.553 -2.161 25454 4107 1 10 . 1 1 28 28 MET H H 28 7.756 7.756 7.916 -0.160 25454 4108 1 10 . 1 1 29 29 LEU N N 29 117.820 117.820 116.531 1.289 25454 4109 1 10 . 1 1 29 29 LEU HA H 29 3.559 3.559 3.974 -0.415 25454 4110 1 10 . 1 1 29 29 LEU C C 29 179.417 179.417 177.827 1.590 25454 4111 1 10 . 1 1 29 29 LEU CA C 29 57.043 57.043 56.555 0.488 25454 4112 1 10 . 1 1 29 29 LEU CB C 29 42.676 42.676 42.242 0.434 25454 4113 1 10 . 1 1 29 29 LEU H H 29 7.838 7.838 7.532 0.306 25454 4114 1 10 . 1 1 30 30 HIS N N 30 113.790 113.790 114.056 -0.266 25454 4115 1 10 . 1 1 30 30 HIS HA H 30 4.059 4.059 4.365 -0.306 25454 4116 1 10 . 1 1 30 30 HIS C C 30 176.289 176.289 174.126 2.163 25454 4117 1 10 . 1 1 30 30 HIS CA C 30 56.030 56.030 54.505 1.525 25454 4118 1 10 . 1 1 30 30 HIS CB C 30 29.216 29.216 31.388 -2.172 25454 4119 1 10 . 1 1 30 30 HIS H H 30 7.757 7.757 8.115 -0.358 25454 4120 1 10 . 1 1 31 31 GLU N N 31 125.870 125.870 116.088 9.782 25454 4121 1 10 . 1 1 31 31 GLU HA H 31 4.450 4.450 3.941 0.509 25454 4122 1 10 . 1 1 31 31 GLU C C 31 176.775 176.775 176.036 0.739 25454 4123 1 10 . 1 1 31 31 GLU CA C 31 56.160 56.160 57.102 -0.942 25454 4124 1 10 . 1 1 31 31 GLU CB C 31 28.386 28.386 29.323 -0.937 25454 4125 1 10 . 1 1 31 31 GLU H H 31 8.916 8.916 7.254 1.662 25454 4126 1 10 . 1 1 32 32 GLU N N 32 116.185 116.185 118.224 -2.039 25454 4127 1 10 . 1 1 32 32 GLU HA H 32 3.563 3.563 4.046 -0.483 25454 4128 1 10 . 1 1 32 32 GLU C C 32 174.994 174.994 176.582 -1.588 25454 4129 1 10 . 1 1 32 32 GLU CA C 32 58.090 58.090 57.274 0.816 25454 4130 1 10 . 1 1 32 32 GLU CB C 32 26.783 26.783 29.466 -2.683 25454 4131 1 10 . 1 1 32 32 GLU H H 32 9.330 9.330 8.517 0.813 25454 4132 1 10 . 1 1 33 33 THR N N 33 110.202 110.202 114.625 -4.423 25454 4133 1 10 . 1 1 33 33 THR HA H 33 4.696 4.696 4.189 0.507 25454 4134 1 10 . 1 1 33 33 THR C C 33 173.529 173.529 174.194 -0.665 25454 4135 1 10 . 1 1 33 33 THR CA C 33 60.129 60.129 61.833 -1.704 25454 4136 1 10 . 1 1 33 33 THR CB C 33 71.864 71.864 69.630 2.234 25454 4137 1 10 . 1 1 33 33 THR H H 33 7.620 7.620 7.521 0.099 25454 4138 1 10 . 1 1 34 34 VAL N N 34 121.967 121.967 121.134 0.833 25454 4139 1 10 . 1 1 34 34 VAL HA H 34 4.139 4.139 4.123 0.016 25454 4140 1 10 . 1 1 34 34 VAL C C 34 172.579 172.579 174.699 -2.120 25454 4141 1 10 . 1 1 34 34 VAL CA C 34 63.032 63.032 60.925 2.107 25454 4142 1 10 . 1 1 34 34 VAL CB C 34 32.594 32.594 33.809 -1.215 25454 4143 1 10 . 1 1 34 34 VAL H H 34 8.308 8.308 8.088 0.220 25454 4144 1 10 . 1 1 35 35 TYR N N 35 129.550 129.550 123.312 6.238 25454 4145 1 10 . 1 1 35 35 TYR HA H 35 4.562 4.562 4.510 0.052 25454 4146 1 10 . 1 1 35 35 TYR CA C 35 58.660 58.660 56.954 1.706 25454 4147 1 10 . 1 1 35 35 TYR CB C 35 39.520 39.520 38.748 0.772 25454 4148 1 10 . 1 1 35 35 TYR H H 35 8.610 8.610 8.246 0.364 25454 4149 1 10 . 1 1 36 36 LYS N N 36 129.360 129.360 119.679 9.681 25454 4150 1 10 . 1 1 36 36 LYS HA H 36 4.411 4.411 4.281 0.130 25454 4151 1 10 . 1 1 36 36 LYS CA C 36 55.626 55.626 56.812 -1.186 25454 4152 1 10 . 1 1 36 36 LYS CB C 36 32.790 32.790 33.150 -0.360 25454 4153 1 10 . 1 1 36 36 LYS H H 36 8.509 8.509 8.744 -0.235 25454 4154 1 10 . 1 1 37 37 GLY N N 37 109.150 109.150 104.672 4.478 25454 4155 1 10 . 1 1 37 37 GLY C C 37 174.428 174.428 174.204 0.224 25454 4156 1 10 . 1 1 37 37 GLY CA C 37 46.427 46.427 45.217 1.210 25454 4157 1 10 . 1 1 37 37 GLY H H 37 6.819 6.819 8.168 -1.349 25454 4158 1 10 . 1 1 38 38 GLY N N 38 110.780 110.780 109.084 1.696 25454 4159 1 10 . 1 1 38 38 GLY C C 38 174.108 174.108 172.979 1.129 25454 4160 1 10 . 1 1 38 38 GLY CA C 38 44.972 44.972 44.352 0.619 25454 4161 1 10 . 1 1 38 38 GLY H H 38 8.365 8.365 7.835 0.530 25454 4162 1 10 . 1 1 39 39 ASP N N 39 120.800 120.800 115.028 5.772 25454 4163 1 10 . 1 1 39 39 ASP HA H 39 4.789 4.789 4.908 -0.119 25454 4164 1 10 . 1 1 39 39 ASP C C 39 177.820 177.820 175.823 1.997 25454 4165 1 10 . 1 1 39 39 ASP CA C 39 55.340 55.340 53.915 1.425 25454 4166 1 10 . 1 1 39 39 ASP CB C 39 41.150 41.150 41.355 -0.205 25454 4167 1 10 . 1 1 39 39 ASP H H 39 8.476 8.476 8.378 0.098 25454 4168 1 10 . 1 1 40 40 THR N N 40 111.201 111.201 118.950 -7.749 25454 4169 1 10 . 1 1 40 40 THR HA H 40 3.753 3.753 4.420 -0.667 25454 4170 1 10 . 1 1 40 40 THR C C 40 175.526 175.526 175.420 0.106 25454 4171 1 10 . 1 1 40 40 THR CA C 40 60.300 60.300 62.363 -2.063 25454 4172 1 10 . 1 1 40 40 THR CB C 40 71.278 71.278 67.506 3.772 25454 4173 1 10 . 1 1 40 40 THR H H 40 8.132 8.132 8.086 0.046 25454 4174 1 10 . 1 1 41 41 VAL N N 41 125.014 125.014 118.047 6.967 25454 4175 1 10 . 1 1 41 41 VAL HA H 41 3.831 3.831 4.500 -0.669 25454 4176 1 10 . 1 1 41 41 VAL C C 41 174.100 174.100 176.394 -2.294 25454 4177 1 10 . 1 1 41 41 VAL CA C 41 63.988 63.988 63.778 0.210 25454 4178 1 10 . 1 1 41 41 VAL CB C 41 30.465 30.465 31.233 -0.768 25454 4179 1 10 . 1 1 41 41 VAL H H 41 8.278 8.278 7.890 0.388 25454 4180 1 10 . 1 1 42 42 THR N N 42 121.970 121.970 116.719 5.251 25454 4181 1 10 . 1 1 42 42 THR HA H 42 4.603 4.603 4.148 0.455 25454 4182 1 10 . 1 1 42 42 THR C C 42 172.978 172.978 174.814 -1.836 25454 4183 1 10 . 1 1 42 42 THR CA C 42 60.166 60.166 64.083 -3.917 25454 4184 1 10 . 1 1 42 42 THR CB C 42 70.588 70.588 69.536 1.052 25454 4185 1 10 . 1 1 42 42 THR H H 42 7.849 7.849 7.823 0.026 25454 4186 1 10 . 1 1 43 43 LEU N N 43 122.979 122.979 124.817 -1.838 25454 4187 1 10 . 1 1 43 43 LEU HA H 43 5.041 5.041 4.302 0.739 25454 4188 1 10 . 1 1 43 43 LEU CA C 43 55.072 55.072 55.207 -0.135 25454 4189 1 10 . 1 1 43 43 LEU CB C 43 42.661 42.661 41.340 1.321 25454 4190 1 10 . 1 1 43 43 LEU H H 43 8.310 8.310 8.472 -0.162 25454 4191 1 10 . 1 1 44 44 ASN N N 44 124.579 124.579 124.379 0.200 25454 4192 1 10 . 1 1 44 44 ASN HA H 44 5.135 5.135 4.847 0.288 25454 4193 1 10 . 1 1 44 44 ASN C C 44 175.736 175.736 175.876 -0.140 25454 4194 1 10 . 1 1 44 44 ASN CA C 44 50.814 50.814 52.653 -1.839 25454 4195 1 10 . 1 1 44 44 ASN CB C 44 40.280 40.280 39.638 0.642 25454 4196 1 10 . 1 1 44 44 ASN H H 44 9.542 9.542 9.022 0.520 25454 4197 1 10 . 1 1 45 45 GLU N N 45 118.210 118.210 120.566 -2.356 25454 4198 1 10 . 1 1 45 45 GLU HA H 45 4.088 4.088 4.088 0.000 25454 4199 1 10 . 1 1 45 45 GLU C C 45 179.010 179.010 178.204 0.806 25454 4200 1 10 . 1 1 45 45 GLU CA C 45 60.349 60.349 59.956 0.393 25454 4201 1 10 . 1 1 45 45 GLU CB C 45 28.908 28.908 29.283 -0.375 25454 4202 1 10 . 1 1 45 45 GLU H H 45 8.752 8.752 9.034 -0.282 25454 4203 1 10 . 1 1 46 46 THR N N 46 116.430 116.430 114.239 2.191 25454 4204 1 10 . 1 1 46 46 THR HA H 46 4.114 4.114 4.000 0.114 25454 4205 1 10 . 1 1 46 46 THR C C 46 176.994 176.994 176.292 0.702 25454 4206 1 10 . 1 1 46 46 THR CA C 46 66.260 66.260 67.035 -0.775 25454 4207 1 10 . 1 1 46 46 THR CB C 46 68.270 68.270 68.348 -0.078 25454 4208 1 10 . 1 1 46 46 THR H H 46 8.043 8.043 8.229 -0.186 25454 4209 1 10 . 1 1 47 47 ASP N N 47 124.380 124.380 122.771 1.609 25454 4210 1 10 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.367 -0.023 25454 4211 1 10 . 1 1 47 47 ASP C C 47 178.914 178.914 178.608 0.306 25454 4212 1 10 . 1 1 47 47 ASP CA C 47 58.630 58.630 57.778 0.852 25454 4213 1 10 . 1 1 47 47 ASP CB C 47 42.350 42.350 40.480 1.869 25454 4214 1 10 . 1 1 47 47 ASP H H 47 8.475 8.475 8.193 0.282 25454 4215 1 10 . 1 1 48 48 LEU N N 48 116.889 116.889 119.100 -2.211 25454 4216 1 10 . 1 1 48 48 LEU HA H 48 4.118 4.118 4.129 -0.011 25454 4217 1 10 . 1 1 48 48 LEU C C 48 175.839 175.839 179.140 -3.301 25454 4218 1 10 . 1 1 48 48 LEU CA C 48 57.432 57.432 57.809 -0.377 25454 4219 1 10 . 1 1 48 48 LEU CB C 48 41.430 41.430 41.843 -0.413 25454 4220 1 10 . 1 1 48 48 LEU H H 48 8.082 8.082 8.591 -0.509 25454 4221 1 10 . 1 1 49 49 THR N N 49 112.550 112.550 115.198 -2.648 25454 4222 1 10 . 1 1 49 49 THR HA H 49 4.310 4.310 4.143 0.167 25454 4223 1 10 . 1 1 49 49 THR C C 49 177.306 177.306 176.409 0.897 25454 4224 1 10 . 1 1 49 49 THR CA C 49 64.520 64.520 66.050 -1.530 25454 4225 1 10 . 1 1 49 49 THR CB C 49 69.525 69.525 68.962 0.563 25454 4226 1 10 . 1 1 49 49 THR H H 49 7.743 7.743 7.756 -0.013 25454 4227 1 10 . 1 1 50 50 GLN N N 50 121.570 121.570 120.850 0.720 25454 4228 1 10 . 1 1 50 50 GLN HA H 50 4.344 4.344 4.235 0.109 25454 4229 1 10 . 1 1 50 50 GLN C C 50 178.308 178.308 178.328 -0.020 25454 4230 1 10 . 1 1 50 50 GLN CA C 50 58.630 58.630 57.787 0.843 25454 4231 1 10 . 1 1 50 50 GLN CB C 50 30.850 30.850 28.443 2.407 25454 4232 1 10 . 1 1 50 50 GLN H H 50 8.519 8.519 8.015 0.504 25454 4233 1 10 . 1 1 51 51 ILE N N 51 120.320 120.320 121.495 -1.175 25454 4234 1 10 . 1 1 51 51 ILE HA H 51 3.573 3.573 3.987 -0.414 25454 4235 1 10 . 1 1 51 51 ILE CA C 51 69.155 69.155 65.989 3.166 25454 4236 1 10 . 1 1 51 51 ILE CB C 51 35.659 35.659 35.676 -0.017 25454 4237 1 10 . 1 1 51 51 ILE H H 51 8.663 8.663 8.878 -0.215 25454 4238 1 10 . 1 1 52 52 PRO HA H 52 4.301 4.301 4.432 -0.131 25454 4239 1 10 . 1 1 52 52 PRO C C 52 179.686 179.686 178.616 1.070 25454 4240 1 10 . 1 1 52 52 PRO CA C 52 66.190 66.190 65.327 0.863 25454 4241 1 10 . 1 1 52 52 PRO CB C 52 31.270 31.270 31.417 -0.147 25454 4242 1 10 . 1 1 53 53 LYS N N 53 116.520 116.520 118.615 -2.095 25454 4243 1 10 . 1 1 53 53 LYS HA H 53 4.231 4.231 4.193 0.038 25454 4244 1 10 . 1 1 53 53 LYS C C 53 179.475 179.475 179.113 0.362 25454 4245 1 10 . 1 1 53 53 LYS CA C 53 59.017 59.017 58.516 0.501 25454 4246 1 10 . 1 1 53 53 LYS CB C 53 31.796 31.796 31.958 -0.162 25454 4247 1 10 . 1 1 53 53 LYS H H 53 7.016 7.016 7.451 -0.435 25454 4248 1 10 . 1 1 54 54 VAL N N 54 125.220 125.220 114.762 10.458 25454 4249 1 10 . 1 1 54 54 VAL HA H 54 3.022 3.022 3.889 -0.867 25454 4250 1 10 . 1 1 54 54 VAL C C 54 177.692 177.692 176.586 1.106 25454 4251 1 10 . 1 1 54 54 VAL CA C 54 65.860 65.860 64.881 0.979 25454 4252 1 10 . 1 1 54 54 VAL CB C 54 30.623 30.623 31.657 -1.034 25454 4253 1 10 . 1 1 54 54 VAL H H 54 8.068 8.068 8.157 -0.089 25454 4254 1 10 . 1 1 55 55 ILE N N 55 119.943 119.943 119.143 0.800 25454 4255 1 10 . 1 1 55 55 ILE HA H 55 3.641 3.641 4.265 -0.624 25454 4256 1 10 . 1 1 55 55 ILE C C 55 177.515 177.515 177.709 -0.194 25454 4257 1 10 . 1 1 55 55 ILE CA C 55 66.896 66.896 63.885 3.011 25454 4258 1 10 . 1 1 55 55 ILE CB C 55 38.500 38.500 39.067 -0.567 25454 4259 1 10 . 1 1 55 55 ILE H H 55 7.589 7.589 7.415 0.174 25454 4260 1 10 . 1 1 56 56 GLU N N 56 118.310 118.310 120.970 -2.660 25454 4261 1 10 . 1 1 56 56 GLU HA H 56 4.010 4.010 4.035 -0.025 25454 4262 1 10 . 1 1 56 56 GLU C C 56 178.518 178.518 179.247 -0.729 25454 4263 1 10 . 1 1 56 56 GLU CA C 56 59.603 59.603 59.758 -0.155 25454 4264 1 10 . 1 1 56 56 GLU CB C 56 29.776 29.776 29.655 0.121 25454 4265 1 10 . 1 1 56 56 GLU H H 56 7.794 7.794 8.510 -0.716 25454 4266 1 10 . 1 1 57 57 TYR N N 57 120.510 120.510 119.629 0.881 25454 4267 1 10 . 1 1 57 57 TYR HA H 57 4.239 4.239 4.268 -0.029 25454 4268 1 10 . 1 1 57 57 TYR C C 57 178.919 178.919 177.762 1.157 25454 4269 1 10 . 1 1 57 57 TYR CA C 57 61.600 61.600 59.516 2.084 25454 4270 1 10 . 1 1 57 57 TYR CB C 57 39.060 39.060 37.677 1.383 25454 4271 1 10 . 1 1 57 57 TYR H H 57 8.495 8.495 8.488 0.007 25454 4272 1 10 . 1 1 58 58 CYS N N 58 117.760 117.760 117.919 -0.159 25454 4273 1 10 . 1 1 58 58 CYS HA H 58 4.685 4.685 4.398 0.287 25454 4274 1 10 . 1 1 58 58 CYS C C 58 177.217 177.217 176.490 0.727 25454 4275 1 10 . 1 1 58 58 CYS CA C 58 52.020 52.020 61.589 -9.569 25454 4276 1 10 . 1 1 58 58 CYS CB C 58 31.667 31.667 27.248 4.419 25454 4277 1 10 . 1 1 58 58 CYS H H 58 8.672 8.672 7.987 0.685 25454 4278 1 10 . 1 1 59 59 LYS N N 59 120.550 120.550 120.225 0.325 25454 4279 1 10 . 1 1 59 59 LYS HA H 59 4.008 4.008 4.149 -0.141 25454 4280 1 10 . 1 1 59 59 LYS C C 59 179.247 179.247 178.343 0.904 25454 4281 1 10 . 1 1 59 59 LYS CA C 59 59.790 59.790 58.731 1.059 25454 4282 1 10 . 1 1 59 59 LYS CB C 59 32.800 32.800 32.146 0.654 25454 4283 1 10 . 1 1 59 59 LYS H H 59 8.481 8.481 8.198 0.283 25454 4284 1 10 . 1 1 60 60 LYS N N 60 116.830 116.830 118.306 -1.476 25454 4285 1 10 . 1 1 60 60 LYS HA H 60 4.166 4.166 4.264 -0.098 25454 4286 1 10 . 1 1 60 60 LYS C C 60 176.432 176.432 177.517 -1.085 25454 4287 1 10 . 1 1 60 60 LYS CA C 60 57.260 57.260 57.995 -0.735 25454 4288 1 10 . 1 1 60 60 LYS CB C 60 33.760 33.760 33.275 0.485 25454 4289 1 10 . 1 1 60 60 LYS H H 60 7.455 7.455 8.057 -0.602 25454 4290 1 10 . 1 1 61 61 ASN N N 61 117.140 117.140 119.110 -1.970 25454 4291 1 10 . 1 1 61 61 ASN HA H 61 4.686 4.686 5.481 -0.795 25454 4292 1 10 . 1 1 61 61 ASN CA C 61 51.300 51.300 51.019 0.281 25454 4293 1 10 . 1 1 61 61 ASN CB C 61 40.208 40.208 39.712 0.497 25454 4294 1 10 . 1 1 61 61 ASN H H 61 7.368 7.368 7.988 -0.620 25454 4295 1 10 . 1 1 62 62 PRO HA H 62 4.227 4.227 4.439 -0.212 25454 4296 1 10 . 1 1 62 62 PRO C C 62 177.511 177.511 177.583 -0.072 25454 4297 1 10 . 1 1 62 62 PRO CA C 62 65.430 65.430 64.817 0.614 25454 4298 1 10 . 1 1 62 62 PRO CB C 62 31.800 31.800 32.190 -0.390 25454 4299 1 10 . 1 1 63 63 GLN N N 63 114.045 114.045 113.801 0.244 25454 4300 1 10 . 1 1 63 63 GLN HA H 63 4.450 4.450 4.199 0.251 25454 4301 1 10 . 1 1 63 63 GLN C C 63 177.766 177.766 176.423 1.343 25454 4302 1 10 . 1 1 63 63 GLN CA C 63 56.200 56.200 57.156 -0.956 25454 4303 1 10 . 1 1 63 63 GLN CB C 63 28.200 28.200 28.215 -0.015 25454 4304 1 10 . 1 1 63 63 GLN H H 63 8.578 8.578 8.396 0.182 25454 4305 1 10 . 1 1 64 64 LYS N N 64 119.960 119.960 120.460 -0.500 25454 4306 1 10 . 1 1 64 64 LYS HA H 64 4.452 4.452 4.190 0.262 25454 4307 1 10 . 1 1 64 64 LYS C C 64 176.151 176.151 175.360 0.791 25454 4308 1 10 . 1 1 64 64 LYS CA C 64 55.660 55.660 55.833 -0.173 25454 4309 1 10 . 1 1 64 64 LYS CB C 64 33.500 33.500 32.845 0.655 25454 4310 1 10 . 1 1 64 64 LYS H H 64 7.628 7.628 7.641 -0.013 25454 4311 1 10 . 1 1 65 65 ASN N N 65 120.139 120.139 118.964 1.175 25454 4312 1 10 . 1 1 65 65 ASN HA H 65 4.807 4.807 4.592 0.215 25454 4313 1 10 . 1 1 65 65 ASN CA C 65 54.070 54.070 52.603 1.467 25454 4314 1 10 . 1 1 65 65 ASN CB C 65 38.070 38.070 39.453 -1.383 25454 4315 1 10 . 1 1 65 65 ASN H H 65 8.936 8.936 8.435 0.501 25454 4316 1 10 . 1 1 66 66 LEU N N 66 129.960 129.960 128.341 1.619 25454 4317 1 10 . 1 1 66 66 LEU HA H 66 4.165 4.165 3.466 0.699 25454 4318 1 10 . 1 1 66 66 LEU C C 66 176.948 176.948 177.581 -0.633 25454 4319 1 10 . 1 1 66 66 LEU CA C 66 59.220 59.220 57.440 1.780 25454 4320 1 10 . 1 1 66 66 LEU CB C 66 42.830 42.830 41.999 0.831 25454 4321 1 10 . 1 1 66 66 LEU H H 66 8.939 8.939 8.479 0.460 25454 4322 1 10 . 1 1 67 67 TYR N N 67 115.770 115.770 116.114 -0.344 25454 4323 1 10 . 1 1 67 67 TYR HA H 67 4.077 4.077 4.282 -0.205 25454 4324 1 10 . 1 1 67 67 TYR C C 67 178.731 178.731 177.846 0.885 25454 4325 1 10 . 1 1 67 67 TYR CA C 67 61.277 61.277 58.438 2.838 25454 4326 1 10 . 1 1 67 67 TYR CB C 67 36.768 36.768 37.808 -1.040 25454 4327 1 10 . 1 1 67 67 TYR H H 67 9.409 9.409 7.892 1.517 25454 4328 1 10 . 1 1 68 68 THR N N 68 112.470 112.470 116.442 -3.972 25454 4329 1 10 . 1 1 68 68 THR HA H 68 4.268 4.268 4.027 0.241 25454 4330 1 10 . 1 1 68 68 THR C C 68 176.104 176.104 176.651 -0.547 25454 4331 1 10 . 1 1 68 68 THR CA C 68 64.650 64.650 66.084 -1.434 25454 4332 1 10 . 1 1 68 68 THR CB C 68 70.268 70.268 68.269 1.999 25454 4333 1 10 . 1 1 68 68 THR H H 68 8.076 8.076 8.243 -0.167 25454 4334 1 10 . 1 1 69 69 PHE N N 69 123.660 123.660 120.122 3.538 25454 4335 1 10 . 1 1 69 69 PHE HA H 69 2.811 2.811 4.536 -1.725 25454 4336 1 10 . 1 1 69 69 PHE C C 69 176.290 176.290 176.423 -0.133 25454 4337 1 10 . 1 1 69 69 PHE CA C 69 61.510 61.510 56.971 4.539 25454 4338 1 10 . 1 1 69 69 PHE CB C 69 39.610 39.610 37.430 2.180 25454 4339 1 10 . 1 1 69 69 PHE H H 69 7.969 7.969 7.677 0.292 25454 4340 1 10 . 1 1 70 70 LYS N N 70 113.530 113.530 119.160 -5.630 25454 4341 1 10 . 1 1 70 70 LYS HA H 70 3.757 3.757 4.171 -0.414 25454 4342 1 10 . 1 1 70 70 LYS C C 70 176.269 176.269 178.520 -2.251 25454 4343 1 10 . 1 1 70 70 LYS CA C 70 57.840 57.840 57.383 0.457 25454 4344 1 10 . 1 1 70 70 LYS CB C 70 32.520 32.520 32.620 -0.100 25454 4345 1 10 . 1 1 70 70 LYS H H 70 6.957 6.957 7.730 -0.773 25454 4346 1 10 . 1 1 71 71 ASN N N 71 117.360 117.360 119.356 -1.996 25454 4347 1 10 . 1 1 71 71 ASN HA H 71 4.652 4.652 4.585 0.067 25454 4348 1 10 . 1 1 71 71 ASN C C 71 175.155 175.155 177.035 -1.880 25454 4349 1 10 . 1 1 71 71 ASN CA C 71 53.273 53.273 55.245 -1.972 25454 4350 1 10 . 1 1 71 71 ASN CB C 71 38.870 38.870 38.022 0.848 25454 4351 1 10 . 1 1 71 71 ASN H H 71 7.488 7.488 8.007 -0.519 25454 4352 1 10 . 1 1 72 72 GLN N N 72 119.610 119.610 118.151 1.459 25454 4353 1 10 . 1 1 72 72 GLN HA H 72 4.202 4.202 4.275 -0.073 25454 4354 1 10 . 1 1 72 72 GLN C C 72 179.467 179.467 176.060 3.407 25454 4355 1 10 . 1 1 72 72 GLN CA C 72 56.160 56.160 56.575 -0.415 25454 4356 1 10 . 1 1 72 72 GLN CB C 72 29.460 29.460 28.895 0.565 25454 4357 1 10 . 1 1 72 72 GLN H H 72 7.611 7.611 8.272 -0.661 25454 4358 1 10 . 1 1 73 73 ALA N N 73 125.130 125.130 123.676 1.454 25454 4359 1 10 . 1 1 73 73 ALA HA H 73 4.198 4.198 4.552 -0.354 25454 4360 1 10 . 1 1 73 73 ALA C C 73 177.907 177.907 176.742 1.165 25454 4361 1 10 . 1 1 73 73 ALA CA C 73 52.761 52.761 51.163 1.598 25454 4362 1 10 . 1 1 73 73 ALA CB C 73 19.028 19.028 19.172 -0.144 25454 4363 1 10 . 1 1 73 73 ALA H H 73 8.072 8.072 7.366 0.706 25454 4364 1 10 . 1 1 74 74 SER N N 74 115.100 115.100 120.867 -5.767 25454 4365 1 10 . 1 1 74 74 SER HA H 74 4.344 4.344 4.130 0.214 25454 4366 1 10 . 1 1 74 74 SER C C 74 174.562 174.562 174.977 -0.415 25454 4367 1 10 . 1 1 74 74 SER CA C 74 58.640 58.640 58.848 -0.208 25454 4368 1 10 . 1 1 74 74 SER CB C 74 63.660 63.660 63.640 0.020 25454 4369 1 10 . 1 1 74 74 SER H H 74 8.114 8.114 8.766 -0.652 25454 4370 1 10 . 1 1 75 75 ASN N N 75 120.950 120.950 119.392 1.558 25454 4371 1 10 . 1 1 75 75 ASN HA H 75 4.698 4.698 4.340 0.358 25454 4372 1 10 . 1 1 75 75 ASN C C 75 174.790 174.790 173.814 0.976 25454 4373 1 10 . 1 1 75 75 ASN CA C 75 53.340 53.340 54.514 -1.174 25454 4374 1 10 . 1 1 75 75 ASN CB C 75 38.980 38.980 38.209 0.771 25454 4375 1 10 . 1 1 75 75 ASN H H 75 8.283 8.283 8.143 0.140 25454 4376 1 10 . 1 1 76 76 ASP N N 76 120.550 120.550 121.149 -0.599 25454 4377 1 10 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.742 -0.139 25454 4378 1 10 . 1 1 76 76 ASP C C 76 175.588 175.588 174.316 1.272 25454 4379 1 10 . 1 1 76 76 ASP CA C 76 53.940 53.940 53.853 0.087 25454 4380 1 10 . 1 1 76 76 ASP CB C 76 40.510 40.510 42.403 -1.893 25454 4381 1 10 . 1 1 76 76 ASP H H 76 8.201 8.201 8.281 -0.080 25454 4382 1 10 . 1 1 77 77 LEU N N 77 123.780 123.780 125.781 -2.001 25454 4383 1 10 . 1 1 77 77 LEU HA H 77 4.600 4.600 4.575 0.025 25454 4384 1 10 . 1 1 77 77 LEU CA C 77 52.980 52.980 51.920 1.060 25454 4385 1 10 . 1 1 77 77 LEU CB C 77 41.850 41.850 42.267 -0.417 25454 4386 1 10 . 1 1 77 77 LEU H H 77 8.021 8.021 8.282 -0.261 25454 4387 1 10 . 1 1 78 78 PRO HA H 78 4.417 4.417 4.429 -0.012 25454 4388 1 10 . 1 1 78 78 PRO C C 78 176.058 176.058 175.994 0.064 25454 4389 1 10 . 1 1 78 78 PRO CA C 78 63.260 63.260 62.980 0.280 25454 4390 1 10 . 1 1 78 78 PRO CB C 78 31.956 31.956 32.201 -0.245 25454 4391 1 11 . 1 1 2 2 ASN N N 2 118.440 118.440 118.021 0.419 25454 4392 1 11 . 1 1 2 2 ASN HA H 2 4.660 4.660 4.652 0.008 25454 4393 1 11 . 1 1 2 2 ASN C C 2 174.884 174.884 175.533 -0.649 25454 4394 1 11 . 1 1 2 2 ASN CA C 2 53.730 53.730 53.281 0.449 25454 4395 1 11 . 1 1 2 2 ASN CB C 2 38.500 38.500 38.450 0.050 25454 4396 1 11 . 1 1 2 2 ASN H H 2 8.869 8.869 8.358 0.511 25454 4397 1 11 . 1 1 3 3 GLU N N 3 121.390 121.390 119.357 2.033 25454 4398 1 11 . 1 1 3 3 GLU HA H 3 4.416 4.416 4.199 0.217 25454 4399 1 11 . 1 1 3 3 GLU C C 3 175.916 175.916 176.541 -0.625 25454 4400 1 11 . 1 1 3 3 GLU CA C 3 56.300 56.300 57.239 -0.939 25454 4401 1 11 . 1 1 3 3 GLU CB C 3 29.810 29.810 29.659 0.151 25454 4402 1 11 . 1 1 3 3 GLU H H 3 8.560 8.560 8.496 0.064 25454 4403 1 11 . 1 1 4 4 SER N N 4 118.190 118.190 112.118 6.072 25454 4404 1 11 . 1 1 4 4 SER HA H 4 4.716 4.716 4.203 0.513 25454 4405 1 11 . 1 1 4 4 SER C C 4 175.686 175.686 174.572 1.114 25454 4406 1 11 . 1 1 4 4 SER CA C 4 57.890 57.890 57.578 0.312 25454 4407 1 11 . 1 1 4 4 SER CB C 4 65.080 65.080 62.840 2.240 25454 4408 1 11 . 1 1 4 4 SER H H 4 8.802 8.802 7.869 0.933 25454 4409 1 11 . 1 1 5 5 ALA N N 5 128.990 128.990 129.324 -0.334 25454 4410 1 11 . 1 1 5 5 ALA HA H 5 4.142 4.142 4.128 0.014 25454 4411 1 11 . 1 1 5 5 ALA C C 5 179.112 179.112 178.903 0.209 25454 4412 1 11 . 1 1 5 5 ALA CA C 5 55.880 55.880 54.540 1.340 25454 4413 1 11 . 1 1 5 5 ALA CB C 5 18.110 18.110 19.048 -0.938 25454 4414 1 11 . 1 1 5 5 ALA H H 5 8.992 8.992 8.999 -0.007 25454 4415 1 11 . 1 1 6 6 LYS N N 6 114.810 114.810 115.745 -0.935 25454 4416 1 11 . 1 1 6 6 LYS HA H 6 3.221 3.221 2.847 0.374 25454 4417 1 11 . 1 1 6 6 LYS C C 6 177.448 177.448 176.924 0.524 25454 4418 1 11 . 1 1 6 6 LYS CA C 6 57.740 57.740 58.309 -0.569 25454 4419 1 11 . 1 1 6 6 LYS CB C 6 31.830 31.830 31.939 -0.109 25454 4420 1 11 . 1 1 6 6 LYS H H 6 7.776 7.776 7.744 0.032 25454 4421 1 11 . 1 1 7 7 ASP N N 7 119.190 119.190 116.482 2.708 25454 4422 1 11 . 1 1 7 7 ASP HA H 7 4.748 4.748 4.760 -0.012 25454 4423 1 11 . 1 1 7 7 ASP C C 7 176.254 176.254 175.454 0.800 25454 4424 1 11 . 1 1 7 7 ASP CA C 7 53.800 53.800 52.868 0.932 25454 4425 1 11 . 1 1 7 7 ASP CB C 7 41.560 41.560 41.468 0.092 25454 4426 1 11 . 1 1 7 7 ASP H H 7 7.744 7.744 7.433 0.311 25454 4427 1 11 . 1 1 8 8 MET N N 8 122.540 122.540 121.330 1.210 25454 4428 1 11 . 1 1 8 8 MET HA H 8 4.502 4.502 4.477 0.025 25454 4429 1 11 . 1 1 8 8 MET C C 8 176.932 176.932 175.861 1.071 25454 4430 1 11 . 1 1 8 8 MET CA C 8 56.390 56.390 56.526 -0.136 25454 4431 1 11 . 1 1 8 8 MET CB C 8 35.300 35.300 33.249 2.051 25454 4432 1 11 . 1 1 8 8 MET H H 8 7.925 7.925 7.362 0.563 25454 4433 1 11 . 1 1 9 9 THR N N 9 121.410 121.410 121.816 -0.406 25454 4434 1 11 . 1 1 9 9 THR HA H 9 4.794 4.794 4.358 0.436 25454 4435 1 11 . 1 1 9 9 THR C C 9 176.198 176.198 175.333 0.865 25454 4436 1 11 . 1 1 9 9 THR CA C 9 61.960 61.960 62.805 -0.845 25454 4437 1 11 . 1 1 9 9 THR CB C 9 72.200 72.200 70.305 1.895 25454 4438 1 11 . 1 1 9 9 THR H H 9 9.927 9.927 8.208 1.719 25454 4439 1 11 . 1 1 10 10 CYS N N 10 121.150 121.150 126.037 -4.887 25454 4440 1 11 . 1 1 10 10 CYS HA H 10 4.685 4.685 4.280 0.405 25454 4441 1 11 . 1 1 10 10 CYS C C 10 177.324 177.324 176.965 0.359 25454 4442 1 11 . 1 1 10 10 CYS CA C 10 56.970 56.970 62.542 -5.572 25454 4443 1 11 . 1 1 10 10 CYS CB C 10 32.440 32.440 25.823 6.617 25454 4444 1 11 . 1 1 10 10 CYS H H 10 9.765 9.765 8.857 0.908 25454 4445 1 11 . 1 1 11 11 GLN N N 11 121.360 121.360 119.728 1.632 25454 4446 1 11 . 1 1 11 11 GLN HA H 11 3.894 3.894 4.097 -0.203 25454 4447 1 11 . 1 1 11 11 GLN C C 11 176.902 176.902 177.645 -0.743 25454 4448 1 11 . 1 1 11 11 GLN CA C 11 58.680 58.680 58.521 0.159 25454 4449 1 11 . 1 1 11 11 GLN CB C 11 28.900 28.900 28.167 0.733 25454 4450 1 11 . 1 1 11 11 GLN H H 11 8.583 8.583 8.432 0.151 25454 4451 1 11 . 1 1 12 12 GLU N N 12 117.090 117.090 119.367 -2.277 25454 4452 1 11 . 1 1 12 12 GLU HA H 12 3.983 3.983 4.138 -0.155 25454 4453 1 11 . 1 1 12 12 GLU C C 12 179.763 179.763 178.945 0.818 25454 4454 1 11 . 1 1 12 12 GLU CA C 12 59.528 59.528 57.826 1.702 25454 4455 1 11 . 1 1 12 12 GLU CB C 12 31.830 31.830 29.859 1.971 25454 4456 1 11 . 1 1 12 12 GLU H H 12 7.867 7.867 7.712 0.155 25454 4457 1 11 . 1 1 13 13 PHE N N 13 119.630 119.630 122.227 -2.597 25454 4458 1 11 . 1 1 13 13 PHE HA H 13 4.269 4.269 4.258 0.011 25454 4459 1 11 . 1 1 13 13 PHE C C 13 176.432 176.432 177.974 -1.542 25454 4460 1 11 . 1 1 13 13 PHE CA C 13 61.150 61.150 61.271 -0.121 25454 4461 1 11 . 1 1 13 13 PHE CB C 13 39.520 39.520 39.640 -0.120 25454 4462 1 11 . 1 1 13 13 PHE H H 13 8.182 8.182 8.571 -0.389 25454 4463 1 11 . 1 1 14 14 ILE N N 14 114.180 114.180 114.197 -0.017 25454 4464 1 11 . 1 1 14 14 ILE HA H 14 3.761 3.761 3.775 -0.014 25454 4465 1 11 . 1 1 14 14 ILE C C 14 177.089 177.089 175.820 1.269 25454 4466 1 11 . 1 1 14 14 ILE CA C 14 63.030 63.030 63.016 0.014 25454 4467 1 11 . 1 1 14 14 ILE CB C 14 36.740 36.740 37.094 -0.354 25454 4468 1 11 . 1 1 14 14 ILE H H 14 8.191 8.191 8.099 0.092 25454 4469 1 11 . 1 1 15 15 ASP N N 15 120.260 120.260 119.251 1.009 25454 4470 1 11 . 1 1 15 15 ASP HA H 15 4.716 4.716 4.649 0.067 25454 4471 1 11 . 1 1 15 15 ASP C C 15 174.697 174.697 176.526 -1.829 25454 4472 1 11 . 1 1 15 15 ASP CA C 15 54.080 54.080 53.613 0.467 25454 4473 1 11 . 1 1 15 15 ASP CB C 15 40.810 40.810 42.710 -1.900 25454 4474 1 11 . 1 1 15 15 ASP H H 15 7.478 7.478 7.592 -0.114 25454 4475 1 11 . 1 1 16 16 LEU N N 16 122.985 122.985 119.445 3.540 25454 4476 1 11 . 1 1 16 16 LEU HA H 16 4.067 4.067 4.244 -0.177 25454 4477 1 11 . 1 1 16 16 LEU C C 16 176.710 176.710 176.195 0.515 25454 4478 1 11 . 1 1 16 16 LEU CA C 16 55.028 55.028 55.262 -0.234 25454 4479 1 11 . 1 1 16 16 LEU CB C 16 43.370 43.370 42.591 0.779 25454 4480 1 11 . 1 1 16 16 LEU H H 16 7.226 7.226 7.294 -0.068 25454 4481 1 11 . 1 1 17 17 ASN N N 17 119.620 119.620 119.105 0.515 25454 4482 1 11 . 1 1 17 17 ASN HA H 17 4.634 4.634 4.774 -0.140 25454 4483 1 11 . 1 1 17 17 ASN CA C 17 52.048 52.048 51.219 0.829 25454 4484 1 11 . 1 1 17 17 ASN CB C 17 39.480 39.480 38.559 0.921 25454 4485 1 11 . 1 1 17 17 ASN H H 17 7.265 7.265 8.370 -1.105 25454 4486 1 11 . 1 1 18 18 PRO HA H 18 4.137 4.137 4.132 0.005 25454 4487 1 11 . 1 1 18 18 PRO C C 18 179.247 179.247 177.902 1.345 25454 4488 1 11 . 1 1 18 18 PRO CA C 18 65.370 65.370 64.461 0.909 25454 4489 1 11 . 1 1 18 18 PRO CB C 18 32.610 32.610 31.927 0.683 25454 4490 1 11 . 1 1 19 19 LYS N N 19 116.450 116.450 118.798 -2.348 25454 4491 1 11 . 1 1 19 19 LYS HA H 19 3.856 3.856 3.946 -0.090 25454 4492 1 11 . 1 1 19 19 LYS C C 19 176.995 176.995 178.923 -1.928 25454 4493 1 11 . 1 1 19 19 LYS CA C 19 59.080 59.080 59.598 -0.518 25454 4494 1 11 . 1 1 19 19 LYS CB C 19 34.940 34.940 31.970 2.970 25454 4495 1 11 . 1 1 19 19 LYS H H 19 8.445 8.445 8.829 -0.384 25454 4496 1 11 . 1 1 20 20 ALA N N 20 116.170 116.170 120.957 -4.787 25454 4497 1 11 . 1 1 20 20 ALA HA H 20 4.255 4.255 4.328 -0.073 25454 4498 1 11 . 1 1 20 20 ALA C C 20 177.511 177.511 179.418 -1.907 25454 4499 1 11 . 1 1 20 20 ALA CA C 20 51.640 51.640 53.848 -2.208 25454 4500 1 11 . 1 1 20 20 ALA CB C 20 21.660 21.660 18.092 3.568 25454 4501 1 11 . 1 1 20 20 ALA H H 20 8.400 8.400 7.651 0.749 25454 4502 1 11 . 1 1 21 21 MET N N 21 117.850 117.850 118.319 -0.469 25454 4503 1 11 . 1 1 21 21 MET HA H 21 3.645 3.645 3.991 -0.346 25454 4504 1 11 . 1 1 21 21 MET C C 21 177.511 177.511 178.230 -0.719 25454 4505 1 11 . 1 1 21 21 MET CA C 21 61.418 61.418 59.995 1.423 25454 4506 1 11 . 1 1 21 21 MET CB C 21 33.220 33.220 32.321 0.899 25454 4507 1 11 . 1 1 21 21 MET H H 21 7.206 7.206 8.062 -0.856 25454 4508 1 11 . 1 1 22 22 THR N N 22 114.690 114.690 115.634 -0.944 25454 4509 1 11 . 1 1 22 22 THR HA H 22 4.115 4.115 4.204 -0.089 25454 4510 1 11 . 1 1 22 22 THR CA C 22 69.550 69.550 68.671 0.879 25454 4511 1 11 . 1 1 22 22 THR CB C 22 65.700 65.700 66.905 -1.205 25454 4512 1 11 . 1 1 22 22 THR H H 22 8.695 8.695 7.858 0.837 25454 4513 1 11 . 1 1 23 23 PRO HA H 23 3.550 3.550 4.045 -0.495 25454 4514 1 11 . 1 1 23 23 PRO C C 23 178.637 178.637 178.621 0.016 25454 4515 1 11 . 1 1 23 23 PRO CA C 23 65.770 65.770 65.796 -0.026 25454 4516 1 11 . 1 1 23 23 PRO CB C 23 31.182 31.182 31.026 0.156 25454 4517 1 11 . 1 1 24 24 VAL N N 24 115.820 115.820 119.119 -3.299 25454 4518 1 11 . 1 1 24 24 VAL HA H 24 3.675 3.675 3.791 -0.116 25454 4519 1 11 . 1 1 24 24 VAL C C 24 177.464 177.464 178.430 -0.966 25454 4520 1 11 . 1 1 24 24 VAL CA C 24 67.490 67.490 66.529 0.961 25454 4521 1 11 . 1 1 24 24 VAL CB C 24 31.970 31.970 31.669 0.301 25454 4522 1 11 . 1 1 24 24 VAL H H 24 7.441 7.441 8.037 -0.596 25454 4523 1 11 . 1 1 25 25 ALA N N 25 122.670 122.670 122.840 -0.170 25454 4524 1 11 . 1 1 25 25 ALA HA H 25 3.783 3.783 4.057 -0.274 25454 4525 1 11 . 1 1 25 25 ALA C C 25 178.497 178.497 178.861 -0.364 25454 4526 1 11 . 1 1 25 25 ALA CA C 25 55.620 55.620 55.357 0.263 25454 4527 1 11 . 1 1 25 25 ALA CB C 25 18.852 18.852 18.431 0.420 25454 4528 1 11 . 1 1 25 25 ALA H H 25 8.805 8.805 8.391 0.414 25454 4529 1 11 . 1 1 26 26 TRP N N 26 118.270 118.270 120.763 -2.493 25454 4530 1 11 . 1 1 26 26 TRP HA H 26 3.709 3.709 4.359 -0.650 25454 4531 1 11 . 1 1 26 26 TRP C C 26 178.309 178.309 177.264 1.045 25454 4532 1 11 . 1 1 26 26 TRP CA C 26 63.940 63.940 59.695 4.245 25454 4533 1 11 . 1 1 26 26 TRP CB C 26 29.740 29.740 30.325 -0.585 25454 4534 1 11 . 1 1 26 26 TRP H H 26 9.181 9.181 7.993 1.188 25454 4535 1 11 . 1 1 27 27 TRP N N 27 119.740 119.740 120.675 -0.935 25454 4536 1 11 . 1 1 27 27 TRP HA H 27 4.118 4.118 5.095 -0.977 25454 4537 1 11 . 1 1 27 27 TRP C C 27 177.511 177.511 178.775 -1.264 25454 4538 1 11 . 1 1 27 27 TRP CA C 27 60.588 60.588 59.192 1.396 25454 4539 1 11 . 1 1 27 27 TRP CB C 27 30.021 30.021 29.043 0.978 25454 4540 1 11 . 1 1 27 27 TRP H H 27 8.527 8.527 8.793 -0.266 25454 4541 1 11 . 1 1 28 28 MET N N 28 119.130 119.130 118.727 0.403 25454 4542 1 11 . 1 1 28 28 MET HA H 28 3.618 3.618 3.215 0.403 25454 4543 1 11 . 1 1 28 28 MET C C 28 177.587 177.587 177.561 0.026 25454 4544 1 11 . 1 1 28 28 MET CA C 28 58.540 58.540 57.621 0.919 25454 4545 1 11 . 1 1 28 28 MET CB C 28 29.392 29.392 31.612 -2.220 25454 4546 1 11 . 1 1 28 28 MET H H 28 7.756 7.756 7.938 -0.182 25454 4547 1 11 . 1 1 29 29 LEU N N 29 117.820 117.820 117.034 0.786 25454 4548 1 11 . 1 1 29 29 LEU HA H 29 3.559 3.559 3.944 -0.385 25454 4549 1 11 . 1 1 29 29 LEU C C 29 179.417 179.417 176.067 3.350 25454 4550 1 11 . 1 1 29 29 LEU CA C 29 57.043 57.043 56.189 0.854 25454 4551 1 11 . 1 1 29 29 LEU CB C 29 42.676 42.676 42.461 0.215 25454 4552 1 11 . 1 1 29 29 LEU H H 29 7.838 7.838 7.759 0.079 25454 4553 1 11 . 1 1 30 30 HIS N N 30 113.790 113.790 114.900 -1.110 25454 4554 1 11 . 1 1 30 30 HIS HA H 30 4.059 4.059 4.800 -0.741 25454 4555 1 11 . 1 1 30 30 HIS C C 30 176.289 176.289 174.247 2.042 25454 4556 1 11 . 1 1 30 30 HIS CA C 30 56.030 56.030 53.695 2.335 25454 4557 1 11 . 1 1 30 30 HIS CB C 30 29.216 29.216 30.431 -1.216 25454 4558 1 11 . 1 1 30 30 HIS H H 30 7.757 7.757 8.589 -0.832 25454 4559 1 11 . 1 1 31 31 GLU N N 31 125.870 125.870 123.867 2.003 25454 4560 1 11 . 1 1 31 31 GLU HA H 31 4.450 4.450 4.407 0.043 25454 4561 1 11 . 1 1 31 31 GLU C C 31 176.775 176.775 177.066 -0.291 25454 4562 1 11 . 1 1 31 31 GLU CA C 31 56.160 56.160 56.579 -0.419 25454 4563 1 11 . 1 1 31 31 GLU CB C 31 28.386 28.386 30.323 -1.937 25454 4564 1 11 . 1 1 31 31 GLU H H 31 8.916 8.916 8.647 0.269 25454 4565 1 11 . 1 1 32 32 GLU N N 32 116.185 116.185 118.727 -2.542 25454 4566 1 11 . 1 1 32 32 GLU HA H 32 3.563 3.563 3.996 -0.433 25454 4567 1 11 . 1 1 32 32 GLU C C 32 174.994 174.994 176.226 -1.232 25454 4568 1 11 . 1 1 32 32 GLU CA C 32 58.090 58.090 56.783 1.307 25454 4569 1 11 . 1 1 32 32 GLU CB C 32 26.783 26.783 28.382 -1.599 25454 4570 1 11 . 1 1 32 32 GLU H H 32 9.330 9.330 8.284 1.046 25454 4571 1 11 . 1 1 33 33 THR N N 33 110.202 110.202 115.211 -5.009 25454 4572 1 11 . 1 1 33 33 THR HA H 33 4.696 4.696 4.219 0.477 25454 4573 1 11 . 1 1 33 33 THR C C 33 173.529 173.529 174.618 -1.089 25454 4574 1 11 . 1 1 33 33 THR CA C 33 60.129 60.129 62.010 -1.881 25454 4575 1 11 . 1 1 33 33 THR CB C 33 71.864 71.864 69.710 2.154 25454 4576 1 11 . 1 1 33 33 THR H H 33 7.620 7.620 7.562 0.058 25454 4577 1 11 . 1 1 34 34 VAL N N 34 121.967 121.967 125.214 -3.247 25454 4578 1 11 . 1 1 34 34 VAL HA H 34 4.139 4.139 4.156 -0.017 25454 4579 1 11 . 1 1 34 34 VAL C C 34 172.579 172.579 177.234 -4.655 25454 4580 1 11 . 1 1 34 34 VAL CA C 34 63.032 63.032 62.407 0.625 25454 4581 1 11 . 1 1 34 34 VAL CB C 34 32.594 32.594 32.483 0.111 25454 4582 1 11 . 1 1 34 34 VAL H H 34 8.308 8.308 8.327 -0.019 25454 4583 1 11 . 1 1 35 35 TYR N N 35 129.550 129.550 129.231 0.319 25454 4584 1 11 . 1 1 35 35 TYR HA H 35 4.562 4.562 4.182 0.380 25454 4585 1 11 . 1 1 35 35 TYR CA C 35 58.660 58.660 58.420 0.240 25454 4586 1 11 . 1 1 35 35 TYR CB C 35 39.520 39.520 36.951 2.569 25454 4587 1 11 . 1 1 35 35 TYR H H 35 8.610 8.610 9.130 -0.520 25454 4588 1 11 . 1 1 36 36 LYS N N 36 129.360 129.360 118.750 10.610 25454 4589 1 11 . 1 1 36 36 LYS HA H 36 4.411 4.411 3.924 0.487 25454 4590 1 11 . 1 1 36 36 LYS CA C 36 55.626 55.626 57.072 -1.446 25454 4591 1 11 . 1 1 36 36 LYS CB C 36 32.790 32.790 29.595 3.195 25454 4592 1 11 . 1 1 36 36 LYS H H 36 8.509 8.509 8.345 0.164 25454 4593 1 11 . 1 1 37 37 GLY N N 37 109.150 109.150 104.379 4.771 25454 4594 1 11 . 1 1 37 37 GLY C C 37 174.428 174.428 175.201 -0.773 25454 4595 1 11 . 1 1 37 37 GLY CA C 37 46.427 46.427 45.018 1.409 25454 4596 1 11 . 1 1 37 37 GLY H H 37 6.819 6.819 8.287 -1.468 25454 4597 1 11 . 1 1 38 38 GLY N N 38 110.780 110.780 108.848 1.932 25454 4598 1 11 . 1 1 38 38 GLY C C 38 174.108 174.108 173.916 0.192 25454 4599 1 11 . 1 1 38 38 GLY CA C 38 44.972 44.972 43.748 1.224 25454 4600 1 11 . 1 1 38 38 GLY H H 38 8.365 8.365 7.872 0.493 25454 4601 1 11 . 1 1 39 39 ASP N N 39 120.800 120.800 120.811 -0.011 25454 4602 1 11 . 1 1 39 39 ASP HA H 39 4.789 4.789 4.611 0.178 25454 4603 1 11 . 1 1 39 39 ASP C C 39 177.820 177.820 175.964 1.856 25454 4604 1 11 . 1 1 39 39 ASP CA C 39 55.340 55.340 54.581 0.759 25454 4605 1 11 . 1 1 39 39 ASP CB C 39 41.150 41.150 41.162 -0.012 25454 4606 1 11 . 1 1 39 39 ASP H H 39 8.476 8.476 8.478 -0.002 25454 4607 1 11 . 1 1 40 40 THR N N 40 111.201 111.201 118.430 -7.229 25454 4608 1 11 . 1 1 40 40 THR HA H 40 3.753 3.753 3.433 0.320 25454 4609 1 11 . 1 1 40 40 THR C C 40 175.526 175.526 174.636 0.890 25454 4610 1 11 . 1 1 40 40 THR CA C 40 60.300 60.300 63.034 -2.734 25454 4611 1 11 . 1 1 40 40 THR CB C 40 71.278 71.278 68.822 2.456 25454 4612 1 11 . 1 1 40 40 THR H H 40 8.132 8.132 8.467 -0.335 25454 4613 1 11 . 1 1 41 41 VAL N N 41 125.014 125.014 116.063 8.951 25454 4614 1 11 . 1 1 41 41 VAL HA H 41 3.831 3.831 3.542 0.289 25454 4615 1 11 . 1 1 41 41 VAL C C 41 174.100 174.100 175.037 -0.937 25454 4616 1 11 . 1 1 41 41 VAL CA C 41 63.988 63.988 63.807 0.181 25454 4617 1 11 . 1 1 41 41 VAL CB C 41 30.465 30.465 29.618 0.847 25454 4618 1 11 . 1 1 41 41 VAL H H 41 8.278 8.278 7.070 1.208 25454 4619 1 11 . 1 1 42 42 THR N N 42 121.970 121.970 114.546 7.424 25454 4620 1 11 . 1 1 42 42 THR HA H 42 4.603 4.603 4.369 0.234 25454 4621 1 11 . 1 1 42 42 THR C C 42 172.978 172.978 173.827 -0.849 25454 4622 1 11 . 1 1 42 42 THR CA C 42 60.166 60.166 63.323 -3.157 25454 4623 1 11 . 1 1 42 42 THR CB C 42 70.588 70.588 69.610 0.978 25454 4624 1 11 . 1 1 42 42 THR H H 42 7.849 7.849 7.238 0.611 25454 4625 1 11 . 1 1 43 43 LEU N N 43 122.979 122.979 117.249 5.730 25454 4626 1 11 . 1 1 43 43 LEU HA H 43 5.041 5.041 4.906 0.135 25454 4627 1 11 . 1 1 43 43 LEU CA C 43 55.072 55.072 53.647 1.425 25454 4628 1 11 . 1 1 43 43 LEU CB C 43 42.661 42.661 45.858 -3.197 25454 4629 1 11 . 1 1 43 43 LEU H H 43 8.310 8.310 8.392 -0.082 25454 4630 1 11 . 1 1 44 44 ASN N N 44 124.579 124.579 117.559 7.020 25454 4631 1 11 . 1 1 44 44 ASN HA H 44 5.135 5.135 5.066 0.069 25454 4632 1 11 . 1 1 44 44 ASN C C 44 175.736 175.736 174.938 0.798 25454 4633 1 11 . 1 1 44 44 ASN CA C 44 50.814 50.814 51.931 -1.117 25454 4634 1 11 . 1 1 44 44 ASN CB C 44 40.280 40.280 41.817 -1.537 25454 4635 1 11 . 1 1 44 44 ASN H H 44 9.542 9.542 9.335 0.207 25454 4636 1 11 . 1 1 45 45 GLU N N 45 118.210 118.210 121.027 -2.817 25454 4637 1 11 . 1 1 45 45 GLU HA H 45 4.088 4.088 4.127 -0.039 25454 4638 1 11 . 1 1 45 45 GLU C C 45 179.010 179.010 178.457 0.553 25454 4639 1 11 . 1 1 45 45 GLU CA C 45 60.349 60.349 59.570 0.779 25454 4640 1 11 . 1 1 45 45 GLU CB C 45 28.908 28.908 29.586 -0.678 25454 4641 1 11 . 1 1 45 45 GLU H H 45 8.752 8.752 8.999 -0.247 25454 4642 1 11 . 1 1 46 46 THR N N 46 116.430 116.430 115.858 0.572 25454 4643 1 11 . 1 1 46 46 THR HA H 46 4.114 4.114 3.941 0.173 25454 4644 1 11 . 1 1 46 46 THR C C 46 176.994 176.994 176.093 0.901 25454 4645 1 11 . 1 1 46 46 THR CA C 46 66.260 66.260 66.944 -0.684 25454 4646 1 11 . 1 1 46 46 THR CB C 46 68.270 68.270 68.464 -0.194 25454 4647 1 11 . 1 1 46 46 THR H H 46 8.043 8.043 8.297 -0.254 25454 4648 1 11 . 1 1 47 47 ASP N N 47 124.380 124.380 122.413 1.967 25454 4649 1 11 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.394 -0.050 25454 4650 1 11 . 1 1 47 47 ASP C C 47 178.914 178.914 178.475 0.439 25454 4651 1 11 . 1 1 47 47 ASP CA C 47 58.630 58.630 57.618 1.012 25454 4652 1 11 . 1 1 47 47 ASP CB C 47 42.350 42.350 40.709 1.641 25454 4653 1 11 . 1 1 47 47 ASP H H 47 8.475 8.475 7.629 0.846 25454 4654 1 11 . 1 1 48 48 LEU N N 48 116.889 116.889 119.007 -2.118 25454 4655 1 11 . 1 1 48 48 LEU HA H 48 4.118 4.118 4.179 -0.061 25454 4656 1 11 . 1 1 48 48 LEU C C 48 175.839 175.839 179.073 -3.234 25454 4657 1 11 . 1 1 48 48 LEU CA C 48 57.432 57.432 57.779 -0.347 25454 4658 1 11 . 1 1 48 48 LEU CB C 48 41.430 41.430 41.698 -0.268 25454 4659 1 11 . 1 1 48 48 LEU H H 48 8.082 8.082 7.948 0.134 25454 4660 1 11 . 1 1 49 49 THR N N 49 112.550 112.550 114.888 -2.338 25454 4661 1 11 . 1 1 49 49 THR HA H 49 4.310 4.310 4.308 0.002 25454 4662 1 11 . 1 1 49 49 THR C C 49 177.306 177.306 176.404 0.902 25454 4663 1 11 . 1 1 49 49 THR CA C 49 64.520 64.520 65.358 -0.838 25454 4664 1 11 . 1 1 49 49 THR CB C 49 69.525 69.525 69.099 0.426 25454 4665 1 11 . 1 1 49 49 THR H H 49 7.743 7.743 7.809 -0.066 25454 4666 1 11 . 1 1 50 50 GLN N N 50 121.570 121.570 121.533 0.037 25454 4667 1 11 . 1 1 50 50 GLN HA H 50 4.344 4.344 4.261 0.083 25454 4668 1 11 . 1 1 50 50 GLN C C 50 178.308 178.308 178.279 0.029 25454 4669 1 11 . 1 1 50 50 GLN CA C 50 58.630 58.630 57.966 0.664 25454 4670 1 11 . 1 1 50 50 GLN CB C 50 30.850 30.850 28.414 2.436 25454 4671 1 11 . 1 1 50 50 GLN H H 50 8.519 8.519 8.057 0.462 25454 4672 1 11 . 1 1 51 51 ILE N N 51 120.320 120.320 120.944 -0.624 25454 4673 1 11 . 1 1 51 51 ILE HA H 51 3.573 3.573 3.868 -0.295 25454 4674 1 11 . 1 1 51 51 ILE CA C 51 69.155 69.155 66.382 2.773 25454 4675 1 11 . 1 1 51 51 ILE CB C 51 35.659 35.659 35.462 0.197 25454 4676 1 11 . 1 1 51 51 ILE H H 51 8.663 8.663 8.735 -0.072 25454 4677 1 11 . 1 1 52 52 PRO HA H 52 4.301 4.301 4.320 -0.019 25454 4678 1 11 . 1 1 52 52 PRO C C 52 179.686 179.686 178.843 0.843 25454 4679 1 11 . 1 1 52 52 PRO CA C 52 66.190 66.190 65.784 0.406 25454 4680 1 11 . 1 1 52 52 PRO CB C 52 31.270 31.270 31.176 0.094 25454 4681 1 11 . 1 1 53 53 LYS N N 53 116.520 116.520 118.573 -2.053 25454 4682 1 11 . 1 1 53 53 LYS HA H 53 4.231 4.231 4.099 0.132 25454 4683 1 11 . 1 1 53 53 LYS C C 53 179.475 179.475 179.055 0.420 25454 4684 1 11 . 1 1 53 53 LYS CA C 53 59.017 59.017 59.848 -0.831 25454 4685 1 11 . 1 1 53 53 LYS CB C 53 31.796 31.796 32.238 -0.442 25454 4686 1 11 . 1 1 53 53 LYS H H 53 7.016 7.016 7.422 -0.406 25454 4687 1 11 . 1 1 54 54 VAL N N 54 125.220 125.220 115.542 9.678 25454 4688 1 11 . 1 1 54 54 VAL HA H 54 3.022 3.022 3.974 -0.952 25454 4689 1 11 . 1 1 54 54 VAL C C 54 177.692 177.692 177.347 0.345 25454 4690 1 11 . 1 1 54 54 VAL CA C 54 65.860 65.860 65.169 0.691 25454 4691 1 11 . 1 1 54 54 VAL CB C 54 30.623 30.623 31.073 -0.450 25454 4692 1 11 . 1 1 54 54 VAL H H 54 8.068 8.068 8.229 -0.161 25454 4693 1 11 . 1 1 55 55 ILE N N 55 119.943 119.943 121.731 -1.788 25454 4694 1 11 . 1 1 55 55 ILE HA H 55 3.641 3.641 4.161 -0.520 25454 4695 1 11 . 1 1 55 55 ILE C C 55 177.515 177.515 177.883 -0.368 25454 4696 1 11 . 1 1 55 55 ILE CA C 55 66.896 66.896 65.137 1.759 25454 4697 1 11 . 1 1 55 55 ILE CB C 55 38.500 38.500 38.295 0.205 25454 4698 1 11 . 1 1 55 55 ILE H H 55 7.589 7.589 7.486 0.103 25454 4699 1 11 . 1 1 56 56 GLU N N 56 118.310 118.310 120.821 -2.511 25454 4700 1 11 . 1 1 56 56 GLU HA H 56 4.010 4.010 4.036 -0.026 25454 4701 1 11 . 1 1 56 56 GLU C C 56 178.518 178.518 179.229 -0.711 25454 4702 1 11 . 1 1 56 56 GLU CA C 56 59.603 59.603 59.758 -0.155 25454 4703 1 11 . 1 1 56 56 GLU CB C 56 29.776 29.776 29.647 0.129 25454 4704 1 11 . 1 1 56 56 GLU H H 56 7.794 7.794 8.442 -0.648 25454 4705 1 11 . 1 1 57 57 TYR N N 57 120.510 120.510 119.515 0.995 25454 4706 1 11 . 1 1 57 57 TYR HA H 57 4.239 4.239 4.296 -0.057 25454 4707 1 11 . 1 1 57 57 TYR C C 57 178.919 178.919 177.714 1.205 25454 4708 1 11 . 1 1 57 57 TYR CA C 57 61.600 61.600 60.005 1.595 25454 4709 1 11 . 1 1 57 57 TYR CB C 57 39.060 39.060 37.899 1.161 25454 4710 1 11 . 1 1 57 57 TYR H H 57 8.495 8.495 8.606 -0.111 25454 4711 1 11 . 1 1 58 58 CYS N N 58 117.760 117.760 117.886 -0.126 25454 4712 1 11 . 1 1 58 58 CYS HA H 58 4.685 4.685 4.327 0.358 25454 4713 1 11 . 1 1 58 58 CYS C C 58 177.217 177.217 176.404 0.813 25454 4714 1 11 . 1 1 58 58 CYS CA C 58 52.020 52.020 61.492 -9.472 25454 4715 1 11 . 1 1 58 58 CYS CB C 58 31.667 31.667 27.209 4.458 25454 4716 1 11 . 1 1 58 58 CYS H H 58 8.672 8.672 7.935 0.737 25454 4717 1 11 . 1 1 59 59 LYS N N 59 120.550 120.550 120.365 0.185 25454 4718 1 11 . 1 1 59 59 LYS HA H 59 4.008 4.008 4.130 -0.122 25454 4719 1 11 . 1 1 59 59 LYS C C 59 179.247 179.247 178.337 0.910 25454 4720 1 11 . 1 1 59 59 LYS CA C 59 59.790 59.790 58.728 1.062 25454 4721 1 11 . 1 1 59 59 LYS CB C 59 32.800 32.800 32.151 0.649 25454 4722 1 11 . 1 1 59 59 LYS H H 59 8.481 8.481 8.212 0.269 25454 4723 1 11 . 1 1 60 60 LYS N N 60 116.830 116.830 117.878 -1.048 25454 4724 1 11 . 1 1 60 60 LYS HA H 60 4.166 4.166 4.255 -0.089 25454 4725 1 11 . 1 1 60 60 LYS C C 60 176.432 176.432 177.360 -0.928 25454 4726 1 11 . 1 1 60 60 LYS CA C 60 57.260 57.260 57.985 -0.725 25454 4727 1 11 . 1 1 60 60 LYS CB C 60 33.760 33.760 33.165 0.595 25454 4728 1 11 . 1 1 60 60 LYS H H 60 7.455 7.455 8.065 -0.610 25454 4729 1 11 . 1 1 61 61 ASN N N 61 117.140 117.140 118.569 -1.429 25454 4730 1 11 . 1 1 61 61 ASN HA H 61 4.686 4.686 5.203 -0.517 25454 4731 1 11 . 1 1 61 61 ASN CA C 61 51.300 51.300 51.009 0.291 25454 4732 1 11 . 1 1 61 61 ASN CB C 61 40.208 40.208 39.227 0.981 25454 4733 1 11 . 1 1 61 61 ASN H H 61 7.368 7.368 7.686 -0.318 25454 4734 1 11 . 1 1 62 62 PRO HA H 62 4.227 4.227 4.453 -0.226 25454 4735 1 11 . 1 1 62 62 PRO C C 62 177.511 177.511 177.553 -0.042 25454 4736 1 11 . 1 1 62 62 PRO CA C 62 65.430 65.430 64.751 0.678 25454 4737 1 11 . 1 1 62 62 PRO CB C 62 31.800 31.800 32.114 -0.314 25454 4738 1 11 . 1 1 63 63 GLN N N 63 114.045 114.045 113.900 0.145 25454 4739 1 11 . 1 1 63 63 GLN HA H 63 4.450 4.450 4.198 0.252 25454 4740 1 11 . 1 1 63 63 GLN C C 63 177.766 177.766 176.051 1.715 25454 4741 1 11 . 1 1 63 63 GLN CA C 63 56.200 56.200 56.964 -0.764 25454 4742 1 11 . 1 1 63 63 GLN CB C 63 28.200 28.200 28.754 -0.554 25454 4743 1 11 . 1 1 63 63 GLN H H 63 8.578 8.578 8.319 0.259 25454 4744 1 11 . 1 1 64 64 LYS N N 64 119.960 119.960 120.632 -0.672 25454 4745 1 11 . 1 1 64 64 LYS HA H 64 4.452 4.452 4.216 0.236 25454 4746 1 11 . 1 1 64 64 LYS C C 64 176.151 176.151 175.708 0.443 25454 4747 1 11 . 1 1 64 64 LYS CA C 64 55.660 55.660 55.606 0.054 25454 4748 1 11 . 1 1 64 64 LYS CB C 64 33.500 33.500 32.931 0.569 25454 4749 1 11 . 1 1 64 64 LYS H H 64 7.628 7.628 7.552 0.076 25454 4750 1 11 . 1 1 65 65 ASN N N 65 120.139 120.139 117.871 2.268 25454 4751 1 11 . 1 1 65 65 ASN HA H 65 4.807 4.807 4.465 0.342 25454 4752 1 11 . 1 1 65 65 ASN CA C 65 54.070 54.070 53.675 0.395 25454 4753 1 11 . 1 1 65 65 ASN CB C 65 38.070 38.070 39.251 -1.181 25454 4754 1 11 . 1 1 65 65 ASN H H 65 8.936 8.936 8.308 0.628 25454 4755 1 11 . 1 1 66 66 LEU N N 66 129.960 129.960 123.056 6.904 25454 4756 1 11 . 1 1 66 66 LEU HA H 66 4.165 4.165 3.655 0.510 25454 4757 1 11 . 1 1 66 66 LEU C C 66 176.948 176.948 177.919 -0.971 25454 4758 1 11 . 1 1 66 66 LEU CA C 66 59.220 59.220 56.678 2.542 25454 4759 1 11 . 1 1 66 66 LEU CB C 66 42.830 42.830 42.342 0.488 25454 4760 1 11 . 1 1 66 66 LEU H H 66 8.939 8.939 8.231 0.708 25454 4761 1 11 . 1 1 67 67 TYR N N 67 115.770 115.770 117.082 -1.312 25454 4762 1 11 . 1 1 67 67 TYR HA H 67 4.077 4.077 4.263 -0.186 25454 4763 1 11 . 1 1 67 67 TYR C C 67 178.731 178.731 177.847 0.884 25454 4764 1 11 . 1 1 67 67 TYR CA C 67 61.277 61.277 61.080 0.197 25454 4765 1 11 . 1 1 67 67 TYR CB C 67 36.768 36.768 37.956 -1.188 25454 4766 1 11 . 1 1 67 67 TYR H H 67 9.409 9.409 8.114 1.295 25454 4767 1 11 . 1 1 68 68 THR N N 68 112.470 112.470 117.043 -4.573 25454 4768 1 11 . 1 1 68 68 THR HA H 68 4.268 4.268 4.072 0.196 25454 4769 1 11 . 1 1 68 68 THR C C 68 176.104 176.104 176.537 -0.433 25454 4770 1 11 . 1 1 68 68 THR CA C 68 64.650 64.650 65.340 -0.690 25454 4771 1 11 . 1 1 68 68 THR CB C 68 70.268 70.268 68.493 1.776 25454 4772 1 11 . 1 1 68 68 THR H H 68 8.076 8.076 8.235 -0.159 25454 4773 1 11 . 1 1 69 69 PHE N N 69 123.660 123.660 119.828 3.832 25454 4774 1 11 . 1 1 69 69 PHE HA H 69 2.811 2.811 4.369 -1.558 25454 4775 1 11 . 1 1 69 69 PHE C C 69 176.290 176.290 177.493 -1.203 25454 4776 1 11 . 1 1 69 69 PHE CA C 69 61.510 61.510 57.752 3.758 25454 4777 1 11 . 1 1 69 69 PHE CB C 69 39.610 39.610 37.783 1.827 25454 4778 1 11 . 1 1 69 69 PHE H H 69 7.969 7.969 7.721 0.248 25454 4779 1 11 . 1 1 70 70 LYS N N 70 113.530 113.530 121.221 -7.691 25454 4780 1 11 . 1 1 70 70 LYS HA H 70 3.757 3.757 3.946 -0.189 25454 4781 1 11 . 1 1 70 70 LYS C C 70 176.269 176.269 178.486 -2.217 25454 4782 1 11 . 1 1 70 70 LYS CA C 70 57.840 57.840 58.563 -0.723 25454 4783 1 11 . 1 1 70 70 LYS CB C 70 32.520 32.520 32.207 0.313 25454 4784 1 11 . 1 1 70 70 LYS H H 70 6.957 6.957 8.142 -1.185 25454 4785 1 11 . 1 1 71 71 ASN N N 71 117.360 117.360 118.152 -0.792 25454 4786 1 11 . 1 1 71 71 ASN HA H 71 4.652 4.652 4.562 0.090 25454 4787 1 11 . 1 1 71 71 ASN C C 71 175.155 175.155 177.044 -1.889 25454 4788 1 11 . 1 1 71 71 ASN CA C 71 53.273 53.273 55.290 -2.017 25454 4789 1 11 . 1 1 71 71 ASN CB C 71 38.870 38.870 38.160 0.710 25454 4790 1 11 . 1 1 71 71 ASN H H 71 7.488 7.488 8.439 -0.951 25454 4791 1 11 . 1 1 72 72 GLN N N 72 119.610 119.610 117.817 1.793 25454 4792 1 11 . 1 1 72 72 GLN HA H 72 4.202 4.202 4.142 0.060 25454 4793 1 11 . 1 1 72 72 GLN C C 72 179.467 179.467 175.842 3.625 25454 4794 1 11 . 1 1 72 72 GLN CA C 72 56.160 56.160 57.022 -0.862 25454 4795 1 11 . 1 1 72 72 GLN CB C 72 29.460 29.460 29.047 0.413 25454 4796 1 11 . 1 1 72 72 GLN H H 72 7.611 7.611 7.971 -0.360 25454 4797 1 11 . 1 1 73 73 ALA N N 73 125.130 125.130 122.752 2.378 25454 4798 1 11 . 1 1 73 73 ALA HA H 73 4.198 4.198 4.725 -0.527 25454 4799 1 11 . 1 1 73 73 ALA C C 73 177.907 177.907 176.218 1.689 25454 4800 1 11 . 1 1 73 73 ALA CA C 73 52.761 52.761 50.962 1.799 25454 4801 1 11 . 1 1 73 73 ALA CB C 73 19.028 19.028 19.435 -0.407 25454 4802 1 11 . 1 1 73 73 ALA H H 73 8.072 8.072 7.672 0.400 25454 4803 1 11 . 1 1 74 74 SER N N 74 115.100 115.100 120.257 -5.157 25454 4804 1 11 . 1 1 74 74 SER HA H 74 4.344 4.344 4.461 -0.117 25454 4805 1 11 . 1 1 74 74 SER C C 74 174.562 174.562 174.153 0.409 25454 4806 1 11 . 1 1 74 74 SER CA C 74 58.640 58.640 57.054 1.586 25454 4807 1 11 . 1 1 74 74 SER CB C 74 63.660 63.660 63.677 -0.017 25454 4808 1 11 . 1 1 74 74 SER H H 74 8.114 8.114 8.804 -0.690 25454 4809 1 11 . 1 1 75 75 ASN N N 75 120.950 120.950 120.505 0.445 25454 4810 1 11 . 1 1 75 75 ASN HA H 75 4.698 4.698 4.585 0.113 25454 4811 1 11 . 1 1 75 75 ASN C C 75 174.790 174.790 176.161 -1.371 25454 4812 1 11 . 1 1 75 75 ASN CA C 75 53.340 53.340 54.285 -0.945 25454 4813 1 11 . 1 1 75 75 ASN CB C 75 38.980 38.980 39.130 -0.150 25454 4814 1 11 . 1 1 75 75 ASN H H 75 8.283 8.283 7.839 0.444 25454 4815 1 11 . 1 1 76 76 ASP N N 76 120.550 120.550 117.640 2.910 25454 4816 1 11 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.252 0.351 25454 4817 1 11 . 1 1 76 76 ASP C C 76 175.588 175.588 175.372 0.216 25454 4818 1 11 . 1 1 76 76 ASP CA C 76 53.940 53.940 56.287 -2.347 25454 4819 1 11 . 1 1 76 76 ASP CB C 76 40.510 40.510 40.437 0.073 25454 4820 1 11 . 1 1 76 76 ASP H H 76 8.201 8.201 8.686 -0.485 25454 4821 1 11 . 1 1 77 77 LEU N N 77 123.780 123.780 121.003 2.777 25454 4822 1 11 . 1 1 77 77 LEU HA H 77 4.600 4.600 4.195 0.405 25454 4823 1 11 . 1 1 77 77 LEU CA C 77 52.980 52.980 53.888 -0.908 25454 4824 1 11 . 1 1 77 77 LEU CB C 77 41.850 41.850 41.373 0.477 25454 4825 1 11 . 1 1 77 77 LEU H H 77 8.021 8.021 7.623 0.398 25454 4826 1 11 . 1 1 78 78 PRO HA H 78 4.417 4.417 4.507 -0.090 25454 4827 1 11 . 1 1 78 78 PRO C C 78 176.058 176.058 175.563 0.495 25454 4828 1 11 . 1 1 78 78 PRO CA C 78 63.260 63.260 62.492 0.768 25454 4829 1 11 . 1 1 78 78 PRO CB C 78 31.956 31.956 32.203 -0.246 25454 4830 1 12 . 1 1 2 2 ASN N N 2 118.440 118.440 118.154 0.286 25454 4831 1 12 . 1 1 2 2 ASN HA H 2 4.660 4.660 4.591 0.069 25454 4832 1 12 . 1 1 2 2 ASN C C 2 174.884 174.884 174.272 0.612 25454 4833 1 12 . 1 1 2 2 ASN CA C 2 53.730 53.730 54.184 -0.454 25454 4834 1 12 . 1 1 2 2 ASN CB C 2 38.500 38.500 38.190 0.310 25454 4835 1 12 . 1 1 2 2 ASN H H 2 8.869 8.869 8.873 -0.004 25454 4836 1 12 . 1 1 3 3 GLU N N 3 121.390 121.390 120.969 0.421 25454 4837 1 12 . 1 1 3 3 GLU HA H 3 4.416 4.416 4.575 -0.159 25454 4838 1 12 . 1 1 3 3 GLU C C 3 175.916 175.916 175.868 0.048 25454 4839 1 12 . 1 1 3 3 GLU CA C 3 56.300 56.300 55.475 0.825 25454 4840 1 12 . 1 1 3 3 GLU CB C 3 29.810 29.810 31.244 -1.434 25454 4841 1 12 . 1 1 3 3 GLU H H 3 8.560 8.560 8.297 0.263 25454 4842 1 12 . 1 1 4 4 SER N N 4 118.190 118.190 118.977 -0.787 25454 4843 1 12 . 1 1 4 4 SER HA H 4 4.716 4.716 4.616 0.100 25454 4844 1 12 . 1 1 4 4 SER C C 4 175.686 175.686 174.655 1.031 25454 4845 1 12 . 1 1 4 4 SER CA C 4 57.890 57.890 57.165 0.725 25454 4846 1 12 . 1 1 4 4 SER CB C 4 65.080 65.080 63.030 2.050 25454 4847 1 12 . 1 1 4 4 SER H H 4 8.802 8.802 8.701 0.101 25454 4848 1 12 . 1 1 5 5 ALA N N 5 128.990 128.990 128.233 0.757 25454 4849 1 12 . 1 1 5 5 ALA HA H 5 4.142 4.142 4.029 0.113 25454 4850 1 12 . 1 1 5 5 ALA C C 5 179.112 179.112 178.711 0.401 25454 4851 1 12 . 1 1 5 5 ALA CA C 5 55.880 55.880 55.022 0.858 25454 4852 1 12 . 1 1 5 5 ALA CB C 5 18.110 18.110 18.905 -0.795 25454 4853 1 12 . 1 1 5 5 ALA H H 5 8.992 8.992 8.385 0.607 25454 4854 1 12 . 1 1 6 6 LYS N N 6 114.810 114.810 114.705 0.105 25454 4855 1 12 . 1 1 6 6 LYS HA H 6 3.221 3.221 2.460 0.761 25454 4856 1 12 . 1 1 6 6 LYS C C 6 177.448 177.448 176.198 1.250 25454 4857 1 12 . 1 1 6 6 LYS CA C 6 57.740 57.740 57.470 0.270 25454 4858 1 12 . 1 1 6 6 LYS CB C 6 31.830 31.830 31.619 0.211 25454 4859 1 12 . 1 1 6 6 LYS H H 6 7.776 7.776 8.085 -0.309 25454 4860 1 12 . 1 1 7 7 ASP N N 7 119.190 119.190 116.341 2.849 25454 4861 1 12 . 1 1 7 7 ASP HA H 7 4.748 4.748 4.913 -0.165 25454 4862 1 12 . 1 1 7 7 ASP C C 7 176.254 176.254 175.019 1.235 25454 4863 1 12 . 1 1 7 7 ASP CA C 7 53.800 53.800 52.412 1.388 25454 4864 1 12 . 1 1 7 7 ASP CB C 7 41.560 41.560 41.607 -0.047 25454 4865 1 12 . 1 1 7 7 ASP H H 7 7.744 7.744 7.526 0.218 25454 4866 1 12 . 1 1 8 8 MET N N 8 122.540 122.540 121.790 0.750 25454 4867 1 12 . 1 1 8 8 MET HA H 8 4.502 4.502 4.428 0.074 25454 4868 1 12 . 1 1 8 8 MET C C 8 176.932 176.932 175.679 1.253 25454 4869 1 12 . 1 1 8 8 MET CA C 8 56.390 56.390 56.534 -0.144 25454 4870 1 12 . 1 1 8 8 MET CB C 8 35.300 35.300 33.204 2.096 25454 4871 1 12 . 1 1 8 8 MET H H 8 7.925 7.925 7.574 0.351 25454 4872 1 12 . 1 1 9 9 THR N N 9 121.410 121.410 122.365 -0.955 25454 4873 1 12 . 1 1 9 9 THR HA H 9 4.794 4.794 4.403 0.391 25454 4874 1 12 . 1 1 9 9 THR C C 9 176.198 176.198 175.264 0.934 25454 4875 1 12 . 1 1 9 9 THR CA C 9 61.960 61.960 62.727 -0.767 25454 4876 1 12 . 1 1 9 9 THR CB C 9 72.200 72.200 70.232 1.968 25454 4877 1 12 . 1 1 9 9 THR H H 9 9.927 9.927 8.222 1.705 25454 4878 1 12 . 1 1 10 10 CYS N N 10 121.150 121.150 125.991 -4.841 25454 4879 1 12 . 1 1 10 10 CYS HA H 10 4.685 4.685 4.266 0.419 25454 4880 1 12 . 1 1 10 10 CYS C C 10 177.324 177.324 177.115 0.209 25454 4881 1 12 . 1 1 10 10 CYS CA C 10 56.970 56.970 62.530 -5.560 25454 4882 1 12 . 1 1 10 10 CYS CB C 10 32.440 32.440 25.913 6.527 25454 4883 1 12 . 1 1 10 10 CYS H H 10 9.765 9.765 8.890 0.875 25454 4884 1 12 . 1 1 11 11 GLN N N 11 121.360 121.360 119.741 1.619 25454 4885 1 12 . 1 1 11 11 GLN HA H 11 3.894 3.894 4.109 -0.215 25454 4886 1 12 . 1 1 11 11 GLN C C 11 176.902 176.902 177.659 -0.757 25454 4887 1 12 . 1 1 11 11 GLN CA C 11 58.680 58.680 58.508 0.173 25454 4888 1 12 . 1 1 11 11 GLN CB C 11 28.900 28.900 28.153 0.747 25454 4889 1 12 . 1 1 11 11 GLN H H 11 8.583 8.583 8.396 0.187 25454 4890 1 12 . 1 1 12 12 GLU N N 12 117.090 117.090 119.434 -2.344 25454 4891 1 12 . 1 1 12 12 GLU HA H 12 3.983 3.983 4.125 -0.142 25454 4892 1 12 . 1 1 12 12 GLU C C 12 179.763 179.763 178.203 1.560 25454 4893 1 12 . 1 1 12 12 GLU CA C 12 59.528 59.528 58.050 1.478 25454 4894 1 12 . 1 1 12 12 GLU CB C 12 31.830 31.830 29.966 1.864 25454 4895 1 12 . 1 1 12 12 GLU H H 12 7.867 7.867 7.730 0.137 25454 4896 1 12 . 1 1 13 13 PHE N N 13 119.630 119.630 120.747 -1.117 25454 4897 1 12 . 1 1 13 13 PHE HA H 13 4.269 4.269 4.250 0.019 25454 4898 1 12 . 1 1 13 13 PHE C C 13 176.432 176.432 178.276 -1.844 25454 4899 1 12 . 1 1 13 13 PHE CA C 13 61.150 61.150 61.289 -0.139 25454 4900 1 12 . 1 1 13 13 PHE CB C 13 39.520 39.520 39.623 -0.103 25454 4901 1 12 . 1 1 13 13 PHE H H 13 8.182 8.182 8.534 -0.352 25454 4902 1 12 . 1 1 14 14 ILE N N 14 114.180 114.180 112.861 1.319 25454 4903 1 12 . 1 1 14 14 ILE HA H 14 3.761 3.761 3.857 -0.096 25454 4904 1 12 . 1 1 14 14 ILE C C 14 177.089 177.089 175.711 1.378 25454 4905 1 12 . 1 1 14 14 ILE CA C 14 63.030 63.030 62.750 0.280 25454 4906 1 12 . 1 1 14 14 ILE CB C 14 36.740 36.740 37.422 -0.681 25454 4907 1 12 . 1 1 14 14 ILE H H 14 8.191 8.191 7.953 0.238 25454 4908 1 12 . 1 1 15 15 ASP N N 15 120.260 120.260 119.840 0.420 25454 4909 1 12 . 1 1 15 15 ASP HA H 15 4.716 4.716 4.678 0.038 25454 4910 1 12 . 1 1 15 15 ASP C C 15 174.697 174.697 176.888 -2.191 25454 4911 1 12 . 1 1 15 15 ASP CA C 15 54.080 54.080 54.246 -0.166 25454 4912 1 12 . 1 1 15 15 ASP CB C 15 40.810 40.810 42.645 -1.835 25454 4913 1 12 . 1 1 15 15 ASP H H 15 7.478 7.478 7.648 -0.170 25454 4914 1 12 . 1 1 16 16 LEU N N 16 122.985 122.985 119.909 3.076 25454 4915 1 12 . 1 1 16 16 LEU HA H 16 4.067 4.067 4.212 -0.145 25454 4916 1 12 . 1 1 16 16 LEU C C 16 176.710 176.710 175.763 0.947 25454 4917 1 12 . 1 1 16 16 LEU CA C 16 55.028 55.028 55.269 -0.241 25454 4918 1 12 . 1 1 16 16 LEU CB C 16 43.370 43.370 42.607 0.763 25454 4919 1 12 . 1 1 16 16 LEU H H 16 7.226 7.226 7.388 -0.162 25454 4920 1 12 . 1 1 17 17 ASN N N 17 119.620 119.620 119.623 -0.003 25454 4921 1 12 . 1 1 17 17 ASN HA H 17 4.634 4.634 4.775 -0.141 25454 4922 1 12 . 1 1 17 17 ASN CA C 17 52.048 52.048 51.154 0.894 25454 4923 1 12 . 1 1 17 17 ASN CB C 17 39.480 39.480 38.493 0.987 25454 4924 1 12 . 1 1 17 17 ASN H H 17 7.265 7.265 8.417 -1.152 25454 4925 1 12 . 1 1 18 18 PRO HA H 18 4.137 4.137 4.238 -0.101 25454 4926 1 12 . 1 1 18 18 PRO C C 18 179.247 179.247 178.648 0.599 25454 4927 1 12 . 1 1 18 18 PRO CA C 18 65.370 65.370 64.453 0.917 25454 4928 1 12 . 1 1 18 18 PRO CB C 18 32.610 32.610 32.003 0.607 25454 4929 1 12 . 1 1 19 19 LYS N N 19 116.450 116.450 120.125 -3.675 25454 4930 1 12 . 1 1 19 19 LYS HA H 19 3.856 3.856 3.958 -0.102 25454 4931 1 12 . 1 1 19 19 LYS C C 19 176.995 176.995 178.255 -1.260 25454 4932 1 12 . 1 1 19 19 LYS CA C 19 59.080 59.080 59.663 -0.583 25454 4933 1 12 . 1 1 19 19 LYS CB C 19 34.940 34.940 31.927 3.013 25454 4934 1 12 . 1 1 19 19 LYS H H 19 8.445 8.445 8.750 -0.305 25454 4935 1 12 . 1 1 20 20 ALA N N 20 116.170 116.170 118.992 -2.822 25454 4936 1 12 . 1 1 20 20 ALA HA H 20 4.255 4.255 4.401 -0.146 25454 4937 1 12 . 1 1 20 20 ALA C C 20 177.511 177.511 178.839 -1.328 25454 4938 1 12 . 1 1 20 20 ALA CA C 20 51.640 51.640 53.326 -1.686 25454 4939 1 12 . 1 1 20 20 ALA CB C 20 21.660 21.660 18.435 3.225 25454 4940 1 12 . 1 1 20 20 ALA H H 20 8.400 8.400 7.723 0.677 25454 4941 1 12 . 1 1 21 21 MET N N 21 117.850 117.850 119.831 -1.981 25454 4942 1 12 . 1 1 21 21 MET HA H 21 3.645 3.645 4.040 -0.395 25454 4943 1 12 . 1 1 21 21 MET C C 21 177.511 177.511 178.167 -0.656 25454 4944 1 12 . 1 1 21 21 MET CA C 21 61.418 61.418 59.896 1.522 25454 4945 1 12 . 1 1 21 21 MET CB C 21 33.220 33.220 32.609 0.611 25454 4946 1 12 . 1 1 21 21 MET H H 21 7.206 7.206 7.933 -0.727 25454 4947 1 12 . 1 1 22 22 THR N N 22 114.690 114.690 114.810 -0.120 25454 4948 1 12 . 1 1 22 22 THR HA H 22 4.115 4.115 4.183 -0.068 25454 4949 1 12 . 1 1 22 22 THR CA C 22 69.550 69.550 68.162 1.387 25454 4950 1 12 . 1 1 22 22 THR CB C 22 65.700 65.700 66.106 -0.406 25454 4951 1 12 . 1 1 22 22 THR H H 22 8.695 8.695 7.997 0.698 25454 4952 1 12 . 1 1 23 23 PRO HA H 23 3.550 3.550 4.636 -1.086 25454 4953 1 12 . 1 1 23 23 PRO C C 23 178.637 178.637 179.203 -0.566 25454 4954 1 12 . 1 1 23 23 PRO CA C 23 65.770 65.770 66.235 -0.465 25454 4955 1 12 . 1 1 23 23 PRO CB C 23 31.182 31.182 31.282 -0.100 25454 4956 1 12 . 1 1 24 24 VAL N N 24 115.820 115.820 119.810 -3.990 25454 4957 1 12 . 1 1 24 24 VAL HA H 24 3.675 3.675 4.028 -0.353 25454 4958 1 12 . 1 1 24 24 VAL C C 24 177.464 177.464 178.834 -1.370 25454 4959 1 12 . 1 1 24 24 VAL CA C 24 67.490 67.490 65.981 1.509 25454 4960 1 12 . 1 1 24 24 VAL CB C 24 31.970 31.970 30.987 0.983 25454 4961 1 12 . 1 1 24 24 VAL H H 24 7.441 7.441 7.588 -0.147 25454 4962 1 12 . 1 1 25 25 ALA N N 25 122.670 122.670 122.959 -0.289 25454 4963 1 12 . 1 1 25 25 ALA HA H 25 3.783 3.783 4.088 -0.305 25454 4964 1 12 . 1 1 25 25 ALA C C 25 178.497 178.497 179.315 -0.818 25454 4965 1 12 . 1 1 25 25 ALA CA C 25 55.620 55.620 55.331 0.289 25454 4966 1 12 . 1 1 25 25 ALA CB C 25 18.852 18.852 18.574 0.278 25454 4967 1 12 . 1 1 25 25 ALA H H 25 8.805 8.805 8.803 0.002 25454 4968 1 12 . 1 1 26 26 TRP N N 26 118.270 118.270 121.222 -2.952 25454 4969 1 12 . 1 1 26 26 TRP HA H 26 3.709 3.709 4.432 -0.723 25454 4970 1 12 . 1 1 26 26 TRP C C 26 178.309 178.309 177.767 0.542 25454 4971 1 12 . 1 1 26 26 TRP CA C 26 63.940 63.940 61.527 2.413 25454 4972 1 12 . 1 1 26 26 TRP CB C 26 29.740 29.740 29.679 0.061 25454 4973 1 12 . 1 1 26 26 TRP H H 26 9.181 9.181 8.248 0.933 25454 4974 1 12 . 1 1 27 27 TRP N N 27 119.740 119.740 120.255 -0.515 25454 4975 1 12 . 1 1 27 27 TRP HA H 27 4.118 4.118 3.684 0.434 25454 4976 1 12 . 1 1 27 27 TRP C C 27 177.511 177.511 178.432 -0.921 25454 4977 1 12 . 1 1 27 27 TRP CA C 27 60.588 60.588 60.806 -0.218 25454 4978 1 12 . 1 1 27 27 TRP CB C 27 30.021 30.021 29.646 0.375 25454 4979 1 12 . 1 1 27 27 TRP H H 27 8.527 8.527 9.132 -0.605 25454 4980 1 12 . 1 1 28 28 MET N N 28 119.130 119.130 117.855 1.275 25454 4981 1 12 . 1 1 28 28 MET HA H 28 3.618 3.618 3.707 -0.089 25454 4982 1 12 . 1 1 28 28 MET C C 28 177.587 177.587 177.661 -0.074 25454 4983 1 12 . 1 1 28 28 MET CA C 28 58.540 58.540 57.912 0.628 25454 4984 1 12 . 1 1 28 28 MET CB C 28 29.392 29.392 31.542 -2.150 25454 4985 1 12 . 1 1 28 28 MET H H 28 7.756 7.756 7.944 -0.188 25454 4986 1 12 . 1 1 29 29 LEU N N 29 117.820 117.820 116.772 1.048 25454 4987 1 12 . 1 1 29 29 LEU HA H 29 3.559 3.559 3.905 -0.346 25454 4988 1 12 . 1 1 29 29 LEU C C 29 179.417 179.417 177.870 1.547 25454 4989 1 12 . 1 1 29 29 LEU CA C 29 57.043 57.043 56.773 0.270 25454 4990 1 12 . 1 1 29 29 LEU CB C 29 42.676 42.676 41.616 1.060 25454 4991 1 12 . 1 1 29 29 LEU H H 29 7.838 7.838 7.506 0.332 25454 4992 1 12 . 1 1 30 30 HIS N N 30 113.790 113.790 112.518 1.272 25454 4993 1 12 . 1 1 30 30 HIS HA H 30 4.059 4.059 4.568 -0.509 25454 4994 1 12 . 1 1 30 30 HIS C C 30 176.289 176.289 175.302 0.987 25454 4995 1 12 . 1 1 30 30 HIS CA C 30 56.030 56.030 56.345 -0.315 25454 4996 1 12 . 1 1 30 30 HIS CB C 30 29.216 29.216 32.084 -2.868 25454 4997 1 12 . 1 1 30 30 HIS H H 30 7.757 7.757 7.385 0.372 25454 4998 1 12 . 1 1 31 31 GLU N N 31 125.870 125.870 118.207 7.663 25454 4999 1 12 . 1 1 31 31 GLU HA H 31 4.450 4.450 4.125 0.325 25454 5000 1 12 . 1 1 31 31 GLU C C 31 176.775 176.775 175.743 1.032 25454 5001 1 12 . 1 1 31 31 GLU CA C 31 56.160 56.160 57.076 -0.916 25454 5002 1 12 . 1 1 31 31 GLU CB C 31 28.386 28.386 30.269 -1.883 25454 5003 1 12 . 1 1 31 31 GLU H H 31 8.916 8.916 7.655 1.261 25454 5004 1 12 . 1 1 32 32 GLU N N 32 116.185 116.185 120.556 -4.371 25454 5005 1 12 . 1 1 32 32 GLU HA H 32 3.563 3.563 4.369 -0.806 25454 5006 1 12 . 1 1 32 32 GLU C C 32 174.994 174.994 176.556 -1.562 25454 5007 1 12 . 1 1 32 32 GLU CA C 32 58.090 58.090 57.254 0.836 25454 5008 1 12 . 1 1 32 32 GLU CB C 32 26.783 26.783 29.500 -2.717 25454 5009 1 12 . 1 1 32 32 GLU H H 32 9.330 9.330 8.732 0.598 25454 5010 1 12 . 1 1 33 33 THR N N 33 110.202 110.202 115.102 -4.900 25454 5011 1 12 . 1 1 33 33 THR HA H 33 4.696 4.696 4.292 0.404 25454 5012 1 12 . 1 1 33 33 THR C C 33 173.529 173.529 175.026 -1.497 25454 5013 1 12 . 1 1 33 33 THR CA C 33 60.129 60.129 62.758 -2.630 25454 5014 1 12 . 1 1 33 33 THR CB C 33 71.864 71.864 70.154 1.710 25454 5015 1 12 . 1 1 33 33 THR H H 33 7.620 7.620 7.762 -0.142 25454 5016 1 12 . 1 1 34 34 VAL N N 34 121.967 121.967 125.248 -3.281 25454 5017 1 12 . 1 1 34 34 VAL HA H 34 4.139 4.139 4.143 -0.004 25454 5018 1 12 . 1 1 34 34 VAL C C 34 172.579 172.579 175.321 -2.742 25454 5019 1 12 . 1 1 34 34 VAL CA C 34 63.032 63.032 62.480 0.552 25454 5020 1 12 . 1 1 34 34 VAL CB C 34 32.594 32.594 32.350 0.244 25454 5021 1 12 . 1 1 34 34 VAL H H 34 8.308 8.308 8.197 0.111 25454 5022 1 12 . 1 1 35 35 TYR N N 35 129.550 129.550 125.644 3.906 25454 5023 1 12 . 1 1 35 35 TYR HA H 35 4.562 4.562 4.472 0.090 25454 5024 1 12 . 1 1 35 35 TYR CA C 35 58.660 58.660 58.857 -0.197 25454 5025 1 12 . 1 1 35 35 TYR CB C 35 39.520 39.520 39.524 -0.004 25454 5026 1 12 . 1 1 35 35 TYR H H 35 8.610 8.610 8.554 0.056 25454 5027 1 12 . 1 1 36 36 LYS N N 36 129.360 129.360 121.660 7.700 25454 5028 1 12 . 1 1 36 36 LYS HA H 36 4.411 4.411 4.556 -0.145 25454 5029 1 12 . 1 1 36 36 LYS CA C 36 55.626 55.626 55.589 0.037 25454 5030 1 12 . 1 1 36 36 LYS CB C 36 32.790 32.790 32.925 -0.135 25454 5031 1 12 . 1 1 36 36 LYS H H 36 8.509 8.509 8.295 0.214 25454 5032 1 12 . 1 1 37 37 GLY N N 37 109.150 109.150 107.293 1.857 25454 5033 1 12 . 1 1 37 37 GLY C C 37 174.428 174.428 174.723 -0.295 25454 5034 1 12 . 1 1 37 37 GLY CA C 37 46.427 46.427 45.566 0.861 25454 5035 1 12 . 1 1 37 37 GLY H H 37 6.819 6.819 8.354 -1.535 25454 5036 1 12 . 1 1 38 38 GLY N N 38 110.780 110.780 108.163 2.617 25454 5037 1 12 . 1 1 38 38 GLY C C 38 174.108 174.108 173.511 0.597 25454 5038 1 12 . 1 1 38 38 GLY CA C 38 44.972 44.972 44.166 0.805 25454 5039 1 12 . 1 1 38 38 GLY H H 38 8.365 8.365 7.875 0.490 25454 5040 1 12 . 1 1 39 39 ASP N N 39 120.800 120.800 118.628 2.172 25454 5041 1 12 . 1 1 39 39 ASP HA H 39 4.789 4.789 4.737 0.052 25454 5042 1 12 . 1 1 39 39 ASP C C 39 177.820 177.820 177.250 0.570 25454 5043 1 12 . 1 1 39 39 ASP CA C 39 55.340 55.340 54.687 0.653 25454 5044 1 12 . 1 1 39 39 ASP CB C 39 41.150 41.150 41.470 -0.320 25454 5045 1 12 . 1 1 39 39 ASP H H 39 8.476 8.476 8.641 -0.165 25454 5046 1 12 . 1 1 40 40 THR N N 40 111.201 111.201 112.175 -0.974 25454 5047 1 12 . 1 1 40 40 THR HA H 40 3.753 3.753 4.211 -0.458 25454 5048 1 12 . 1 1 40 40 THR C C 40 175.526 175.526 175.903 -0.377 25454 5049 1 12 . 1 1 40 40 THR CA C 40 60.300 60.300 61.688 -1.388 25454 5050 1 12 . 1 1 40 40 THR CB C 40 71.278 71.278 67.636 3.642 25454 5051 1 12 . 1 1 40 40 THR H H 40 8.132 8.132 8.296 -0.164 25454 5052 1 12 . 1 1 41 41 VAL N N 41 125.014 125.014 114.811 10.203 25454 5053 1 12 . 1 1 41 41 VAL HA H 41 3.831 3.831 3.323 0.508 25454 5054 1 12 . 1 1 41 41 VAL C C 41 174.100 174.100 176.559 -2.459 25454 5055 1 12 . 1 1 41 41 VAL CA C 41 63.988 63.988 62.960 1.028 25454 5056 1 12 . 1 1 41 41 VAL CB C 41 30.465 30.465 30.052 0.413 25454 5057 1 12 . 1 1 41 41 VAL H H 41 8.278 8.278 7.270 1.008 25454 5058 1 12 . 1 1 42 42 THR N N 42 121.970 121.970 115.806 6.164 25454 5059 1 12 . 1 1 42 42 THR HA H 42 4.603 4.603 3.892 0.711 25454 5060 1 12 . 1 1 42 42 THR C C 42 172.978 172.978 174.694 -1.716 25454 5061 1 12 . 1 1 42 42 THR CA C 42 60.166 60.166 63.213 -3.047 25454 5062 1 12 . 1 1 42 42 THR CB C 42 70.588 70.588 69.201 1.387 25454 5063 1 12 . 1 1 42 42 THR H H 42 7.849 7.849 7.269 0.580 25454 5064 1 12 . 1 1 43 43 LEU N N 43 122.979 122.979 124.533 -1.554 25454 5065 1 12 . 1 1 43 43 LEU HA H 43 5.041 5.041 4.483 0.558 25454 5066 1 12 . 1 1 43 43 LEU CA C 43 55.072 55.072 55.775 -0.703 25454 5067 1 12 . 1 1 43 43 LEU CB C 43 42.661 42.661 42.233 0.429 25454 5068 1 12 . 1 1 43 43 LEU H H 43 8.310 8.310 8.276 0.034 25454 5069 1 12 . 1 1 44 44 ASN N N 44 124.579 124.579 120.636 3.943 25454 5070 1 12 . 1 1 44 44 ASN HA H 44 5.135 5.135 4.943 0.192 25454 5071 1 12 . 1 1 44 44 ASN C C 44 175.736 175.736 175.562 0.174 25454 5072 1 12 . 1 1 44 44 ASN CA C 44 50.814 50.814 51.782 -0.968 25454 5073 1 12 . 1 1 44 44 ASN CB C 44 40.280 40.280 41.357 -1.077 25454 5074 1 12 . 1 1 44 44 ASN H H 44 9.542 9.542 9.576 -0.034 25454 5075 1 12 . 1 1 45 45 GLU N N 45 118.210 118.210 119.922 -1.712 25454 5076 1 12 . 1 1 45 45 GLU HA H 45 4.088 4.088 4.041 0.047 25454 5077 1 12 . 1 1 45 45 GLU C C 45 179.010 179.010 177.898 1.112 25454 5078 1 12 . 1 1 45 45 GLU CA C 45 60.349 60.349 60.166 0.183 25454 5079 1 12 . 1 1 45 45 GLU CB C 45 28.908 28.908 29.273 -0.365 25454 5080 1 12 . 1 1 45 45 GLU H H 45 8.752 8.752 8.963 -0.211 25454 5081 1 12 . 1 1 46 46 THR N N 46 116.430 116.430 116.528 -0.098 25454 5082 1 12 . 1 1 46 46 THR HA H 46 4.114 4.114 4.004 0.110 25454 5083 1 12 . 1 1 46 46 THR C C 46 176.994 176.994 176.000 0.994 25454 5084 1 12 . 1 1 46 46 THR CA C 46 66.260 66.260 67.255 -0.995 25454 5085 1 12 . 1 1 46 46 THR CB C 46 68.270 68.270 68.803 -0.533 25454 5086 1 12 . 1 1 46 46 THR H H 46 8.043 8.043 7.749 0.294 25454 5087 1 12 . 1 1 47 47 ASP N N 47 124.380 124.380 122.221 2.159 25454 5088 1 12 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.417 -0.073 25454 5089 1 12 . 1 1 47 47 ASP C C 47 178.914 178.914 178.270 0.644 25454 5090 1 12 . 1 1 47 47 ASP CA C 47 58.630 58.630 56.734 1.896 25454 5091 1 12 . 1 1 47 47 ASP CB C 47 42.350 42.350 39.934 2.416 25454 5092 1 12 . 1 1 47 47 ASP H H 47 8.475 8.475 8.392 0.083 25454 5093 1 12 . 1 1 48 48 LEU N N 48 116.889 116.889 119.212 -2.323 25454 5094 1 12 . 1 1 48 48 LEU HA H 48 4.118 4.118 4.173 -0.055 25454 5095 1 12 . 1 1 48 48 LEU C C 48 175.839 175.839 178.891 -3.052 25454 5096 1 12 . 1 1 48 48 LEU CA C 48 57.432 57.432 57.769 -0.337 25454 5097 1 12 . 1 1 48 48 LEU CB C 48 41.430 41.430 41.826 -0.396 25454 5098 1 12 . 1 1 48 48 LEU H H 48 8.082 8.082 8.835 -0.753 25454 5099 1 12 . 1 1 49 49 THR N N 49 112.550 112.550 114.828 -2.278 25454 5100 1 12 . 1 1 49 49 THR HA H 49 4.310 4.310 4.181 0.129 25454 5101 1 12 . 1 1 49 49 THR C C 49 177.306 177.306 176.315 0.991 25454 5102 1 12 . 1 1 49 49 THR CA C 49 64.520 64.520 66.057 -1.537 25454 5103 1 12 . 1 1 49 49 THR CB C 49 69.525 69.525 68.778 0.746 25454 5104 1 12 . 1 1 49 49 THR H H 49 7.743 7.743 7.597 0.146 25454 5105 1 12 . 1 1 50 50 GLN N N 50 121.570 121.570 120.777 0.793 25454 5106 1 12 . 1 1 50 50 GLN HA H 50 4.344 4.344 4.269 0.075 25454 5107 1 12 . 1 1 50 50 GLN C C 50 178.308 178.308 178.251 0.057 25454 5108 1 12 . 1 1 50 50 GLN CA C 50 58.630 58.630 57.518 1.112 25454 5109 1 12 . 1 1 50 50 GLN CB C 50 30.850 30.850 28.375 2.475 25454 5110 1 12 . 1 1 50 50 GLN H H 50 8.519 8.519 7.680 0.839 25454 5111 1 12 . 1 1 51 51 ILE N N 51 120.320 120.320 121.269 -0.949 25454 5112 1 12 . 1 1 51 51 ILE HA H 51 3.573 3.573 3.904 -0.331 25454 5113 1 12 . 1 1 51 51 ILE CA C 51 69.155 69.155 66.384 2.771 25454 5114 1 12 . 1 1 51 51 ILE CB C 51 35.659 35.659 35.595 0.064 25454 5115 1 12 . 1 1 51 51 ILE H H 51 8.663 8.663 8.839 -0.176 25454 5116 1 12 . 1 1 52 52 PRO HA H 52 4.301 4.301 4.336 -0.035 25454 5117 1 12 . 1 1 52 52 PRO C C 52 179.686 179.686 178.610 1.076 25454 5118 1 12 . 1 1 52 52 PRO CA C 52 66.190 66.190 65.333 0.857 25454 5119 1 12 . 1 1 52 52 PRO CB C 52 31.270 31.270 31.421 -0.151 25454 5120 1 12 . 1 1 53 53 LYS N N 53 116.520 116.520 118.395 -1.875 25454 5121 1 12 . 1 1 53 53 LYS HA H 53 4.231 4.231 4.231 -0.000 25454 5122 1 12 . 1 1 53 53 LYS C C 53 179.475 179.475 179.069 0.406 25454 5123 1 12 . 1 1 53 53 LYS CA C 53 59.017 59.017 58.528 0.489 25454 5124 1 12 . 1 1 53 53 LYS CB C 53 31.796 31.796 31.910 -0.114 25454 5125 1 12 . 1 1 53 53 LYS H H 53 7.016 7.016 7.522 -0.506 25454 5126 1 12 . 1 1 54 54 VAL N N 54 125.220 125.220 115.865 9.355 25454 5127 1 12 . 1 1 54 54 VAL HA H 54 3.022 3.022 4.102 -1.080 25454 5128 1 12 . 1 1 54 54 VAL C C 54 177.692 177.692 177.476 0.216 25454 5129 1 12 . 1 1 54 54 VAL CA C 54 65.860 65.860 65.157 0.703 25454 5130 1 12 . 1 1 54 54 VAL CB C 54 30.623 30.623 30.954 -0.332 25454 5131 1 12 . 1 1 54 54 VAL H H 54 8.068 8.068 8.498 -0.430 25454 5132 1 12 . 1 1 55 55 ILE N N 55 119.943 119.943 121.612 -1.669 25454 5133 1 12 . 1 1 55 55 ILE HA H 55 3.641 3.641 4.147 -0.506 25454 5134 1 12 . 1 1 55 55 ILE C C 55 177.515 177.515 177.934 -0.419 25454 5135 1 12 . 1 1 55 55 ILE CA C 55 66.896 66.896 65.446 1.450 25454 5136 1 12 . 1 1 55 55 ILE CB C 55 38.500 38.500 38.191 0.309 25454 5137 1 12 . 1 1 55 55 ILE H H 55 7.589 7.589 7.499 0.090 25454 5138 1 12 . 1 1 56 56 GLU N N 56 118.310 118.310 120.809 -2.499 25454 5139 1 12 . 1 1 56 56 GLU HA H 56 4.010 4.010 4.018 -0.008 25454 5140 1 12 . 1 1 56 56 GLU C C 56 178.518 178.518 179.218 -0.700 25454 5141 1 12 . 1 1 56 56 GLU CA C 56 59.603 59.603 59.896 -0.293 25454 5142 1 12 . 1 1 56 56 GLU CB C 56 29.776 29.776 29.701 0.075 25454 5143 1 12 . 1 1 56 56 GLU H H 56 7.794 7.794 8.378 -0.584 25454 5144 1 12 . 1 1 57 57 TYR N N 57 120.510 120.510 119.247 1.263 25454 5145 1 12 . 1 1 57 57 TYR HA H 57 4.239 4.239 4.300 -0.061 25454 5146 1 12 . 1 1 57 57 TYR C C 57 178.919 178.919 177.710 1.209 25454 5147 1 12 . 1 1 57 57 TYR CA C 57 61.600 61.600 61.095 0.505 25454 5148 1 12 . 1 1 57 57 TYR CB C 57 39.060 39.060 38.172 0.888 25454 5149 1 12 . 1 1 57 57 TYR H H 57 8.495 8.495 8.712 -0.217 25454 5150 1 12 . 1 1 58 58 CYS N N 58 117.760 117.760 118.146 -0.386 25454 5151 1 12 . 1 1 58 58 CYS HA H 58 4.685 4.685 4.380 0.305 25454 5152 1 12 . 1 1 58 58 CYS C C 58 177.217 177.217 176.199 1.018 25454 5153 1 12 . 1 1 58 58 CYS CA C 58 52.020 52.020 61.207 -9.187 25454 5154 1 12 . 1 1 58 58 CYS CB C 58 31.667 31.667 27.106 4.561 25454 5155 1 12 . 1 1 58 58 CYS H H 58 8.672 8.672 7.911 0.761 25454 5156 1 12 . 1 1 59 59 LYS N N 59 120.550 120.550 119.720 0.830 25454 5157 1 12 . 1 1 59 59 LYS HA H 59 4.008 4.008 4.099 -0.091 25454 5158 1 12 . 1 1 59 59 LYS C C 59 179.247 179.247 178.392 0.855 25454 5159 1 12 . 1 1 59 59 LYS CA C 59 59.790 59.790 58.748 1.042 25454 5160 1 12 . 1 1 59 59 LYS CB C 59 32.800 32.800 31.936 0.865 25454 5161 1 12 . 1 1 59 59 LYS H H 59 8.481 8.481 8.272 0.209 25454 5162 1 12 . 1 1 60 60 LYS N N 60 116.830 116.830 118.237 -1.407 25454 5163 1 12 . 1 1 60 60 LYS HA H 60 4.166 4.166 4.175 -0.009 25454 5164 1 12 . 1 1 60 60 LYS C C 60 176.432 176.432 177.251 -0.819 25454 5165 1 12 . 1 1 60 60 LYS CA C 60 57.260 57.260 58.172 -0.913 25454 5166 1 12 . 1 1 60 60 LYS CB C 60 33.760 33.760 33.042 0.718 25454 5167 1 12 . 1 1 60 60 LYS H H 60 7.455 7.455 8.219 -0.764 25454 5168 1 12 . 1 1 61 61 ASN N N 61 117.140 117.140 116.494 0.646 25454 5169 1 12 . 1 1 61 61 ASN HA H 61 4.686 4.686 5.334 -0.648 25454 5170 1 12 . 1 1 61 61 ASN CA C 61 51.300 51.300 50.874 0.426 25454 5171 1 12 . 1 1 61 61 ASN CB C 61 40.208 40.208 38.602 1.606 25454 5172 1 12 . 1 1 61 61 ASN H H 61 7.368 7.368 7.671 -0.303 25454 5173 1 12 . 1 1 62 62 PRO HA H 62 4.227 4.227 4.381 -0.154 25454 5174 1 12 . 1 1 62 62 PRO C C 62 177.511 177.511 177.626 -0.115 25454 5175 1 12 . 1 1 62 62 PRO CA C 62 65.430 65.430 65.150 0.280 25454 5176 1 12 . 1 1 62 62 PRO CB C 62 31.800 31.800 32.119 -0.319 25454 5177 1 12 . 1 1 63 63 GLN N N 63 114.045 114.045 113.348 0.697 25454 5178 1 12 . 1 1 63 63 GLN HA H 63 4.450 4.450 4.206 0.244 25454 5179 1 12 . 1 1 63 63 GLN C C 63 177.766 177.766 176.362 1.404 25454 5180 1 12 . 1 1 63 63 GLN CA C 63 56.200 56.200 57.244 -1.044 25454 5181 1 12 . 1 1 63 63 GLN CB C 63 28.200 28.200 28.232 -0.031 25454 5182 1 12 . 1 1 63 63 GLN H H 63 8.578 8.578 8.409 0.169 25454 5183 1 12 . 1 1 64 64 LYS N N 64 119.960 119.960 120.641 -0.681 25454 5184 1 12 . 1 1 64 64 LYS HA H 64 4.452 4.452 4.281 0.171 25454 5185 1 12 . 1 1 64 64 LYS C C 64 176.151 176.151 175.656 0.495 25454 5186 1 12 . 1 1 64 64 LYS CA C 64 55.660 55.660 55.597 0.063 25454 5187 1 12 . 1 1 64 64 LYS CB C 64 33.500 33.500 33.100 0.400 25454 5188 1 12 . 1 1 64 64 LYS H H 64 7.628 7.628 7.727 -0.099 25454 5189 1 12 . 1 1 65 65 ASN N N 65 120.139 120.139 117.822 2.317 25454 5190 1 12 . 1 1 65 65 ASN HA H 65 4.807 4.807 4.503 0.304 25454 5191 1 12 . 1 1 65 65 ASN CA C 65 54.070 54.070 53.515 0.555 25454 5192 1 12 . 1 1 65 65 ASN CB C 65 38.070 38.070 39.234 -1.164 25454 5193 1 12 . 1 1 65 65 ASN H H 65 8.936 8.936 8.360 0.576 25454 5194 1 12 . 1 1 66 66 LEU N N 66 129.960 129.960 123.720 6.240 25454 5195 1 12 . 1 1 66 66 LEU HA H 66 4.165 4.165 3.581 0.584 25454 5196 1 12 . 1 1 66 66 LEU C C 66 176.948 176.948 177.528 -0.580 25454 5197 1 12 . 1 1 66 66 LEU CA C 66 59.220 59.220 56.695 2.525 25454 5198 1 12 . 1 1 66 66 LEU CB C 66 42.830 42.830 42.255 0.575 25454 5199 1 12 . 1 1 66 66 LEU H H 66 8.939 8.939 8.103 0.836 25454 5200 1 12 . 1 1 67 67 TYR N N 67 115.770 115.770 117.331 -1.561 25454 5201 1 12 . 1 1 67 67 TYR HA H 67 4.077 4.077 4.304 -0.227 25454 5202 1 12 . 1 1 67 67 TYR C C 67 178.731 178.731 177.949 0.782 25454 5203 1 12 . 1 1 67 67 TYR CA C 67 61.277 61.277 60.607 0.670 25454 5204 1 12 . 1 1 67 67 TYR CB C 67 36.768 36.768 38.314 -1.546 25454 5205 1 12 . 1 1 67 67 TYR H H 67 9.409 9.409 7.652 1.757 25454 5206 1 12 . 1 1 68 68 THR N N 68 112.470 112.470 116.016 -3.546 25454 5207 1 12 . 1 1 68 68 THR HA H 68 4.268 4.268 4.048 0.220 25454 5208 1 12 . 1 1 68 68 THR C C 68 176.104 176.104 175.805 0.299 25454 5209 1 12 . 1 1 68 68 THR CA C 68 64.650 64.650 65.338 -0.688 25454 5210 1 12 . 1 1 68 68 THR CB C 68 70.268 70.268 68.491 1.777 25454 5211 1 12 . 1 1 68 68 THR H H 68 8.076 8.076 8.447 -0.371 25454 5212 1 12 . 1 1 69 69 PHE N N 69 123.660 123.660 119.599 4.061 25454 5213 1 12 . 1 1 69 69 PHE HA H 69 2.811 2.811 4.358 -1.547 25454 5214 1 12 . 1 1 69 69 PHE C C 69 176.290 176.290 177.396 -1.106 25454 5215 1 12 . 1 1 69 69 PHE CA C 69 61.510 61.510 58.039 3.471 25454 5216 1 12 . 1 1 69 69 PHE CB C 69 39.610 39.610 37.821 1.789 25454 5217 1 12 . 1 1 69 69 PHE H H 69 7.969 7.969 7.824 0.145 25454 5218 1 12 . 1 1 70 70 LYS N N 70 113.530 113.530 120.999 -7.469 25454 5219 1 12 . 1 1 70 70 LYS HA H 70 3.757 3.757 3.949 -0.192 25454 5220 1 12 . 1 1 70 70 LYS C C 70 176.269 176.269 178.375 -2.106 25454 5221 1 12 . 1 1 70 70 LYS CA C 70 57.840 57.840 58.599 -0.758 25454 5222 1 12 . 1 1 70 70 LYS CB C 70 32.520 32.520 32.315 0.206 25454 5223 1 12 . 1 1 70 70 LYS H H 70 6.957 6.957 8.037 -1.080 25454 5224 1 12 . 1 1 71 71 ASN N N 71 117.360 117.360 116.609 0.751 25454 5225 1 12 . 1 1 71 71 ASN HA H 71 4.652 4.652 4.492 0.160 25454 5226 1 12 . 1 1 71 71 ASN C C 71 175.155 175.155 176.551 -1.396 25454 5227 1 12 . 1 1 71 71 ASN CA C 71 53.273 53.273 55.149 -1.876 25454 5228 1 12 . 1 1 71 71 ASN CB C 71 38.870 38.870 38.416 0.454 25454 5229 1 12 . 1 1 71 71 ASN H H 71 7.488 7.488 8.221 -0.733 25454 5230 1 12 . 1 1 72 72 GLN N N 72 119.610 119.610 118.050 1.560 25454 5231 1 12 . 1 1 72 72 GLN HA H 72 4.202 4.202 4.112 0.090 25454 5232 1 12 . 1 1 72 72 GLN C C 72 179.467 179.467 175.848 3.619 25454 5233 1 12 . 1 1 72 72 GLN CA C 72 56.160 56.160 57.057 -0.897 25454 5234 1 12 . 1 1 72 72 GLN CB C 72 29.460 29.460 28.869 0.591 25454 5235 1 12 . 1 1 72 72 GLN H H 72 7.611 7.611 7.766 -0.155 25454 5236 1 12 . 1 1 73 73 ALA N N 73 125.130 125.130 121.752 3.378 25454 5237 1 12 . 1 1 73 73 ALA HA H 73 4.198 4.198 4.613 -0.415 25454 5238 1 12 . 1 1 73 73 ALA C C 73 177.907 177.907 177.400 0.507 25454 5239 1 12 . 1 1 73 73 ALA CA C 73 52.761 52.761 50.865 1.895 25454 5240 1 12 . 1 1 73 73 ALA CB C 73 19.028 19.028 20.197 -1.169 25454 5241 1 12 . 1 1 73 73 ALA H H 73 8.072 8.072 7.485 0.587 25454 5242 1 12 . 1 1 74 74 SER N N 74 115.100 115.100 122.534 -7.434 25454 5243 1 12 . 1 1 74 74 SER HA H 74 4.344 4.344 4.139 0.205 25454 5244 1 12 . 1 1 74 74 SER C C 74 174.562 174.562 174.825 -0.263 25454 5245 1 12 . 1 1 74 74 SER CA C 74 58.640 58.640 58.878 -0.238 25454 5246 1 12 . 1 1 74 74 SER CB C 74 63.660 63.660 63.240 0.420 25454 5247 1 12 . 1 1 74 74 SER H H 74 8.114 8.114 8.791 -0.677 25454 5248 1 12 . 1 1 75 75 ASN N N 75 120.950 120.950 119.272 1.678 25454 5249 1 12 . 1 1 75 75 ASN HA H 75 4.698 4.698 4.411 0.287 25454 5250 1 12 . 1 1 75 75 ASN C C 75 174.790 174.790 174.800 -0.010 25454 5251 1 12 . 1 1 75 75 ASN CA C 75 53.340 53.340 54.157 -0.818 25454 5252 1 12 . 1 1 75 75 ASN CB C 75 38.980 38.980 38.333 0.647 25454 5253 1 12 . 1 1 75 75 ASN H H 75 8.283 8.283 7.940 0.343 25454 5254 1 12 . 1 1 76 76 ASP N N 76 120.550 120.550 120.451 0.099 25454 5255 1 12 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.720 -0.117 25454 5256 1 12 . 1 1 76 76 ASP C C 76 175.588 175.588 175.982 -0.394 25454 5257 1 12 . 1 1 76 76 ASP CA C 76 53.940 53.940 53.821 0.119 25454 5258 1 12 . 1 1 76 76 ASP CB C 76 40.510 40.510 40.740 -0.230 25454 5259 1 12 . 1 1 76 76 ASP H H 76 8.201 8.201 8.563 -0.362 25454 5260 1 12 . 1 1 77 77 LEU N N 77 123.780 123.780 118.296 5.484 25454 5261 1 12 . 1 1 77 77 LEU HA H 77 4.600 4.600 4.883 -0.283 25454 5262 1 12 . 1 1 77 77 LEU CA C 77 52.980 52.980 52.210 0.770 25454 5263 1 12 . 1 1 77 77 LEU CB C 77 41.850 41.850 40.321 1.529 25454 5264 1 12 . 1 1 77 77 LEU H H 77 8.021 8.021 7.631 0.390 25454 5265 1 12 . 1 1 78 78 PRO HA H 78 4.417 4.417 4.361 0.056 25454 5266 1 12 . 1 1 78 78 PRO C C 78 176.058 176.058 176.549 -0.491 25454 5267 1 12 . 1 1 78 78 PRO CA C 78 63.260 63.260 63.204 0.056 25454 5268 1 12 . 1 1 78 78 PRO CB C 78 31.956 31.956 32.386 -0.430 25454 5269 1 13 . 1 1 2 2 ASN N N 2 118.440 118.440 117.462 0.978 25454 5270 1 13 . 1 1 2 2 ASN HA H 2 4.660 4.660 4.620 0.040 25454 5271 1 13 . 1 1 2 2 ASN C C 2 174.884 174.884 175.021 -0.137 25454 5272 1 13 . 1 1 2 2 ASN CA C 2 53.730 53.730 54.455 -0.725 25454 5273 1 13 . 1 1 2 2 ASN CB C 2 38.500 38.500 38.015 0.485 25454 5274 1 13 . 1 1 2 2 ASN H H 2 8.869 8.869 8.944 -0.075 25454 5275 1 13 . 1 1 3 3 GLU N N 3 121.390 121.390 120.126 1.264 25454 5276 1 13 . 1 1 3 3 GLU HA H 3 4.416 4.416 4.344 0.072 25454 5277 1 13 . 1 1 3 3 GLU C C 3 175.916 175.916 176.417 -0.501 25454 5278 1 13 . 1 1 3 3 GLU CA C 3 56.300 56.300 56.347 -0.047 25454 5279 1 13 . 1 1 3 3 GLU CB C 3 29.810 29.810 30.624 -0.814 25454 5280 1 13 . 1 1 3 3 GLU H H 3 8.560 8.560 8.392 0.168 25454 5281 1 13 . 1 1 4 4 SER N N 4 118.190 118.190 115.834 2.356 25454 5282 1 13 . 1 1 4 4 SER HA H 4 4.716 4.716 4.448 0.268 25454 5283 1 13 . 1 1 4 4 SER C C 4 175.686 175.686 174.208 1.478 25454 5284 1 13 . 1 1 4 4 SER CA C 4 57.890 57.890 56.398 1.492 25454 5285 1 13 . 1 1 4 4 SER CB C 4 65.080 65.080 63.182 1.898 25454 5286 1 13 . 1 1 4 4 SER H H 4 8.802 8.802 8.517 0.285 25454 5287 1 13 . 1 1 5 5 ALA N N 5 128.990 128.990 129.381 -0.391 25454 5288 1 13 . 1 1 5 5 ALA HA H 5 4.142 4.142 4.136 0.006 25454 5289 1 13 . 1 1 5 5 ALA C C 5 179.112 179.112 179.286 -0.174 25454 5290 1 13 . 1 1 5 5 ALA CA C 5 55.880 55.880 54.442 1.438 25454 5291 1 13 . 1 1 5 5 ALA CB C 5 18.110 18.110 19.058 -0.948 25454 5292 1 13 . 1 1 5 5 ALA H H 5 8.992 8.992 9.052 -0.060 25454 5293 1 13 . 1 1 6 6 LYS N N 6 114.810 114.810 117.408 -2.598 25454 5294 1 13 . 1 1 6 6 LYS HA H 6 3.221 3.221 2.549 0.672 25454 5295 1 13 . 1 1 6 6 LYS C C 6 177.448 177.448 177.054 0.394 25454 5296 1 13 . 1 1 6 6 LYS CA C 6 57.740 57.740 58.669 -0.929 25454 5297 1 13 . 1 1 6 6 LYS CB C 6 31.830 31.830 31.796 0.034 25454 5298 1 13 . 1 1 6 6 LYS H H 6 7.776 7.776 7.820 -0.044 25454 5299 1 13 . 1 1 7 7 ASP N N 7 119.190 119.190 116.960 2.230 25454 5300 1 13 . 1 1 7 7 ASP HA H 7 4.748 4.748 4.848 -0.100 25454 5301 1 13 . 1 1 7 7 ASP C C 7 176.254 176.254 175.373 0.881 25454 5302 1 13 . 1 1 7 7 ASP CA C 7 53.800 53.800 53.423 0.377 25454 5303 1 13 . 1 1 7 7 ASP CB C 7 41.560 41.560 40.637 0.923 25454 5304 1 13 . 1 1 7 7 ASP H H 7 7.744 7.744 7.767 -0.023 25454 5305 1 13 . 1 1 8 8 MET N N 8 122.540 122.540 121.735 0.805 25454 5306 1 13 . 1 1 8 8 MET HA H 8 4.502 4.502 4.464 0.038 25454 5307 1 13 . 1 1 8 8 MET C C 8 176.932 176.932 175.902 1.030 25454 5308 1 13 . 1 1 8 8 MET CA C 8 56.390 56.390 56.643 -0.253 25454 5309 1 13 . 1 1 8 8 MET CB C 8 35.300 35.300 33.494 1.806 25454 5310 1 13 . 1 1 8 8 MET H H 8 7.925 7.925 7.152 0.773 25454 5311 1 13 . 1 1 9 9 THR N N 9 121.410 121.410 121.924 -0.514 25454 5312 1 13 . 1 1 9 9 THR HA H 9 4.794 4.794 4.449 0.345 25454 5313 1 13 . 1 1 9 9 THR C C 9 176.198 176.198 175.364 0.834 25454 5314 1 13 . 1 1 9 9 THR CA C 9 61.960 61.960 62.443 -0.483 25454 5315 1 13 . 1 1 9 9 THR CB C 9 72.200 72.200 70.123 2.077 25454 5316 1 13 . 1 1 9 9 THR H H 9 9.927 9.927 8.233 1.694 25454 5317 1 13 . 1 1 10 10 CYS N N 10 121.150 121.150 125.310 -4.160 25454 5318 1 13 . 1 1 10 10 CYS HA H 10 4.685 4.685 4.269 0.416 25454 5319 1 13 . 1 1 10 10 CYS C C 10 177.324 177.324 177.118 0.206 25454 5320 1 13 . 1 1 10 10 CYS CA C 10 56.970 56.970 62.415 -5.445 25454 5321 1 13 . 1 1 10 10 CYS CB C 10 32.440 32.440 25.789 6.651 25454 5322 1 13 . 1 1 10 10 CYS H H 10 9.765 9.765 8.881 0.884 25454 5323 1 13 . 1 1 11 11 GLN N N 11 121.360 121.360 119.648 1.712 25454 5324 1 13 . 1 1 11 11 GLN HA H 11 3.894 3.894 4.131 -0.237 25454 5325 1 13 . 1 1 11 11 GLN C C 11 176.902 176.902 177.335 -0.433 25454 5326 1 13 . 1 1 11 11 GLN CA C 11 58.680 58.680 58.522 0.159 25454 5327 1 13 . 1 1 11 11 GLN CB C 11 28.900 28.900 28.345 0.555 25454 5328 1 13 . 1 1 11 11 GLN H H 11 8.583 8.583 8.247 0.336 25454 5329 1 13 . 1 1 12 12 GLU N N 12 117.090 117.090 119.236 -2.146 25454 5330 1 13 . 1 1 12 12 GLU HA H 12 3.983 3.983 4.138 -0.154 25454 5331 1 13 . 1 1 12 12 GLU C C 12 179.763 179.763 178.162 1.601 25454 5332 1 13 . 1 1 12 12 GLU CA C 12 59.528 59.528 57.800 1.728 25454 5333 1 13 . 1 1 12 12 GLU CB C 12 31.830 31.830 30.005 1.825 25454 5334 1 13 . 1 1 12 12 GLU H H 12 7.867 7.867 7.715 0.152 25454 5335 1 13 . 1 1 13 13 PHE N N 13 119.630 119.630 120.786 -1.156 25454 5336 1 13 . 1 1 13 13 PHE HA H 13 4.269 4.269 4.228 0.041 25454 5337 1 13 . 1 1 13 13 PHE C C 13 176.432 176.432 178.203 -1.771 25454 5338 1 13 . 1 1 13 13 PHE CA C 13 61.150 61.150 61.367 -0.217 25454 5339 1 13 . 1 1 13 13 PHE CB C 13 39.520 39.520 39.608 -0.088 25454 5340 1 13 . 1 1 13 13 PHE H H 13 8.182 8.182 8.453 -0.271 25454 5341 1 13 . 1 1 14 14 ILE N N 14 114.180 114.180 113.821 0.359 25454 5342 1 13 . 1 1 14 14 ILE HA H 14 3.761 3.761 3.857 -0.096 25454 5343 1 13 . 1 1 14 14 ILE C C 14 177.089 177.089 175.872 1.217 25454 5344 1 13 . 1 1 14 14 ILE CA C 14 63.030 63.030 63.161 -0.131 25454 5345 1 13 . 1 1 14 14 ILE CB C 14 36.740 36.740 37.165 -0.425 25454 5346 1 13 . 1 1 14 14 ILE H H 14 8.191 8.191 8.164 0.027 25454 5347 1 13 . 1 1 15 15 ASP N N 15 120.260 120.260 119.526 0.734 25454 5348 1 13 . 1 1 15 15 ASP HA H 15 4.716 4.716 4.689 0.027 25454 5349 1 13 . 1 1 15 15 ASP C C 15 174.697 174.697 176.337 -1.640 25454 5350 1 13 . 1 1 15 15 ASP CA C 15 54.080 54.080 53.975 0.105 25454 5351 1 13 . 1 1 15 15 ASP CB C 15 40.810 40.810 42.366 -1.556 25454 5352 1 13 . 1 1 15 15 ASP H H 15 7.478 7.478 7.694 -0.216 25454 5353 1 13 . 1 1 16 16 LEU N N 16 122.985 122.985 119.569 3.416 25454 5354 1 13 . 1 1 16 16 LEU HA H 16 4.067 4.067 4.283 -0.216 25454 5355 1 13 . 1 1 16 16 LEU C C 16 176.710 176.710 176.165 0.545 25454 5356 1 13 . 1 1 16 16 LEU CA C 16 55.028 55.028 55.198 -0.170 25454 5357 1 13 . 1 1 16 16 LEU CB C 16 43.370 43.370 42.783 0.587 25454 5358 1 13 . 1 1 16 16 LEU H H 16 7.226 7.226 7.333 -0.107 25454 5359 1 13 . 1 1 17 17 ASN N N 17 119.620 119.620 119.833 -0.213 25454 5360 1 13 . 1 1 17 17 ASN HA H 17 4.634 4.634 4.764 -0.130 25454 5361 1 13 . 1 1 17 17 ASN CA C 17 52.048 52.048 51.920 0.128 25454 5362 1 13 . 1 1 17 17 ASN CB C 17 39.480 39.480 39.340 0.140 25454 5363 1 13 . 1 1 17 17 ASN H H 17 7.265 7.265 8.366 -1.101 25454 5364 1 13 . 1 1 18 18 PRO HA H 18 4.137 4.137 4.441 -0.304 25454 5365 1 13 . 1 1 18 18 PRO C C 18 179.247 179.247 177.295 1.952 25454 5366 1 13 . 1 1 18 18 PRO CA C 18 65.370 65.370 63.981 1.389 25454 5367 1 13 . 1 1 18 18 PRO CB C 18 32.610 32.610 31.983 0.627 25454 5368 1 13 . 1 1 19 19 LYS N N 19 116.450 116.450 119.477 -3.027 25454 5369 1 13 . 1 1 19 19 LYS HA H 19 3.856 3.856 4.026 -0.170 25454 5370 1 13 . 1 1 19 19 LYS C C 19 176.995 176.995 178.521 -1.526 25454 5371 1 13 . 1 1 19 19 LYS CA C 19 59.080 59.080 59.294 -0.214 25454 5372 1 13 . 1 1 19 19 LYS CB C 19 34.940 34.940 32.123 2.817 25454 5373 1 13 . 1 1 19 19 LYS H H 19 8.445 8.445 8.603 -0.158 25454 5374 1 13 . 1 1 20 20 ALA N N 20 116.170 116.170 120.237 -4.067 25454 5375 1 13 . 1 1 20 20 ALA HA H 20 4.255 4.255 4.326 -0.071 25454 5376 1 13 . 1 1 20 20 ALA C C 20 177.511 177.511 179.452 -1.941 25454 5377 1 13 . 1 1 20 20 ALA CA C 20 51.640 51.640 53.739 -2.099 25454 5378 1 13 . 1 1 20 20 ALA CB C 20 21.660 21.660 18.328 3.332 25454 5379 1 13 . 1 1 20 20 ALA H H 20 8.400 8.400 8.078 0.322 25454 5380 1 13 . 1 1 21 21 MET N N 21 117.850 117.850 119.009 -1.159 25454 5381 1 13 . 1 1 21 21 MET HA H 21 3.645 3.645 3.962 -0.317 25454 5382 1 13 . 1 1 21 21 MET C C 21 177.511 177.511 178.034 -0.523 25454 5383 1 13 . 1 1 21 21 MET CA C 21 61.418 61.418 60.126 1.292 25454 5384 1 13 . 1 1 21 21 MET CB C 21 33.220 33.220 32.406 0.814 25454 5385 1 13 . 1 1 21 21 MET H H 21 7.206 7.206 7.932 -0.726 25454 5386 1 13 . 1 1 22 22 THR N N 22 114.690 114.690 114.754 -0.064 25454 5387 1 13 . 1 1 22 22 THR HA H 22 4.115 4.115 4.263 -0.148 25454 5388 1 13 . 1 1 22 22 THR CA C 22 69.550 69.550 68.313 1.237 25454 5389 1 13 . 1 1 22 22 THR CB C 22 65.700 65.700 66.269 -0.569 25454 5390 1 13 . 1 1 22 22 THR H H 22 8.695 8.695 8.338 0.357 25454 5391 1 13 . 1 1 23 23 PRO HA H 23 3.550 3.550 4.377 -0.827 25454 5392 1 13 . 1 1 23 23 PRO C C 23 178.637 178.637 178.986 -0.349 25454 5393 1 13 . 1 1 23 23 PRO CA C 23 65.770 65.770 66.113 -0.343 25454 5394 1 13 . 1 1 23 23 PRO CB C 23 31.182 31.182 31.076 0.106 25454 5395 1 13 . 1 1 24 24 VAL N N 24 115.820 115.820 119.441 -3.621 25454 5396 1 13 . 1 1 24 24 VAL HA H 24 3.675 3.675 4.084 -0.409 25454 5397 1 13 . 1 1 24 24 VAL C C 24 177.464 177.464 177.886 -0.422 25454 5398 1 13 . 1 1 24 24 VAL CA C 24 67.490 67.490 65.065 2.425 25454 5399 1 13 . 1 1 24 24 VAL CB C 24 31.970 31.970 31.362 0.608 25454 5400 1 13 . 1 1 24 24 VAL H H 24 7.441 7.441 7.615 -0.174 25454 5401 1 13 . 1 1 25 25 ALA N N 25 122.670 122.670 122.147 0.523 25454 5402 1 13 . 1 1 25 25 ALA HA H 25 3.783 3.783 4.188 -0.405 25454 5403 1 13 . 1 1 25 25 ALA C C 25 178.497 178.497 179.491 -0.994 25454 5404 1 13 . 1 1 25 25 ALA CA C 25 55.620 55.620 55.069 0.551 25454 5405 1 13 . 1 1 25 25 ALA CB C 25 18.852 18.852 18.483 0.369 25454 5406 1 13 . 1 1 25 25 ALA H H 25 8.805 8.805 8.826 -0.021 25454 5407 1 13 . 1 1 26 26 TRP N N 26 118.270 118.270 121.386 -3.116 25454 5408 1 13 . 1 1 26 26 TRP HA H 26 3.709 3.709 4.550 -0.841 25454 5409 1 13 . 1 1 26 26 TRP C C 26 178.309 178.309 177.058 1.251 25454 5410 1 13 . 1 1 26 26 TRP CA C 26 63.940 63.940 60.794 3.146 25454 5411 1 13 . 1 1 26 26 TRP CB C 26 29.740 29.740 29.995 -0.255 25454 5412 1 13 . 1 1 26 26 TRP H H 26 9.181 9.181 8.137 1.044 25454 5413 1 13 . 1 1 27 27 TRP N N 27 119.740 119.740 121.429 -1.689 25454 5414 1 13 . 1 1 27 27 TRP HA H 27 4.118 4.118 2.990 1.128 25454 5415 1 13 . 1 1 27 27 TRP C C 27 177.511 177.511 178.092 -0.581 25454 5416 1 13 . 1 1 27 27 TRP CA C 27 60.588 60.588 59.591 0.997 25454 5417 1 13 . 1 1 27 27 TRP CB C 27 30.021 30.021 29.203 0.818 25454 5418 1 13 . 1 1 27 27 TRP H H 27 8.527 8.527 8.896 -0.369 25454 5419 1 13 . 1 1 28 28 MET N N 28 119.130 119.130 118.962 0.168 25454 5420 1 13 . 1 1 28 28 MET HA H 28 3.618 3.618 3.071 0.547 25454 5421 1 13 . 1 1 28 28 MET C C 28 177.587 177.587 176.677 0.910 25454 5422 1 13 . 1 1 28 28 MET CA C 28 58.540 58.540 58.948 -0.408 25454 5423 1 13 . 1 1 28 28 MET CB C 28 29.392 29.392 31.654 -2.262 25454 5424 1 13 . 1 1 28 28 MET H H 28 7.756 7.756 7.627 0.129 25454 5425 1 13 . 1 1 29 29 LEU N N 29 117.820 117.820 115.489 2.331 25454 5426 1 13 . 1 1 29 29 LEU HA H 29 3.559 3.559 3.959 -0.400 25454 5427 1 13 . 1 1 29 29 LEU C C 29 179.417 179.417 178.138 1.279 25454 5428 1 13 . 1 1 29 29 LEU CA C 29 57.043 57.043 57.021 0.022 25454 5429 1 13 . 1 1 29 29 LEU CB C 29 42.676 42.676 41.804 0.872 25454 5430 1 13 . 1 1 29 29 LEU H H 29 7.838 7.838 7.241 0.597 25454 5431 1 13 . 1 1 30 30 HIS N N 30 113.790 113.790 114.612 -0.822 25454 5432 1 13 . 1 1 30 30 HIS HA H 30 4.059 4.059 4.542 -0.483 25454 5433 1 13 . 1 1 30 30 HIS C C 30 176.289 176.289 175.159 1.130 25454 5434 1 13 . 1 1 30 30 HIS CA C 30 56.030 56.030 56.239 -0.208 25454 5435 1 13 . 1 1 30 30 HIS CB C 30 29.216 29.216 32.898 -3.682 25454 5436 1 13 . 1 1 30 30 HIS H H 30 7.757 7.757 7.695 0.062 25454 5437 1 13 . 1 1 31 31 GLU N N 31 125.870 125.870 118.029 7.841 25454 5438 1 13 . 1 1 31 31 GLU HA H 31 4.450 4.450 4.089 0.361 25454 5439 1 13 . 1 1 31 31 GLU C C 31 176.775 176.775 175.911 0.864 25454 5440 1 13 . 1 1 31 31 GLU CA C 31 56.160 56.160 57.092 -0.932 25454 5441 1 13 . 1 1 31 31 GLU CB C 31 28.386 28.386 29.126 -0.740 25454 5442 1 13 . 1 1 31 31 GLU H H 31 8.916 8.916 7.893 1.023 25454 5443 1 13 . 1 1 32 32 GLU N N 32 116.185 116.185 122.824 -6.639 25454 5444 1 13 . 1 1 32 32 GLU HA H 32 3.563 3.563 4.353 -0.790 25454 5445 1 13 . 1 1 32 32 GLU C C 32 174.994 174.994 177.847 -2.853 25454 5446 1 13 . 1 1 32 32 GLU CA C 32 58.090 58.090 58.667 -0.577 25454 5447 1 13 . 1 1 32 32 GLU CB C 32 26.783 26.783 29.525 -2.742 25454 5448 1 13 . 1 1 32 32 GLU H H 32 9.330 9.330 8.651 0.679 25454 5449 1 13 . 1 1 33 33 THR N N 33 110.202 110.202 112.737 -2.535 25454 5450 1 13 . 1 1 33 33 THR HA H 33 4.696 4.696 4.234 0.462 25454 5451 1 13 . 1 1 33 33 THR C C 33 173.529 173.529 174.227 -0.698 25454 5452 1 13 . 1 1 33 33 THR CA C 33 60.129 60.129 61.966 -1.837 25454 5453 1 13 . 1 1 33 33 THR CB C 33 71.864 71.864 67.402 4.462 25454 5454 1 13 . 1 1 33 33 THR H H 33 7.620 7.620 8.005 -0.385 25454 5455 1 13 . 1 1 34 34 VAL N N 34 121.967 121.967 119.232 2.735 25454 5456 1 13 . 1 1 34 34 VAL HA H 34 4.139 4.139 3.808 0.331 25454 5457 1 13 . 1 1 34 34 VAL C C 34 172.579 172.579 175.372 -2.793 25454 5458 1 13 . 1 1 34 34 VAL CA C 34 63.032 63.032 63.522 -0.490 25454 5459 1 13 . 1 1 34 34 VAL CB C 34 32.594 32.594 31.811 0.783 25454 5460 1 13 . 1 1 34 34 VAL H H 34 8.308 8.308 7.712 0.596 25454 5461 1 13 . 1 1 35 35 TYR N N 35 129.550 129.550 125.892 3.658 25454 5462 1 13 . 1 1 35 35 TYR HA H 35 4.562 4.562 4.391 0.171 25454 5463 1 13 . 1 1 35 35 TYR CA C 35 58.660 58.660 57.414 1.246 25454 5464 1 13 . 1 1 35 35 TYR CB C 35 39.520 39.520 38.324 1.196 25454 5465 1 13 . 1 1 35 35 TYR H H 35 8.610 8.610 8.907 -0.297 25454 5466 1 13 . 1 1 36 36 LYS N N 36 129.360 129.360 119.860 9.500 25454 5467 1 13 . 1 1 36 36 LYS HA H 36 4.411 4.411 3.895 0.516 25454 5468 1 13 . 1 1 36 36 LYS CA C 36 55.626 55.626 57.062 -1.436 25454 5469 1 13 . 1 1 36 36 LYS CB C 36 32.790 32.790 30.298 2.492 25454 5470 1 13 . 1 1 36 36 LYS H H 36 8.509 8.509 8.504 0.005 25454 5471 1 13 . 1 1 37 37 GLY N N 37 109.150 109.150 104.970 4.180 25454 5472 1 13 . 1 1 37 37 GLY C C 37 174.428 174.428 174.686 -0.258 25454 5473 1 13 . 1 1 37 37 GLY CA C 37 46.427 46.427 44.445 1.982 25454 5474 1 13 . 1 1 37 37 GLY H H 37 6.819 6.819 8.449 -1.630 25454 5475 1 13 . 1 1 38 38 GLY N N 38 110.780 110.780 109.782 0.998 25454 5476 1 13 . 1 1 38 38 GLY C C 38 174.108 174.108 173.550 0.558 25454 5477 1 13 . 1 1 38 38 GLY CA C 38 44.972 44.972 44.939 0.033 25454 5478 1 13 . 1 1 38 38 GLY H H 38 8.365 8.365 7.979 0.386 25454 5479 1 13 . 1 1 39 39 ASP N N 39 120.800 120.800 117.814 2.986 25454 5480 1 13 . 1 1 39 39 ASP HA H 39 4.789 4.789 4.760 0.029 25454 5481 1 13 . 1 1 39 39 ASP C C 39 177.820 177.820 176.001 1.819 25454 5482 1 13 . 1 1 39 39 ASP CA C 39 55.340 55.340 53.023 2.317 25454 5483 1 13 . 1 1 39 39 ASP CB C 39 41.150 41.150 42.428 -1.278 25454 5484 1 13 . 1 1 39 39 ASP H H 39 8.476 8.476 8.183 0.293 25454 5485 1 13 . 1 1 40 40 THR N N 40 111.201 111.201 112.170 -0.969 25454 5486 1 13 . 1 1 40 40 THR HA H 40 3.753 3.753 4.032 -0.279 25454 5487 1 13 . 1 1 40 40 THR C C 40 175.526 175.526 175.475 0.051 25454 5488 1 13 . 1 1 40 40 THR CA C 40 60.300 60.300 62.185 -1.885 25454 5489 1 13 . 1 1 40 40 THR CB C 40 71.278 71.278 67.941 3.337 25454 5490 1 13 . 1 1 40 40 THR H H 40 8.132 8.132 8.531 -0.399 25454 5491 1 13 . 1 1 41 41 VAL N N 41 125.014 125.014 114.215 10.799 25454 5492 1 13 . 1 1 41 41 VAL HA H 41 3.831 3.831 3.708 0.123 25454 5493 1 13 . 1 1 41 41 VAL C C 41 174.100 174.100 175.962 -1.862 25454 5494 1 13 . 1 1 41 41 VAL CA C 41 63.988 63.988 63.044 0.944 25454 5495 1 13 . 1 1 41 41 VAL CB C 41 30.465 30.465 31.097 -0.632 25454 5496 1 13 . 1 1 41 41 VAL H H 41 8.278 8.278 8.095 0.183 25454 5497 1 13 . 1 1 42 42 THR N N 42 121.970 121.970 114.240 7.730 25454 5498 1 13 . 1 1 42 42 THR HA H 42 4.603 4.603 4.065 0.538 25454 5499 1 13 . 1 1 42 42 THR C C 42 172.978 172.978 174.478 -1.500 25454 5500 1 13 . 1 1 42 42 THR CA C 42 60.166 60.166 63.093 -2.927 25454 5501 1 13 . 1 1 42 42 THR CB C 42 70.588 70.588 69.469 1.119 25454 5502 1 13 . 1 1 42 42 THR H H 42 7.849 7.849 7.509 0.340 25454 5503 1 13 . 1 1 43 43 LEU N N 43 122.979 122.979 125.663 -2.684 25454 5504 1 13 . 1 1 43 43 LEU HA H 43 5.041 5.041 4.314 0.727 25454 5505 1 13 . 1 1 43 43 LEU CA C 43 55.072 55.072 55.388 -0.316 25454 5506 1 13 . 1 1 43 43 LEU CB C 43 42.661 42.661 41.305 1.356 25454 5507 1 13 . 1 1 43 43 LEU H H 43 8.310 8.310 8.293 0.017 25454 5508 1 13 . 1 1 44 44 ASN N N 44 124.579 124.579 126.229 -1.650 25454 5509 1 13 . 1 1 44 44 ASN HA H 44 5.135 5.135 5.050 0.085 25454 5510 1 13 . 1 1 44 44 ASN C C 44 175.736 175.736 175.335 0.401 25454 5511 1 13 . 1 1 44 44 ASN CA C 44 50.814 50.814 52.230 -1.416 25454 5512 1 13 . 1 1 44 44 ASN CB C 44 40.280 40.280 40.354 -0.074 25454 5513 1 13 . 1 1 44 44 ASN H H 44 9.542 9.542 9.217 0.325 25454 5514 1 13 . 1 1 45 45 GLU N N 45 118.210 118.210 118.805 -0.595 25454 5515 1 13 . 1 1 45 45 GLU HA H 45 4.088 4.088 4.055 0.033 25454 5516 1 13 . 1 1 45 45 GLU C C 45 179.010 179.010 178.665 0.345 25454 5517 1 13 . 1 1 45 45 GLU CA C 45 60.349 60.349 59.929 0.420 25454 5518 1 13 . 1 1 45 45 GLU CB C 45 28.908 28.908 29.516 -0.608 25454 5519 1 13 . 1 1 45 45 GLU H H 45 8.752 8.752 8.944 -0.192 25454 5520 1 13 . 1 1 46 46 THR N N 46 116.430 116.430 116.309 0.121 25454 5521 1 13 . 1 1 46 46 THR HA H 46 4.114 4.114 4.007 0.107 25454 5522 1 13 . 1 1 46 46 THR C C 46 176.994 176.994 176.049 0.945 25454 5523 1 13 . 1 1 46 46 THR CA C 46 66.260 66.260 67.234 -0.974 25454 5524 1 13 . 1 1 46 46 THR CB C 46 68.270 68.270 68.749 -0.479 25454 5525 1 13 . 1 1 46 46 THR H H 46 8.043 8.043 8.353 -0.310 25454 5526 1 13 . 1 1 47 47 ASP N N 47 124.380 124.380 122.830 1.550 25454 5527 1 13 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.499 -0.155 25454 5528 1 13 . 1 1 47 47 ASP C C 47 178.914 178.914 178.377 0.537 25454 5529 1 13 . 1 1 47 47 ASP CA C 47 58.630 58.630 57.597 1.033 25454 5530 1 13 . 1 1 47 47 ASP CB C 47 42.350 42.350 40.639 1.710 25454 5531 1 13 . 1 1 47 47 ASP H H 47 8.475 8.475 7.863 0.612 25454 5532 1 13 . 1 1 48 48 LEU N N 48 116.889 116.889 119.390 -2.501 25454 5533 1 13 . 1 1 48 48 LEU HA H 48 4.118 4.118 4.134 -0.016 25454 5534 1 13 . 1 1 48 48 LEU C C 48 175.839 175.839 179.156 -3.317 25454 5535 1 13 . 1 1 48 48 LEU CA C 48 57.432 57.432 57.838 -0.406 25454 5536 1 13 . 1 1 48 48 LEU CB C 48 41.430 41.430 41.840 -0.410 25454 5537 1 13 . 1 1 48 48 LEU H H 48 8.082 8.082 8.367 -0.285 25454 5538 1 13 . 1 1 49 49 THR N N 49 112.550 112.550 115.129 -2.579 25454 5539 1 13 . 1 1 49 49 THR HA H 49 4.310 4.310 4.126 0.184 25454 5540 1 13 . 1 1 49 49 THR C C 49 177.306 177.306 176.377 0.929 25454 5541 1 13 . 1 1 49 49 THR CA C 49 64.520 64.520 66.180 -1.660 25454 5542 1 13 . 1 1 49 49 THR CB C 49 69.525 69.525 68.956 0.570 25454 5543 1 13 . 1 1 49 49 THR H H 49 7.743 7.743 7.874 -0.131 25454 5544 1 13 . 1 1 50 50 GLN N N 50 121.570 121.570 120.499 1.071 25454 5545 1 13 . 1 1 50 50 GLN HA H 50 4.344 4.344 4.303 0.041 25454 5546 1 13 . 1 1 50 50 GLN C C 50 178.308 178.308 178.299 0.009 25454 5547 1 13 . 1 1 50 50 GLN CA C 50 58.630 58.630 57.515 1.115 25454 5548 1 13 . 1 1 50 50 GLN CB C 50 30.850 30.850 28.540 2.310 25454 5549 1 13 . 1 1 50 50 GLN H H 50 8.519 8.519 7.769 0.750 25454 5550 1 13 . 1 1 51 51 ILE N N 51 120.320 120.320 121.666 -1.346 25454 5551 1 13 . 1 1 51 51 ILE HA H 51 3.573 3.573 3.948 -0.375 25454 5552 1 13 . 1 1 51 51 ILE CA C 51 69.155 69.155 66.732 2.423 25454 5553 1 13 . 1 1 51 51 ILE CB C 51 35.659 35.659 35.416 0.243 25454 5554 1 13 . 1 1 51 51 ILE H H 51 8.663 8.663 8.953 -0.290 25454 5555 1 13 . 1 1 52 52 PRO HA H 52 4.301 4.301 4.275 0.026 25454 5556 1 13 . 1 1 52 52 PRO C C 52 179.686 179.686 178.712 0.974 25454 5557 1 13 . 1 1 52 52 PRO CA C 52 66.190 66.190 65.578 0.612 25454 5558 1 13 . 1 1 52 52 PRO CB C 52 31.270 31.270 31.276 -0.006 25454 5559 1 13 . 1 1 53 53 LYS N N 53 116.520 116.520 118.129 -1.609 25454 5560 1 13 . 1 1 53 53 LYS HA H 53 4.231 4.231 4.164 0.067 25454 5561 1 13 . 1 1 53 53 LYS C C 53 179.475 179.475 179.217 0.258 25454 5562 1 13 . 1 1 53 53 LYS CA C 53 59.017 59.017 58.603 0.414 25454 5563 1 13 . 1 1 53 53 LYS CB C 53 31.796 31.796 31.846 -0.050 25454 5564 1 13 . 1 1 53 53 LYS H H 53 7.016 7.016 7.494 -0.478 25454 5565 1 13 . 1 1 54 54 VAL N N 54 125.220 125.220 116.408 8.812 25454 5566 1 13 . 1 1 54 54 VAL HA H 54 3.022 3.022 3.940 -0.918 25454 5567 1 13 . 1 1 54 54 VAL C C 54 177.692 177.692 177.752 -0.060 25454 5568 1 13 . 1 1 54 54 VAL CA C 54 65.860 65.860 65.522 0.338 25454 5569 1 13 . 1 1 54 54 VAL CB C 54 30.623 30.623 31.184 -0.562 25454 5570 1 13 . 1 1 54 54 VAL H H 54 8.068 8.068 8.389 -0.321 25454 5571 1 13 . 1 1 55 55 ILE N N 55 119.943 119.943 121.916 -1.973 25454 5572 1 13 . 1 1 55 55 ILE HA H 55 3.641 3.641 4.012 -0.371 25454 5573 1 13 . 1 1 55 55 ILE C C 55 177.515 177.515 177.984 -0.469 25454 5574 1 13 . 1 1 55 55 ILE CA C 55 66.896 66.896 66.010 0.886 25454 5575 1 13 . 1 1 55 55 ILE CB C 55 38.500 38.500 37.818 0.682 25454 5576 1 13 . 1 1 55 55 ILE H H 55 7.589 7.589 7.384 0.205 25454 5577 1 13 . 1 1 56 56 GLU N N 56 118.310 118.310 120.615 -2.305 25454 5578 1 13 . 1 1 56 56 GLU HA H 56 4.010 4.010 3.992 0.018 25454 5579 1 13 . 1 1 56 56 GLU C C 56 178.518 178.518 179.179 -0.661 25454 5580 1 13 . 1 1 56 56 GLU CA C 56 59.603 59.603 59.908 -0.305 25454 5581 1 13 . 1 1 56 56 GLU CB C 56 29.776 29.776 29.646 0.130 25454 5582 1 13 . 1 1 56 56 GLU H H 56 7.794 7.794 8.064 -0.270 25454 5583 1 13 . 1 1 57 57 TYR N N 57 120.510 120.510 119.357 1.153 25454 5584 1 13 . 1 1 57 57 TYR HA H 57 4.239 4.239 4.256 -0.017 25454 5585 1 13 . 1 1 57 57 TYR C C 57 178.919 178.919 178.060 0.859 25454 5586 1 13 . 1 1 57 57 TYR CA C 57 61.600 61.600 61.235 0.365 25454 5587 1 13 . 1 1 57 57 TYR CB C 57 39.060 39.060 38.067 0.993 25454 5588 1 13 . 1 1 57 57 TYR H H 57 8.495 8.495 8.670 -0.175 25454 5589 1 13 . 1 1 58 58 CYS N N 58 117.760 117.760 117.439 0.321 25454 5590 1 13 . 1 1 58 58 CYS HA H 58 4.685 4.685 4.379 0.306 25454 5591 1 13 . 1 1 58 58 CYS C C 58 177.217 177.217 176.463 0.754 25454 5592 1 13 . 1 1 58 58 CYS CA C 58 52.020 52.020 61.320 -9.300 25454 5593 1 13 . 1 1 58 58 CYS CB C 58 31.667 31.667 27.114 4.553 25454 5594 1 13 . 1 1 58 58 CYS H H 58 8.672 8.672 7.768 0.904 25454 5595 1 13 . 1 1 59 59 LYS N N 59 120.550 120.550 119.679 0.871 25454 5596 1 13 . 1 1 59 59 LYS HA H 59 4.008 4.008 4.107 -0.099 25454 5597 1 13 . 1 1 59 59 LYS C C 59 179.247 179.247 178.406 0.841 25454 5598 1 13 . 1 1 59 59 LYS CA C 59 59.790 59.790 58.790 1.000 25454 5599 1 13 . 1 1 59 59 LYS CB C 59 32.800 32.800 31.991 0.809 25454 5600 1 13 . 1 1 59 59 LYS H H 59 8.481 8.481 8.272 0.209 25454 5601 1 13 . 1 1 60 60 LYS N N 60 116.830 116.830 117.850 -1.020 25454 5602 1 13 . 1 1 60 60 LYS HA H 60 4.166 4.166 4.212 -0.046 25454 5603 1 13 . 1 1 60 60 LYS C C 60 176.432 176.432 177.097 -0.665 25454 5604 1 13 . 1 1 60 60 LYS CA C 60 57.260 57.260 58.020 -0.760 25454 5605 1 13 . 1 1 60 60 LYS CB C 60 33.760 33.760 33.072 0.688 25454 5606 1 13 . 1 1 60 60 LYS H H 60 7.455 7.455 8.450 -0.995 25454 5607 1 13 . 1 1 61 61 ASN N N 61 117.140 117.140 116.890 0.250 25454 5608 1 13 . 1 1 61 61 ASN HA H 61 4.686 4.686 5.142 -0.456 25454 5609 1 13 . 1 1 61 61 ASN CA C 61 51.300 51.300 51.007 0.293 25454 5610 1 13 . 1 1 61 61 ASN CB C 61 40.208 40.208 38.429 1.779 25454 5611 1 13 . 1 1 61 61 ASN H H 61 7.368 7.368 7.661 -0.293 25454 5612 1 13 . 1 1 62 62 PRO HA H 62 4.227 4.227 4.385 -0.158 25454 5613 1 13 . 1 1 62 62 PRO C C 62 177.511 177.511 177.606 -0.095 25454 5614 1 13 . 1 1 62 62 PRO CA C 62 65.430 65.430 65.011 0.419 25454 5615 1 13 . 1 1 62 62 PRO CB C 62 31.800 31.800 32.043 -0.243 25454 5616 1 13 . 1 1 63 63 GLN N N 63 114.045 114.045 113.612 0.433 25454 5617 1 13 . 1 1 63 63 GLN HA H 63 4.450 4.450 4.208 0.242 25454 5618 1 13 . 1 1 63 63 GLN C C 63 177.766 177.766 175.975 1.791 25454 5619 1 13 . 1 1 63 63 GLN CA C 63 56.200 56.200 56.818 -0.618 25454 5620 1 13 . 1 1 63 63 GLN CB C 63 28.200 28.200 28.811 -0.611 25454 5621 1 13 . 1 1 63 63 GLN H H 63 8.578 8.578 8.294 0.284 25454 5622 1 13 . 1 1 64 64 LYS N N 64 119.960 119.960 120.452 -0.492 25454 5623 1 13 . 1 1 64 64 LYS HA H 64 4.452 4.452 4.237 0.215 25454 5624 1 13 . 1 1 64 64 LYS C C 64 176.151 176.151 175.352 0.799 25454 5625 1 13 . 1 1 64 64 LYS CA C 64 55.660 55.660 55.728 -0.068 25454 5626 1 13 . 1 1 64 64 LYS CB C 64 33.500 33.500 32.971 0.529 25454 5627 1 13 . 1 1 64 64 LYS H H 64 7.628 7.628 7.689 -0.061 25454 5628 1 13 . 1 1 65 65 ASN N N 65 120.139 120.139 118.741 1.398 25454 5629 1 13 . 1 1 65 65 ASN HA H 65 4.807 4.807 4.677 0.130 25454 5630 1 13 . 1 1 65 65 ASN CA C 65 54.070 54.070 52.600 1.470 25454 5631 1 13 . 1 1 65 65 ASN CB C 65 38.070 38.070 39.276 -1.206 25454 5632 1 13 . 1 1 65 65 ASN H H 65 8.936 8.936 8.550 0.386 25454 5633 1 13 . 1 1 66 66 LEU N N 66 129.960 129.960 129.953 0.007 25454 5634 1 13 . 1 1 66 66 LEU HA H 66 4.165 4.165 3.501 0.664 25454 5635 1 13 . 1 1 66 66 LEU C C 66 176.948 176.948 177.904 -0.956 25454 5636 1 13 . 1 1 66 66 LEU CA C 66 59.220 59.220 57.851 1.369 25454 5637 1 13 . 1 1 66 66 LEU CB C 66 42.830 42.830 42.008 0.822 25454 5638 1 13 . 1 1 66 66 LEU H H 66 8.939 8.939 8.887 0.052 25454 5639 1 13 . 1 1 67 67 TYR N N 67 115.770 115.770 116.150 -0.380 25454 5640 1 13 . 1 1 67 67 TYR HA H 67 4.077 4.077 4.235 -0.158 25454 5641 1 13 . 1 1 67 67 TYR C C 67 178.731 178.731 178.373 0.358 25454 5642 1 13 . 1 1 67 67 TYR CA C 67 61.277 61.277 58.466 2.811 25454 5643 1 13 . 1 1 67 67 TYR CB C 67 36.768 36.768 37.167 -0.399 25454 5644 1 13 . 1 1 67 67 TYR H H 67 9.409 9.409 7.845 1.564 25454 5645 1 13 . 1 1 68 68 THR N N 68 112.470 112.470 116.162 -3.692 25454 5646 1 13 . 1 1 68 68 THR HA H 68 4.268 4.268 4.014 0.254 25454 5647 1 13 . 1 1 68 68 THR C C 68 176.104 176.104 176.997 -0.893 25454 5648 1 13 . 1 1 68 68 THR CA C 68 64.650 64.650 66.155 -1.505 25454 5649 1 13 . 1 1 68 68 THR CB C 68 70.268 70.268 68.599 1.669 25454 5650 1 13 . 1 1 68 68 THR H H 68 8.076 8.076 8.315 -0.239 25454 5651 1 13 . 1 1 69 69 PHE N N 69 123.660 123.660 119.710 3.950 25454 5652 1 13 . 1 1 69 69 PHE HA H 69 2.811 2.811 4.557 -1.746 25454 5653 1 13 . 1 1 69 69 PHE C C 69 176.290 176.290 176.649 -0.359 25454 5654 1 13 . 1 1 69 69 PHE CA C 69 61.510 61.510 57.164 4.346 25454 5655 1 13 . 1 1 69 69 PHE CB C 69 39.610 39.610 37.779 1.831 25454 5656 1 13 . 1 1 69 69 PHE H H 69 7.969 7.969 8.281 -0.312 25454 5657 1 13 . 1 1 70 70 LYS N N 70 113.530 113.530 119.478 -5.948 25454 5658 1 13 . 1 1 70 70 LYS HA H 70 3.757 3.757 4.132 -0.375 25454 5659 1 13 . 1 1 70 70 LYS C C 70 176.269 176.269 178.191 -1.922 25454 5660 1 13 . 1 1 70 70 LYS CA C 70 57.840 57.840 57.682 0.158 25454 5661 1 13 . 1 1 70 70 LYS CB C 70 32.520 32.520 32.608 -0.088 25454 5662 1 13 . 1 1 70 70 LYS H H 70 6.957 6.957 7.855 -0.898 25454 5663 1 13 . 1 1 71 71 ASN N N 71 117.360 117.360 119.456 -2.096 25454 5664 1 13 . 1 1 71 71 ASN HA H 71 4.652 4.652 4.583 0.069 25454 5665 1 13 . 1 1 71 71 ASN C C 71 175.155 175.155 177.071 -1.916 25454 5666 1 13 . 1 1 71 71 ASN CA C 71 53.273 53.273 55.233 -1.960 25454 5667 1 13 . 1 1 71 71 ASN CB C 71 38.870 38.870 38.005 0.865 25454 5668 1 13 . 1 1 71 71 ASN H H 71 7.488 7.488 8.093 -0.605 25454 5669 1 13 . 1 1 72 72 GLN N N 72 119.610 119.610 117.774 1.836 25454 5670 1 13 . 1 1 72 72 GLN HA H 72 4.202 4.202 4.168 0.034 25454 5671 1 13 . 1 1 72 72 GLN C C 72 179.467 179.467 175.774 3.693 25454 5672 1 13 . 1 1 72 72 GLN CA C 72 56.160 56.160 57.115 -0.955 25454 5673 1 13 . 1 1 72 72 GLN CB C 72 29.460 29.460 28.765 0.695 25454 5674 1 13 . 1 1 72 72 GLN H H 72 7.611 7.611 8.240 -0.629 25454 5675 1 13 . 1 1 73 73 ALA N N 73 125.130 125.130 123.821 1.309 25454 5676 1 13 . 1 1 73 73 ALA HA H 73 4.198 4.198 4.543 -0.345 25454 5677 1 13 . 1 1 73 73 ALA C C 73 177.907 177.907 176.506 1.401 25454 5678 1 13 . 1 1 73 73 ALA CA C 73 52.761 52.761 50.886 1.875 25454 5679 1 13 . 1 1 73 73 ALA CB C 73 19.028 19.028 19.149 -0.121 25454 5680 1 13 . 1 1 73 73 ALA H H 73 8.072 8.072 7.397 0.675 25454 5681 1 13 . 1 1 74 74 SER N N 74 115.100 115.100 121.595 -6.495 25454 5682 1 13 . 1 1 74 74 SER HA H 74 4.344 4.344 4.369 -0.025 25454 5683 1 13 . 1 1 74 74 SER C C 74 174.562 174.562 173.980 0.582 25454 5684 1 13 . 1 1 74 74 SER CA C 74 58.640 58.640 57.923 0.717 25454 5685 1 13 . 1 1 74 74 SER CB C 74 63.660 63.660 62.517 1.143 25454 5686 1 13 . 1 1 74 74 SER H H 74 8.114 8.114 8.619 -0.505 25454 5687 1 13 . 1 1 75 75 ASN N N 75 120.950 120.950 122.508 -1.558 25454 5688 1 13 . 1 1 75 75 ASN HA H 75 4.698 4.698 4.678 0.020 25454 5689 1 13 . 1 1 75 75 ASN C C 75 174.790 174.790 176.109 -1.319 25454 5690 1 13 . 1 1 75 75 ASN CA C 75 53.340 53.340 53.200 0.140 25454 5691 1 13 . 1 1 75 75 ASN CB C 75 38.980 38.980 39.817 -0.837 25454 5692 1 13 . 1 1 75 75 ASN H H 75 8.283 8.283 7.774 0.509 25454 5693 1 13 . 1 1 76 76 ASP N N 76 120.550 120.550 120.874 -0.324 25454 5694 1 13 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.613 -0.010 25454 5695 1 13 . 1 1 76 76 ASP C C 76 175.588 175.588 175.952 -0.364 25454 5696 1 13 . 1 1 76 76 ASP CA C 76 53.940 53.940 54.130 -0.190 25454 5697 1 13 . 1 1 76 76 ASP CB C 76 40.510 40.510 39.959 0.551 25454 5698 1 13 . 1 1 76 76 ASP H H 76 8.201 8.201 8.743 -0.542 25454 5699 1 13 . 1 1 77 77 LEU N N 77 123.780 123.780 118.199 5.581 25454 5700 1 13 . 1 1 77 77 LEU HA H 77 4.600 4.600 4.124 0.476 25454 5701 1 13 . 1 1 77 77 LEU CA C 77 52.980 52.980 52.450 0.530 25454 5702 1 13 . 1 1 77 77 LEU CB C 77 41.850 41.850 40.642 1.208 25454 5703 1 13 . 1 1 77 77 LEU H H 77 8.021 8.021 7.449 0.572 25454 5704 1 13 . 1 1 78 78 PRO HA H 78 4.417 4.417 4.485 -0.068 25454 5705 1 13 . 1 1 78 78 PRO C C 78 176.058 176.058 175.830 0.228 25454 5706 1 13 . 1 1 78 78 PRO CA C 78 63.260 63.260 62.693 0.567 25454 5707 1 13 . 1 1 78 78 PRO CB C 78 31.956 31.956 32.856 -0.900 25454 5708 1 14 . 1 1 2 2 ASN N N 2 118.440 118.440 118.064 0.376 25454 5709 1 14 . 1 1 2 2 ASN HA H 2 4.660 4.660 4.584 0.076 25454 5710 1 14 . 1 1 2 2 ASN C C 2 174.884 174.884 175.279 -0.395 25454 5711 1 14 . 1 1 2 2 ASN CA C 2 53.730 53.730 53.325 0.405 25454 5712 1 14 . 1 1 2 2 ASN CB C 2 38.500 38.500 38.650 -0.150 25454 5713 1 14 . 1 1 2 2 ASN H H 2 8.869 8.869 8.463 0.406 25454 5714 1 14 . 1 1 3 3 GLU N N 3 121.390 121.390 119.767 1.623 25454 5715 1 14 . 1 1 3 3 GLU HA H 3 4.416 4.416 4.207 0.209 25454 5716 1 14 . 1 1 3 3 GLU C C 3 175.916 175.916 176.210 -0.294 25454 5717 1 14 . 1 1 3 3 GLU CA C 3 56.300 56.300 56.884 -0.584 25454 5718 1 14 . 1 1 3 3 GLU CB C 3 29.810 29.810 29.925 -0.115 25454 5719 1 14 . 1 1 3 3 GLU H H 3 8.560 8.560 8.479 0.081 25454 5720 1 14 . 1 1 4 4 SER N N 4 118.190 118.190 114.072 4.118 25454 5721 1 14 . 1 1 4 4 SER HA H 4 4.716 4.716 4.306 0.410 25454 5722 1 14 . 1 1 4 4 SER C C 4 175.686 175.686 174.612 1.074 25454 5723 1 14 . 1 1 4 4 SER CA C 4 57.890 57.890 57.470 0.420 25454 5724 1 14 . 1 1 4 4 SER CB C 4 65.080 65.080 62.972 2.107 25454 5725 1 14 . 1 1 4 4 SER H H 4 8.802 8.802 7.992 0.810 25454 5726 1 14 . 1 1 5 5 ALA N N 5 128.990 128.990 128.493 0.497 25454 5727 1 14 . 1 1 5 5 ALA HA H 5 4.142 4.142 4.145 -0.003 25454 5728 1 14 . 1 1 5 5 ALA C C 5 179.112 179.112 179.117 -0.005 25454 5729 1 14 . 1 1 5 5 ALA CA C 5 55.880 55.880 54.326 1.554 25454 5730 1 14 . 1 1 5 5 ALA CB C 5 18.110 18.110 19.086 -0.976 25454 5731 1 14 . 1 1 5 5 ALA H H 5 8.992 8.992 8.765 0.227 25454 5732 1 14 . 1 1 6 6 LYS N N 6 114.810 114.810 116.241 -1.431 25454 5733 1 14 . 1 1 6 6 LYS HA H 6 3.221 3.221 2.951 0.270 25454 5734 1 14 . 1 1 6 6 LYS C C 6 177.448 177.448 177.053 0.395 25454 5735 1 14 . 1 1 6 6 LYS CA C 6 57.740 57.740 58.484 -0.744 25454 5736 1 14 . 1 1 6 6 LYS CB C 6 31.830 31.830 31.894 -0.064 25454 5737 1 14 . 1 1 6 6 LYS H H 6 7.776 7.776 7.700 0.076 25454 5738 1 14 . 1 1 7 7 ASP N N 7 119.190 119.190 116.456 2.734 25454 5739 1 14 . 1 1 7 7 ASP HA H 7 4.748 4.748 4.776 -0.028 25454 5740 1 14 . 1 1 7 7 ASP C C 7 176.254 176.254 175.703 0.551 25454 5741 1 14 . 1 1 7 7 ASP CA C 7 53.800 53.800 53.032 0.768 25454 5742 1 14 . 1 1 7 7 ASP CB C 7 41.560 41.560 41.386 0.174 25454 5743 1 14 . 1 1 7 7 ASP H H 7 7.744 7.744 7.483 0.261 25454 5744 1 14 . 1 1 8 8 MET N N 8 122.540 122.540 120.681 1.859 25454 5745 1 14 . 1 1 8 8 MET HA H 8 4.502 4.502 4.547 -0.045 25454 5746 1 14 . 1 1 8 8 MET C C 8 176.932 176.932 176.347 0.585 25454 5747 1 14 . 1 1 8 8 MET CA C 8 56.390 56.390 56.490 -0.100 25454 5748 1 14 . 1 1 8 8 MET CB C 8 35.300 35.300 33.813 1.487 25454 5749 1 14 . 1 1 8 8 MET H H 8 7.925 7.925 7.288 0.637 25454 5750 1 14 . 1 1 9 9 THR N N 9 121.410 121.410 116.920 4.490 25454 5751 1 14 . 1 1 9 9 THR HA H 9 4.794 4.794 4.686 0.108 25454 5752 1 14 . 1 1 9 9 THR C C 9 176.198 176.198 175.779 0.419 25454 5753 1 14 . 1 1 9 9 THR CA C 9 61.960 61.960 61.555 0.405 25454 5754 1 14 . 1 1 9 9 THR CB C 9 72.200 72.200 70.446 1.754 25454 5755 1 14 . 1 1 9 9 THR H H 9 9.927 9.927 8.317 1.610 25454 5756 1 14 . 1 1 10 10 CYS N N 10 121.150 121.150 120.569 0.581 25454 5757 1 14 . 1 1 10 10 CYS HA H 10 4.685 4.685 4.433 0.252 25454 5758 1 14 . 1 1 10 10 CYS C C 10 177.324 177.324 177.110 0.214 25454 5759 1 14 . 1 1 10 10 CYS CA C 10 56.970 56.970 62.584 -5.614 25454 5760 1 14 . 1 1 10 10 CYS CB C 10 32.440 32.440 25.669 6.771 25454 5761 1 14 . 1 1 10 10 CYS H H 10 9.765 9.765 8.499 1.266 25454 5762 1 14 . 1 1 11 11 GLN N N 11 121.360 121.360 120.348 1.012 25454 5763 1 14 . 1 1 11 11 GLN HA H 11 3.894 3.894 4.106 -0.212 25454 5764 1 14 . 1 1 11 11 GLN C C 11 176.902 176.902 177.559 -0.657 25454 5765 1 14 . 1 1 11 11 GLN CA C 11 58.680 58.680 58.440 0.240 25454 5766 1 14 . 1 1 11 11 GLN CB C 11 28.900 28.900 28.354 0.546 25454 5767 1 14 . 1 1 11 11 GLN H H 11 8.583 8.583 7.993 0.590 25454 5768 1 14 . 1 1 12 12 GLU N N 12 117.090 117.090 119.163 -2.073 25454 5769 1 14 . 1 1 12 12 GLU HA H 12 3.983 3.983 4.147 -0.164 25454 5770 1 14 . 1 1 12 12 GLU C C 12 179.763 179.763 178.921 0.842 25454 5771 1 14 . 1 1 12 12 GLU CA C 12 59.528 59.528 58.075 1.453 25454 5772 1 14 . 1 1 12 12 GLU CB C 12 31.830 31.830 29.983 1.847 25454 5773 1 14 . 1 1 12 12 GLU H H 12 7.867 7.867 8.285 -0.418 25454 5774 1 14 . 1 1 13 13 PHE N N 13 119.630 119.630 122.042 -2.412 25454 5775 1 14 . 1 1 13 13 PHE HA H 13 4.269 4.269 4.250 0.019 25454 5776 1 14 . 1 1 13 13 PHE C C 13 176.432 176.432 178.007 -1.575 25454 5777 1 14 . 1 1 13 13 PHE CA C 13 61.150 61.150 61.237 -0.087 25454 5778 1 14 . 1 1 13 13 PHE CB C 13 39.520 39.520 39.526 -0.006 25454 5779 1 14 . 1 1 13 13 PHE H H 13 8.182 8.182 8.296 -0.114 25454 5780 1 14 . 1 1 14 14 ILE N N 14 114.180 114.180 114.201 -0.021 25454 5781 1 14 . 1 1 14 14 ILE HA H 14 3.761 3.761 3.763 -0.002 25454 5782 1 14 . 1 1 14 14 ILE C C 14 177.089 177.089 175.961 1.128 25454 5783 1 14 . 1 1 14 14 ILE CA C 14 63.030 63.030 63.126 -0.096 25454 5784 1 14 . 1 1 14 14 ILE CB C 14 36.740 36.740 37.225 -0.485 25454 5785 1 14 . 1 1 14 14 ILE H H 14 8.191 8.191 8.000 0.191 25454 5786 1 14 . 1 1 15 15 ASP N N 15 120.260 120.260 119.246 1.014 25454 5787 1 14 . 1 1 15 15 ASP HA H 15 4.716 4.716 4.647 0.069 25454 5788 1 14 . 1 1 15 15 ASP C C 15 174.697 174.697 176.589 -1.892 25454 5789 1 14 . 1 1 15 15 ASP CA C 15 54.080 54.080 53.779 0.301 25454 5790 1 14 . 1 1 15 15 ASP CB C 15 40.810 40.810 42.662 -1.852 25454 5791 1 14 . 1 1 15 15 ASP H H 15 7.478 7.478 7.617 -0.139 25454 5792 1 14 . 1 1 16 16 LEU N N 16 122.985 122.985 119.374 3.611 25454 5793 1 14 . 1 1 16 16 LEU HA H 16 4.067 4.067 4.290 -0.223 25454 5794 1 14 . 1 1 16 16 LEU C C 16 176.710 176.710 176.243 0.467 25454 5795 1 14 . 1 1 16 16 LEU CA C 16 55.028 55.028 55.164 -0.136 25454 5796 1 14 . 1 1 16 16 LEU CB C 16 43.370 43.370 42.607 0.763 25454 5797 1 14 . 1 1 16 16 LEU H H 16 7.226 7.226 7.294 -0.068 25454 5798 1 14 . 1 1 17 17 ASN N N 17 119.620 119.620 119.072 0.548 25454 5799 1 14 . 1 1 17 17 ASN HA H 17 4.634 4.634 4.783 -0.149 25454 5800 1 14 . 1 1 17 17 ASN CA C 17 52.048 52.048 51.271 0.777 25454 5801 1 14 . 1 1 17 17 ASN CB C 17 39.480 39.480 38.564 0.916 25454 5802 1 14 . 1 1 17 17 ASN H H 17 7.265 7.265 8.391 -1.126 25454 5803 1 14 . 1 1 18 18 PRO HA H 18 4.137 4.137 4.142 -0.005 25454 5804 1 14 . 1 1 18 18 PRO C C 18 179.247 179.247 177.938 1.309 25454 5805 1 14 . 1 1 18 18 PRO CA C 18 65.370 65.370 64.532 0.838 25454 5806 1 14 . 1 1 18 18 PRO CB C 18 32.610 32.610 31.926 0.684 25454 5807 1 14 . 1 1 19 19 LYS N N 19 116.450 116.450 118.927 -2.477 25454 5808 1 14 . 1 1 19 19 LYS HA H 19 3.856 3.856 3.973 -0.117 25454 5809 1 14 . 1 1 19 19 LYS C C 19 176.995 176.995 178.971 -1.976 25454 5810 1 14 . 1 1 19 19 LYS CA C 19 59.080 59.080 59.676 -0.596 25454 5811 1 14 . 1 1 19 19 LYS CB C 19 34.940 34.940 31.962 2.978 25454 5812 1 14 . 1 1 19 19 LYS H H 19 8.445 8.445 8.870 -0.425 25454 5813 1 14 . 1 1 20 20 ALA N N 20 116.170 116.170 121.228 -5.058 25454 5814 1 14 . 1 1 20 20 ALA HA H 20 4.255 4.255 4.348 -0.093 25454 5815 1 14 . 1 1 20 20 ALA C C 20 177.511 177.511 179.602 -2.091 25454 5816 1 14 . 1 1 20 20 ALA CA C 20 51.640 51.640 54.096 -2.456 25454 5817 1 14 . 1 1 20 20 ALA CB C 20 21.660 21.660 18.085 3.575 25454 5818 1 14 . 1 1 20 20 ALA H H 20 8.400 8.400 7.726 0.674 25454 5819 1 14 . 1 1 21 21 MET N N 21 117.850 117.850 118.338 -0.488 25454 5820 1 14 . 1 1 21 21 MET HA H 21 3.645 3.645 4.053 -0.408 25454 5821 1 14 . 1 1 21 21 MET C C 21 177.511 177.511 178.024 -0.513 25454 5822 1 14 . 1 1 21 21 MET CA C 21 61.418 61.418 59.952 1.466 25454 5823 1 14 . 1 1 21 21 MET CB C 21 33.220 33.220 32.299 0.921 25454 5824 1 14 . 1 1 21 21 MET H H 21 7.206 7.206 8.069 -0.863 25454 5825 1 14 . 1 1 22 22 THR N N 22 114.690 114.690 115.339 -0.649 25454 5826 1 14 . 1 1 22 22 THR HA H 22 4.115 4.115 4.363 -0.248 25454 5827 1 14 . 1 1 22 22 THR CA C 22 69.550 69.550 68.444 1.106 25454 5828 1 14 . 1 1 22 22 THR CB C 22 65.700 65.700 66.383 -0.683 25454 5829 1 14 . 1 1 22 22 THR H H 22 8.695 8.695 7.766 0.929 25454 5830 1 14 . 1 1 23 23 PRO HA H 23 3.550 3.550 4.401 -0.851 25454 5831 1 14 . 1 1 23 23 PRO C C 23 178.637 178.637 179.168 -0.531 25454 5832 1 14 . 1 1 23 23 PRO CA C 23 65.770 65.770 65.975 -0.205 25454 5833 1 14 . 1 1 23 23 PRO CB C 23 31.182 31.182 31.169 0.013 25454 5834 1 14 . 1 1 24 24 VAL N N 24 115.820 115.820 119.861 -4.041 25454 5835 1 14 . 1 1 24 24 VAL HA H 24 3.675 3.675 3.951 -0.276 25454 5836 1 14 . 1 1 24 24 VAL C C 24 177.464 177.464 178.567 -1.103 25454 5837 1 14 . 1 1 24 24 VAL CA C 24 67.490 67.490 66.590 0.900 25454 5838 1 14 . 1 1 24 24 VAL CB C 24 31.970 31.970 31.209 0.761 25454 5839 1 14 . 1 1 24 24 VAL H H 24 7.441 7.441 8.008 -0.567 25454 5840 1 14 . 1 1 25 25 ALA N N 25 122.670 122.670 122.707 -0.037 25454 5841 1 14 . 1 1 25 25 ALA HA H 25 3.783 3.783 4.042 -0.259 25454 5842 1 14 . 1 1 25 25 ALA C C 25 178.497 178.497 179.292 -0.795 25454 5843 1 14 . 1 1 25 25 ALA CA C 25 55.620 55.620 55.267 0.353 25454 5844 1 14 . 1 1 25 25 ALA CB C 25 18.852 18.852 18.545 0.307 25454 5845 1 14 . 1 1 25 25 ALA H H 25 8.805 8.805 8.624 0.181 25454 5846 1 14 . 1 1 26 26 TRP N N 26 118.270 118.270 121.516 -3.246 25454 5847 1 14 . 1 1 26 26 TRP HA H 26 3.709 3.709 4.467 -0.758 25454 5848 1 14 . 1 1 26 26 TRP C C 26 178.309 178.309 177.570 0.739 25454 5849 1 14 . 1 1 26 26 TRP CA C 26 63.940 63.940 61.644 2.296 25454 5850 1 14 . 1 1 26 26 TRP CB C 26 29.740 29.740 29.705 0.035 25454 5851 1 14 . 1 1 26 26 TRP H H 26 9.181 9.181 8.586 0.595 25454 5852 1 14 . 1 1 27 27 TRP N N 27 119.740 119.740 121.231 -1.491 25454 5853 1 14 . 1 1 27 27 TRP HA H 27 4.118 4.118 3.443 0.675 25454 5854 1 14 . 1 1 27 27 TRP C C 27 177.511 177.511 177.670 -0.159 25454 5855 1 14 . 1 1 27 27 TRP CA C 27 60.588 60.588 58.427 2.161 25454 5856 1 14 . 1 1 27 27 TRP CB C 27 30.021 30.021 29.208 0.813 25454 5857 1 14 . 1 1 27 27 TRP H H 27 8.527 8.527 8.882 -0.355 25454 5858 1 14 . 1 1 28 28 MET N N 28 119.130 119.130 118.635 0.495 25454 5859 1 14 . 1 1 28 28 MET HA H 28 3.618 3.618 3.299 0.319 25454 5860 1 14 . 1 1 28 28 MET C C 28 177.587 177.587 177.634 -0.047 25454 5861 1 14 . 1 1 28 28 MET CA C 28 58.540 58.540 58.050 0.490 25454 5862 1 14 . 1 1 28 28 MET CB C 28 29.392 29.392 31.408 -2.016 25454 5863 1 14 . 1 1 28 28 MET H H 28 7.756 7.756 7.673 0.083 25454 5864 1 14 . 1 1 29 29 LEU N N 29 117.820 117.820 116.182 1.638 25454 5865 1 14 . 1 1 29 29 LEU HA H 29 3.559 3.559 3.910 -0.351 25454 5866 1 14 . 1 1 29 29 LEU C C 29 179.417 179.417 177.937 1.480 25454 5867 1 14 . 1 1 29 29 LEU CA C 29 57.043 57.043 56.986 0.057 25454 5868 1 14 . 1 1 29 29 LEU CB C 29 42.676 42.676 42.150 0.526 25454 5869 1 14 . 1 1 29 29 LEU H H 29 7.838 7.838 7.266 0.572 25454 5870 1 14 . 1 1 30 30 HIS N N 30 113.790 113.790 116.536 -2.746 25454 5871 1 14 . 1 1 30 30 HIS HA H 30 4.059 4.059 4.760 -0.701 25454 5872 1 14 . 1 1 30 30 HIS C C 30 176.289 176.289 174.013 2.276 25454 5873 1 14 . 1 1 30 30 HIS CA C 30 56.030 56.030 54.245 1.785 25454 5874 1 14 . 1 1 30 30 HIS CB C 30 29.216 29.216 28.970 0.246 25454 5875 1 14 . 1 1 30 30 HIS H H 30 7.757 7.757 7.967 -0.210 25454 5876 1 14 . 1 1 31 31 GLU N N 31 125.870 125.870 124.250 1.620 25454 5877 1 14 . 1 1 31 31 GLU HA H 31 4.450 4.450 4.222 0.228 25454 5878 1 14 . 1 1 31 31 GLU C C 31 176.775 176.775 176.958 -0.183 25454 5879 1 14 . 1 1 31 31 GLU CA C 31 56.160 56.160 56.550 -0.390 25454 5880 1 14 . 1 1 31 31 GLU CB C 31 28.386 28.386 30.913 -2.527 25454 5881 1 14 . 1 1 31 31 GLU H H 31 8.916 8.916 8.239 0.677 25454 5882 1 14 . 1 1 32 32 GLU N N 32 116.185 116.185 123.680 -7.495 25454 5883 1 14 . 1 1 32 32 GLU HA H 32 3.563 3.563 4.266 -0.703 25454 5884 1 14 . 1 1 32 32 GLU C C 32 174.994 174.994 177.682 -2.688 25454 5885 1 14 . 1 1 32 32 GLU CA C 32 58.090 58.090 57.773 0.317 25454 5886 1 14 . 1 1 32 32 GLU CB C 32 26.783 26.783 28.810 -2.027 25454 5887 1 14 . 1 1 32 32 GLU H H 32 9.330 9.330 8.658 0.672 25454 5888 1 14 . 1 1 33 33 THR N N 33 110.202 110.202 116.411 -6.209 25454 5889 1 14 . 1 1 33 33 THR HA H 33 4.696 4.696 4.211 0.485 25454 5890 1 14 . 1 1 33 33 THR C C 33 173.529 173.529 174.206 -0.677 25454 5891 1 14 . 1 1 33 33 THR CA C 33 60.129 60.129 62.406 -2.277 25454 5892 1 14 . 1 1 33 33 THR CB C 33 71.864 71.864 67.685 4.179 25454 5893 1 14 . 1 1 33 33 THR H H 33 7.620 7.620 8.019 -0.399 25454 5894 1 14 . 1 1 34 34 VAL N N 34 121.967 121.967 120.357 1.610 25454 5895 1 14 . 1 1 34 34 VAL HA H 34 4.139 4.139 3.775 0.364 25454 5896 1 14 . 1 1 34 34 VAL C C 34 172.579 172.579 174.424 -1.845 25454 5897 1 14 . 1 1 34 34 VAL CA C 34 63.032 63.032 62.792 0.240 25454 5898 1 14 . 1 1 34 34 VAL CB C 34 32.594 32.594 32.041 0.553 25454 5899 1 14 . 1 1 34 34 VAL H H 34 8.308 8.308 7.633 0.675 25454 5900 1 14 . 1 1 35 35 TYR N N 35 129.550 129.550 126.095 3.455 25454 5901 1 14 . 1 1 35 35 TYR HA H 35 4.562 4.562 4.566 -0.004 25454 5902 1 14 . 1 1 35 35 TYR CA C 35 58.660 58.660 58.739 -0.079 25454 5903 1 14 . 1 1 35 35 TYR CB C 35 39.520 39.520 39.800 -0.280 25454 5904 1 14 . 1 1 35 35 TYR H H 35 8.610 8.610 8.562 0.048 25454 5905 1 14 . 1 1 36 36 LYS N N 36 129.360 129.360 120.469 8.891 25454 5906 1 14 . 1 1 36 36 LYS HA H 36 4.411 4.411 4.552 -0.141 25454 5907 1 14 . 1 1 36 36 LYS CA C 36 55.626 55.626 55.844 -0.218 25454 5908 1 14 . 1 1 36 36 LYS CB C 36 32.790 32.790 34.233 -1.443 25454 5909 1 14 . 1 1 36 36 LYS H H 36 8.509 8.509 8.395 0.114 25454 5910 1 14 . 1 1 37 37 GLY N N 37 109.150 109.150 112.667 -3.517 25454 5911 1 14 . 1 1 37 37 GLY C C 37 174.428 174.428 174.707 -0.279 25454 5912 1 14 . 1 1 37 37 GLY CA C 37 46.427 46.427 45.569 0.858 25454 5913 1 14 . 1 1 37 37 GLY H H 37 6.819 6.819 8.930 -2.111 25454 5914 1 14 . 1 1 38 38 GLY N N 38 110.780 110.780 109.038 1.742 25454 5915 1 14 . 1 1 38 38 GLY C C 38 174.108 174.108 173.859 0.249 25454 5916 1 14 . 1 1 38 38 GLY CA C 38 44.972 44.972 44.429 0.543 25454 5917 1 14 . 1 1 38 38 GLY H H 38 8.365 8.365 8.087 0.278 25454 5918 1 14 . 1 1 39 39 ASP N N 39 120.800 120.800 117.656 3.144 25454 5919 1 14 . 1 1 39 39 ASP HA H 39 4.789 4.789 4.213 0.576 25454 5920 1 14 . 1 1 39 39 ASP C C 39 177.820 177.820 177.204 0.616 25454 5921 1 14 . 1 1 39 39 ASP CA C 39 55.340 55.340 56.589 -1.249 25454 5922 1 14 . 1 1 39 39 ASP CB C 39 41.150 41.150 40.497 0.653 25454 5923 1 14 . 1 1 39 39 ASP H H 39 8.476 8.476 8.574 -0.098 25454 5924 1 14 . 1 1 40 40 THR N N 40 111.201 111.201 115.214 -4.013 25454 5925 1 14 . 1 1 40 40 THR HA H 40 3.753 3.753 4.269 -0.516 25454 5926 1 14 . 1 1 40 40 THR C C 40 175.526 175.526 175.418 0.108 25454 5927 1 14 . 1 1 40 40 THR CA C 40 60.300 60.300 63.998 -3.699 25454 5928 1 14 . 1 1 40 40 THR CB C 40 71.278 71.278 69.110 2.168 25454 5929 1 14 . 1 1 40 40 THR H H 40 8.132 8.132 8.259 -0.127 25454 5930 1 14 . 1 1 41 41 VAL N N 41 125.014 125.014 115.980 9.034 25454 5931 1 14 . 1 1 41 41 VAL HA H 41 3.831 3.831 3.659 0.172 25454 5932 1 14 . 1 1 41 41 VAL C C 41 174.100 174.100 176.083 -1.983 25454 5933 1 14 . 1 1 41 41 VAL CA C 41 63.988 63.988 62.501 1.487 25454 5934 1 14 . 1 1 41 41 VAL CB C 41 30.465 30.465 30.353 0.112 25454 5935 1 14 . 1 1 41 41 VAL H H 41 8.278 8.278 7.432 0.846 25454 5936 1 14 . 1 1 42 42 THR N N 42 121.970 121.970 113.684 8.286 25454 5937 1 14 . 1 1 42 42 THR HA H 42 4.603 4.603 3.930 0.673 25454 5938 1 14 . 1 1 42 42 THR C C 42 172.978 172.978 174.633 -1.655 25454 5939 1 14 . 1 1 42 42 THR CA C 42 60.166 60.166 62.262 -2.096 25454 5940 1 14 . 1 1 42 42 THR CB C 42 70.588 70.588 69.419 1.169 25454 5941 1 14 . 1 1 42 42 THR H H 42 7.849 7.849 7.310 0.539 25454 5942 1 14 . 1 1 43 43 LEU N N 43 122.979 122.979 122.931 0.048 25454 5943 1 14 . 1 1 43 43 LEU HA H 43 5.041 5.041 4.319 0.722 25454 5944 1 14 . 1 1 43 43 LEU CA C 43 55.072 55.072 54.780 0.292 25454 5945 1 14 . 1 1 43 43 LEU CB C 43 42.661 42.661 40.891 1.770 25454 5946 1 14 . 1 1 43 43 LEU H H 43 8.310 8.310 8.418 -0.108 25454 5947 1 14 . 1 1 44 44 ASN N N 44 124.579 124.579 123.387 1.192 25454 5948 1 14 . 1 1 44 44 ASN HA H 44 5.135 5.135 4.762 0.373 25454 5949 1 14 . 1 1 44 44 ASN C C 44 175.736 175.736 175.939 -0.203 25454 5950 1 14 . 1 1 44 44 ASN CA C 44 50.814 50.814 53.318 -2.504 25454 5951 1 14 . 1 1 44 44 ASN CB C 44 40.280 40.280 39.631 0.649 25454 5952 1 14 . 1 1 44 44 ASN H H 44 9.542 9.542 8.739 0.803 25454 5953 1 14 . 1 1 45 45 GLU N N 45 118.210 118.210 121.273 -3.063 25454 5954 1 14 . 1 1 45 45 GLU HA H 45 4.088 4.088 4.098 -0.010 25454 5955 1 14 . 1 1 45 45 GLU C C 45 179.010 179.010 178.623 0.387 25454 5956 1 14 . 1 1 45 45 GLU CA C 45 60.349 60.349 60.141 0.208 25454 5957 1 14 . 1 1 45 45 GLU CB C 45 28.908 28.908 29.419 -0.511 25454 5958 1 14 . 1 1 45 45 GLU H H 45 8.752 8.752 9.071 -0.319 25454 5959 1 14 . 1 1 46 46 THR N N 46 116.430 116.430 115.690 0.740 25454 5960 1 14 . 1 1 46 46 THR HA H 46 4.114 4.114 3.999 0.115 25454 5961 1 14 . 1 1 46 46 THR C C 46 176.994 176.994 176.134 0.860 25454 5962 1 14 . 1 1 46 46 THR CA C 46 66.260 66.260 66.760 -0.500 25454 5963 1 14 . 1 1 46 46 THR CB C 46 68.270 68.270 68.456 -0.186 25454 5964 1 14 . 1 1 46 46 THR H H 46 8.043 8.043 8.340 -0.297 25454 5965 1 14 . 1 1 47 47 ASP N N 47 124.380 124.380 122.833 1.547 25454 5966 1 14 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.538 -0.194 25454 5967 1 14 . 1 1 47 47 ASP C C 47 178.914 178.914 178.544 0.370 25454 5968 1 14 . 1 1 47 47 ASP CA C 47 58.630 58.630 57.357 1.273 25454 5969 1 14 . 1 1 47 47 ASP CB C 47 42.350 42.350 40.595 1.755 25454 5970 1 14 . 1 1 47 47 ASP H H 47 8.475 8.475 7.755 0.720 25454 5971 1 14 . 1 1 48 48 LEU N N 48 116.889 116.889 119.688 -2.799 25454 5972 1 14 . 1 1 48 48 LEU HA H 48 4.118 4.118 4.135 -0.017 25454 5973 1 14 . 1 1 48 48 LEU C C 48 175.839 175.839 179.152 -3.313 25454 5974 1 14 . 1 1 48 48 LEU CA C 48 57.432 57.432 58.056 -0.624 25454 5975 1 14 . 1 1 48 48 LEU CB C 48 41.430 41.430 41.756 -0.326 25454 5976 1 14 . 1 1 48 48 LEU H H 48 8.082 8.082 8.609 -0.527 25454 5977 1 14 . 1 1 49 49 THR N N 49 112.550 112.550 115.034 -2.484 25454 5978 1 14 . 1 1 49 49 THR HA H 49 4.310 4.310 4.211 0.099 25454 5979 1 14 . 1 1 49 49 THR C C 49 177.306 177.306 176.536 0.770 25454 5980 1 14 . 1 1 49 49 THR CA C 49 64.520 64.520 65.810 -1.290 25454 5981 1 14 . 1 1 49 49 THR CB C 49 69.525 69.525 68.900 0.625 25454 5982 1 14 . 1 1 49 49 THR H H 49 7.743 7.743 7.848 -0.105 25454 5983 1 14 . 1 1 50 50 GLN N N 50 121.570 121.570 120.951 0.619 25454 5984 1 14 . 1 1 50 50 GLN HA H 50 4.344 4.344 4.268 0.076 25454 5985 1 14 . 1 1 50 50 GLN C C 50 178.308 178.308 178.361 -0.053 25454 5986 1 14 . 1 1 50 50 GLN CA C 50 58.630 58.630 57.681 0.949 25454 5987 1 14 . 1 1 50 50 GLN CB C 50 30.850 30.850 28.405 2.445 25454 5988 1 14 . 1 1 50 50 GLN H H 50 8.519 8.519 8.089 0.430 25454 5989 1 14 . 1 1 51 51 ILE N N 51 120.320 120.320 121.155 -0.835 25454 5990 1 14 . 1 1 51 51 ILE HA H 51 3.573 3.573 3.930 -0.357 25454 5991 1 14 . 1 1 51 51 ILE CA C 51 69.155 69.155 65.946 3.209 25454 5992 1 14 . 1 1 51 51 ILE CB C 51 35.659 35.659 35.665 -0.006 25454 5993 1 14 . 1 1 51 51 ILE H H 51 8.663 8.663 8.800 -0.137 25454 5994 1 14 . 1 1 52 52 PRO HA H 52 4.301 4.301 4.437 -0.136 25454 5995 1 14 . 1 1 52 52 PRO C C 52 179.686 179.686 178.643 1.043 25454 5996 1 14 . 1 1 52 52 PRO CA C 52 66.190 66.190 65.372 0.818 25454 5997 1 14 . 1 1 52 52 PRO CB C 52 31.270 31.270 31.349 -0.080 25454 5998 1 14 . 1 1 53 53 LYS N N 53 116.520 116.520 118.532 -2.012 25454 5999 1 14 . 1 1 53 53 LYS HA H 53 4.231 4.231 4.211 0.020 25454 6000 1 14 . 1 1 53 53 LYS C C 53 179.475 179.475 179.110 0.365 25454 6001 1 14 . 1 1 53 53 LYS CA C 53 59.017 59.017 58.602 0.415 25454 6002 1 14 . 1 1 53 53 LYS CB C 53 31.796 31.796 31.964 -0.168 25454 6003 1 14 . 1 1 53 53 LYS H H 53 7.016 7.016 7.478 -0.462 25454 6004 1 14 . 1 1 54 54 VAL N N 54 125.220 125.220 114.677 10.543 25454 6005 1 14 . 1 1 54 54 VAL HA H 54 3.022 3.022 4.022 -1.000 25454 6006 1 14 . 1 1 54 54 VAL C C 54 177.692 177.692 177.378 0.314 25454 6007 1 14 . 1 1 54 54 VAL CA C 54 65.860 65.860 65.284 0.576 25454 6008 1 14 . 1 1 54 54 VAL CB C 54 30.623 30.623 31.561 -0.938 25454 6009 1 14 . 1 1 54 54 VAL H H 54 8.068 8.068 8.263 -0.195 25454 6010 1 14 . 1 1 55 55 ILE N N 55 119.943 119.943 120.761 -0.818 25454 6011 1 14 . 1 1 55 55 ILE HA H 55 3.641 3.641 4.213 -0.572 25454 6012 1 14 . 1 1 55 55 ILE C C 55 177.515 177.515 177.887 -0.372 25454 6013 1 14 . 1 1 55 55 ILE CA C 55 66.896 66.896 64.868 2.028 25454 6014 1 14 . 1 1 55 55 ILE CB C 55 38.500 38.500 38.407 0.093 25454 6015 1 14 . 1 1 55 55 ILE H H 55 7.589 7.589 7.515 0.074 25454 6016 1 14 . 1 1 56 56 GLU N N 56 118.310 118.310 121.039 -2.729 25454 6017 1 14 . 1 1 56 56 GLU HA H 56 4.010 4.010 4.003 0.007 25454 6018 1 14 . 1 1 56 56 GLU C C 56 178.518 178.518 179.177 -0.659 25454 6019 1 14 . 1 1 56 56 GLU CA C 56 59.603 59.603 59.936 -0.333 25454 6020 1 14 . 1 1 56 56 GLU CB C 56 29.776 29.776 29.684 0.092 25454 6021 1 14 . 1 1 56 56 GLU H H 56 7.794 7.794 8.138 -0.344 25454 6022 1 14 . 1 1 57 57 TYR N N 57 120.510 120.510 119.110 1.400 25454 6023 1 14 . 1 1 57 57 TYR HA H 57 4.239 4.239 4.258 -0.019 25454 6024 1 14 . 1 1 57 57 TYR C C 57 178.919 178.919 177.950 0.969 25454 6025 1 14 . 1 1 57 57 TYR CA C 57 61.600 61.600 61.059 0.541 25454 6026 1 14 . 1 1 57 57 TYR CB C 57 39.060 39.060 38.074 0.986 25454 6027 1 14 . 1 1 57 57 TYR H H 57 8.495 8.495 8.703 -0.208 25454 6028 1 14 . 1 1 58 58 CYS N N 58 117.760 117.760 117.722 0.038 25454 6029 1 14 . 1 1 58 58 CYS HA H 58 4.685 4.685 4.382 0.303 25454 6030 1 14 . 1 1 58 58 CYS C C 58 177.217 177.217 176.267 0.950 25454 6031 1 14 . 1 1 58 58 CYS CA C 58 52.020 52.020 61.223 -9.203 25454 6032 1 14 . 1 1 58 58 CYS CB C 58 31.667 31.667 27.182 4.485 25454 6033 1 14 . 1 1 58 58 CYS H H 58 8.672 8.672 7.942 0.730 25454 6034 1 14 . 1 1 59 59 LYS N N 59 120.550 120.550 119.836 0.714 25454 6035 1 14 . 1 1 59 59 LYS HA H 59 4.008 4.008 4.093 -0.085 25454 6036 1 14 . 1 1 59 59 LYS C C 59 179.247 179.247 178.416 0.831 25454 6037 1 14 . 1 1 59 59 LYS CA C 59 59.790 59.790 58.828 0.962 25454 6038 1 14 . 1 1 59 59 LYS CB C 59 32.800 32.800 31.961 0.839 25454 6039 1 14 . 1 1 59 59 LYS H H 59 8.481 8.481 8.362 0.119 25454 6040 1 14 . 1 1 60 60 LYS N N 60 116.830 116.830 117.824 -0.994 25454 6041 1 14 . 1 1 60 60 LYS HA H 60 4.166 4.166 4.213 -0.047 25454 6042 1 14 . 1 1 60 60 LYS C C 60 176.432 176.432 177.165 -0.733 25454 6043 1 14 . 1 1 60 60 LYS CA C 60 57.260 57.260 58.019 -0.759 25454 6044 1 14 . 1 1 60 60 LYS CB C 60 33.760 33.760 33.068 0.692 25454 6045 1 14 . 1 1 60 60 LYS H H 60 7.455 7.455 8.378 -0.923 25454 6046 1 14 . 1 1 61 61 ASN N N 61 117.140 117.140 116.127 1.013 25454 6047 1 14 . 1 1 61 61 ASN HA H 61 4.686 4.686 5.333 -0.647 25454 6048 1 14 . 1 1 61 61 ASN CA C 61 51.300 51.300 50.914 0.386 25454 6049 1 14 . 1 1 61 61 ASN CB C 61 40.208 40.208 39.110 1.098 25454 6050 1 14 . 1 1 61 61 ASN H H 61 7.368 7.368 7.726 -0.358 25454 6051 1 14 . 1 1 62 62 PRO HA H 62 4.227 4.227 4.475 -0.248 25454 6052 1 14 . 1 1 62 62 PRO C C 62 177.511 177.511 177.946 -0.435 25454 6053 1 14 . 1 1 62 62 PRO CA C 62 65.430 65.430 65.071 0.359 25454 6054 1 14 . 1 1 62 62 PRO CB C 62 31.800 31.800 32.178 -0.378 25454 6055 1 14 . 1 1 63 63 GLN N N 63 114.045 114.045 117.209 -3.164 25454 6056 1 14 . 1 1 63 63 GLN HA H 63 4.450 4.450 4.270 0.180 25454 6057 1 14 . 1 1 63 63 GLN C C 63 177.766 177.766 176.509 1.257 25454 6058 1 14 . 1 1 63 63 GLN CA C 63 56.200 56.200 57.005 -0.805 25454 6059 1 14 . 1 1 63 63 GLN CB C 63 28.200 28.200 28.120 0.080 25454 6060 1 14 . 1 1 63 63 GLN H H 63 8.578 8.578 8.355 0.223 25454 6061 1 14 . 1 1 64 64 LYS N N 64 119.960 119.960 120.043 -0.083 25454 6062 1 14 . 1 1 64 64 LYS HA H 64 4.452 4.452 4.266 0.186 25454 6063 1 14 . 1 1 64 64 LYS C C 64 176.151 176.151 175.438 0.713 25454 6064 1 14 . 1 1 64 64 LYS CA C 64 55.660 55.660 55.665 -0.005 25454 6065 1 14 . 1 1 64 64 LYS CB C 64 33.500 33.500 33.089 0.411 25454 6066 1 14 . 1 1 64 64 LYS H H 64 7.628 7.628 7.740 -0.112 25454 6067 1 14 . 1 1 65 65 ASN N N 65 120.139 120.139 117.504 2.635 25454 6068 1 14 . 1 1 65 65 ASN HA H 65 4.807 4.807 4.679 0.128 25454 6069 1 14 . 1 1 65 65 ASN CA C 65 54.070 54.070 52.804 1.266 25454 6070 1 14 . 1 1 65 65 ASN CB C 65 38.070 38.070 39.825 -1.755 25454 6071 1 14 . 1 1 65 65 ASN H H 65 8.936 8.936 8.497 0.439 25454 6072 1 14 . 1 1 66 66 LEU N N 66 129.960 129.960 128.083 1.877 25454 6073 1 14 . 1 1 66 66 LEU HA H 66 4.165 4.165 3.658 0.507 25454 6074 1 14 . 1 1 66 66 LEU C C 66 176.948 176.948 177.642 -0.694 25454 6075 1 14 . 1 1 66 66 LEU CA C 66 59.220 59.220 57.275 1.945 25454 6076 1 14 . 1 1 66 66 LEU CB C 66 42.830 42.830 42.107 0.723 25454 6077 1 14 . 1 1 66 66 LEU H H 66 8.939 8.939 8.781 0.158 25454 6078 1 14 . 1 1 67 67 TYR N N 67 115.770 115.770 116.124 -0.354 25454 6079 1 14 . 1 1 67 67 TYR HA H 67 4.077 4.077 4.330 -0.253 25454 6080 1 14 . 1 1 67 67 TYR C C 67 178.731 178.731 177.954 0.777 25454 6081 1 14 . 1 1 67 67 TYR CA C 67 61.277 61.277 58.725 2.552 25454 6082 1 14 . 1 1 67 67 TYR CB C 67 36.768 36.768 37.550 -0.781 25454 6083 1 14 . 1 1 67 67 TYR H H 67 9.409 9.409 8.051 1.358 25454 6084 1 14 . 1 1 68 68 THR N N 68 112.470 112.470 116.026 -3.556 25454 6085 1 14 . 1 1 68 68 THR HA H 68 4.268 4.268 4.055 0.213 25454 6086 1 14 . 1 1 68 68 THR C C 68 176.104 176.104 176.819 -0.715 25454 6087 1 14 . 1 1 68 68 THR CA C 68 64.650 64.650 66.061 -1.411 25454 6088 1 14 . 1 1 68 68 THR CB C 68 70.268 70.268 68.596 1.672 25454 6089 1 14 . 1 1 68 68 THR H H 68 8.076 8.076 8.210 -0.134 25454 6090 1 14 . 1 1 69 69 PHE N N 69 123.660 123.660 120.011 3.649 25454 6091 1 14 . 1 1 69 69 PHE HA H 69 2.811 2.811 4.537 -1.726 25454 6092 1 14 . 1 1 69 69 PHE C C 69 176.290 176.290 176.567 -0.277 25454 6093 1 14 . 1 1 69 69 PHE CA C 69 61.510 61.510 57.066 4.444 25454 6094 1 14 . 1 1 69 69 PHE CB C 69 39.610 39.610 37.788 1.822 25454 6095 1 14 . 1 1 69 69 PHE H H 69 7.969 7.969 7.782 0.187 25454 6096 1 14 . 1 1 70 70 LYS N N 70 113.530 113.530 119.705 -6.175 25454 6097 1 14 . 1 1 70 70 LYS HA H 70 3.757 3.757 4.080 -0.323 25454 6098 1 14 . 1 1 70 70 LYS C C 70 176.269 176.269 177.829 -1.560 25454 6099 1 14 . 1 1 70 70 LYS CA C 70 57.840 57.840 57.510 0.330 25454 6100 1 14 . 1 1 70 70 LYS CB C 70 32.520 32.520 32.309 0.211 25454 6101 1 14 . 1 1 70 70 LYS H H 70 6.957 6.957 7.693 -0.736 25454 6102 1 14 . 1 1 71 71 ASN N N 71 117.360 117.360 116.992 0.368 25454 6103 1 14 . 1 1 71 71 ASN HA H 71 4.652 4.652 4.552 0.100 25454 6104 1 14 . 1 1 71 71 ASN C C 71 175.155 175.155 176.625 -1.470 25454 6105 1 14 . 1 1 71 71 ASN CA C 71 53.273 53.273 54.986 -1.713 25454 6106 1 14 . 1 1 71 71 ASN CB C 71 38.870 38.870 38.352 0.518 25454 6107 1 14 . 1 1 71 71 ASN H H 71 7.488 7.488 7.944 -0.456 25454 6108 1 14 . 1 1 72 72 GLN N N 72 119.610 119.610 116.492 3.118 25454 6109 1 14 . 1 1 72 72 GLN HA H 72 4.202 4.202 4.242 -0.040 25454 6110 1 14 . 1 1 72 72 GLN C C 72 179.467 179.467 176.725 2.742 25454 6111 1 14 . 1 1 72 72 GLN CA C 72 56.160 56.160 57.591 -1.431 25454 6112 1 14 . 1 1 72 72 GLN CB C 72 29.460 29.460 28.520 0.940 25454 6113 1 14 . 1 1 72 72 GLN H H 72 7.611 7.611 7.916 -0.305 25454 6114 1 14 . 1 1 73 73 ALA N N 73 125.130 125.130 121.904 3.226 25454 6115 1 14 . 1 1 73 73 ALA HA H 73 4.198 4.198 4.282 -0.084 25454 6116 1 14 . 1 1 73 73 ALA C C 73 177.907 177.907 177.478 0.429 25454 6117 1 14 . 1 1 73 73 ALA CA C 73 52.761 52.761 51.932 0.829 25454 6118 1 14 . 1 1 73 73 ALA CB C 73 19.028 19.028 20.060 -1.032 25454 6119 1 14 . 1 1 73 73 ALA H H 73 8.072 8.072 7.458 0.614 25454 6120 1 14 . 1 1 74 74 SER N N 74 115.100 115.100 112.048 3.052 25454 6121 1 14 . 1 1 74 74 SER HA H 74 4.344 4.344 3.985 0.359 25454 6122 1 14 . 1 1 74 74 SER C C 74 174.562 174.562 174.423 0.139 25454 6123 1 14 . 1 1 74 74 SER CA C 74 58.640 58.640 58.780 -0.140 25454 6124 1 14 . 1 1 74 74 SER CB C 74 63.660 63.660 62.015 1.645 25454 6125 1 14 . 1 1 74 74 SER H H 74 8.114 8.114 7.888 0.226 25454 6126 1 14 . 1 1 75 75 ASN N N 75 120.950 120.950 117.274 3.676 25454 6127 1 14 . 1 1 75 75 ASN HA H 75 4.698 4.698 4.511 0.187 25454 6128 1 14 . 1 1 75 75 ASN C C 75 174.790 174.790 175.381 -0.591 25454 6129 1 14 . 1 1 75 75 ASN CA C 75 53.340 53.340 53.638 -0.298 25454 6130 1 14 . 1 1 75 75 ASN CB C 75 38.980 38.980 38.612 0.368 25454 6131 1 14 . 1 1 75 75 ASN H H 75 8.283 8.283 8.422 -0.139 25454 6132 1 14 . 1 1 76 76 ASP N N 76 120.550 120.550 119.106 1.444 25454 6133 1 14 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.559 0.044 25454 6134 1 14 . 1 1 76 76 ASP C C 76 175.588 175.588 174.362 1.226 25454 6135 1 14 . 1 1 76 76 ASP CA C 76 53.940 53.940 52.104 1.836 25454 6136 1 14 . 1 1 76 76 ASP CB C 76 40.510 40.510 38.422 2.088 25454 6137 1 14 . 1 1 76 76 ASP H H 76 8.201 8.201 8.169 0.032 25454 6138 1 14 . 1 1 77 77 LEU N N 77 123.780 123.780 114.777 9.003 25454 6139 1 14 . 1 1 77 77 LEU HA H 77 4.600 4.600 4.495 0.105 25454 6140 1 14 . 1 1 77 77 LEU CA C 77 52.980 52.980 51.849 1.131 25454 6141 1 14 . 1 1 77 77 LEU CB C 77 41.850 41.850 41.610 0.240 25454 6142 1 14 . 1 1 77 77 LEU H H 77 8.021 8.021 7.341 0.680 25454 6143 1 14 . 1 1 78 78 PRO HA H 78 4.417 4.417 4.556 -0.139 25454 6144 1 14 . 1 1 78 78 PRO C C 78 176.058 176.058 176.487 -0.429 25454 6145 1 14 . 1 1 78 78 PRO CA C 78 63.260 63.260 62.837 0.423 25454 6146 1 14 . 1 1 78 78 PRO CB C 78 31.956 31.956 32.210 -0.254 25454 6147 1 15 . 1 1 2 2 ASN N N 2 118.440 118.440 117.451 0.989 25454 6148 1 15 . 1 1 2 2 ASN HA H 2 4.660 4.660 4.602 0.058 25454 6149 1 15 . 1 1 2 2 ASN C C 2 174.884 174.884 175.561 -0.677 25454 6150 1 15 . 1 1 2 2 ASN CA C 2 53.730 53.730 54.199 -0.469 25454 6151 1 15 . 1 1 2 2 ASN CB C 2 38.500 38.500 37.905 0.595 25454 6152 1 15 . 1 1 2 2 ASN H H 2 8.869 8.869 9.139 -0.270 25454 6153 1 15 . 1 1 3 3 GLU N N 3 121.390 121.390 120.685 0.705 25454 6154 1 15 . 1 1 3 3 GLU HA H 3 4.416 4.416 4.237 0.179 25454 6155 1 15 . 1 1 3 3 GLU C C 3 175.916 175.916 175.491 0.425 25454 6156 1 15 . 1 1 3 3 GLU CA C 3 56.300 56.300 56.759 -0.459 25454 6157 1 15 . 1 1 3 3 GLU CB C 3 29.810 29.810 30.111 -0.301 25454 6158 1 15 . 1 1 3 3 GLU H H 3 8.560 8.560 8.496 0.064 25454 6159 1 15 . 1 1 4 4 SER N N 4 118.190 118.190 116.145 2.045 25454 6160 1 15 . 1 1 4 4 SER HA H 4 4.716 4.716 4.605 0.111 25454 6161 1 15 . 1 1 4 4 SER C C 4 175.686 175.686 174.046 1.640 25454 6162 1 15 . 1 1 4 4 SER CA C 4 57.890 57.890 57.100 0.790 25454 6163 1 15 . 1 1 4 4 SER CB C 4 65.080 65.080 63.508 1.572 25454 6164 1 15 . 1 1 4 4 SER H H 4 8.802 8.802 8.319 0.483 25454 6165 1 15 . 1 1 5 5 ALA N N 5 128.990 128.990 128.786 0.204 25454 6166 1 15 . 1 1 5 5 ALA HA H 5 4.142 4.142 4.090 0.052 25454 6167 1 15 . 1 1 5 5 ALA C C 5 179.112 179.112 179.327 -0.215 25454 6168 1 15 . 1 1 5 5 ALA CA C 5 55.880 55.880 54.397 1.483 25454 6169 1 15 . 1 1 5 5 ALA CB C 5 18.110 18.110 18.836 -0.726 25454 6170 1 15 . 1 1 5 5 ALA H H 5 8.992 8.992 8.629 0.363 25454 6171 1 15 . 1 1 6 6 LYS N N 6 114.810 114.810 117.988 -3.178 25454 6172 1 15 . 1 1 6 6 LYS HA H 6 3.221 3.221 2.248 0.973 25454 6173 1 15 . 1 1 6 6 LYS C C 6 177.448 177.448 177.491 -0.043 25454 6174 1 15 . 1 1 6 6 LYS CA C 6 57.740 57.740 58.856 -1.116 25454 6175 1 15 . 1 1 6 6 LYS CB C 6 31.830 31.830 31.686 0.144 25454 6176 1 15 . 1 1 6 6 LYS H H 6 7.776 7.776 7.960 -0.184 25454 6177 1 15 . 1 1 7 7 ASP N N 7 119.190 119.190 116.188 3.002 25454 6178 1 15 . 1 1 7 7 ASP HA H 7 4.748 4.748 4.814 -0.066 25454 6179 1 15 . 1 1 7 7 ASP C C 7 176.254 176.254 175.378 0.876 25454 6180 1 15 . 1 1 7 7 ASP CA C 7 53.800 53.800 53.112 0.688 25454 6181 1 15 . 1 1 7 7 ASP CB C 7 41.560 41.560 40.342 1.218 25454 6182 1 15 . 1 1 7 7 ASP H H 7 7.744 7.744 7.531 0.213 25454 6183 1 15 . 1 1 8 8 MET N N 8 122.540 122.540 121.968 0.572 25454 6184 1 15 . 1 1 8 8 MET HA H 8 4.502 4.502 4.371 0.131 25454 6185 1 15 . 1 1 8 8 MET C C 8 176.932 176.932 176.057 0.875 25454 6186 1 15 . 1 1 8 8 MET CA C 8 56.390 56.390 56.725 -0.335 25454 6187 1 15 . 1 1 8 8 MET CB C 8 35.300 35.300 33.211 2.090 25454 6188 1 15 . 1 1 8 8 MET H H 8 7.925 7.925 7.251 0.674 25454 6189 1 15 . 1 1 9 9 THR N N 9 121.410 121.410 122.280 -0.870 25454 6190 1 15 . 1 1 9 9 THR HA H 9 4.794 4.794 4.492 0.302 25454 6191 1 15 . 1 1 9 9 THR C C 9 176.198 176.198 175.417 0.781 25454 6192 1 15 . 1 1 9 9 THR CA C 9 61.960 61.960 62.895 -0.935 25454 6193 1 15 . 1 1 9 9 THR CB C 9 72.200 72.200 70.230 1.970 25454 6194 1 15 . 1 1 9 9 THR H H 9 9.927 9.927 8.180 1.747 25454 6195 1 15 . 1 1 10 10 CYS N N 10 121.150 121.150 126.421 -5.271 25454 6196 1 15 . 1 1 10 10 CYS HA H 10 4.685 4.685 4.212 0.473 25454 6197 1 15 . 1 1 10 10 CYS C C 10 177.324 177.324 176.878 0.446 25454 6198 1 15 . 1 1 10 10 CYS CA C 10 56.970 56.970 62.343 -5.373 25454 6199 1 15 . 1 1 10 10 CYS CB C 10 32.440 32.440 25.790 6.650 25454 6200 1 15 . 1 1 10 10 CYS H H 10 9.765 9.765 8.741 1.024 25454 6201 1 15 . 1 1 11 11 GLN N N 11 121.360 121.360 119.628 1.732 25454 6202 1 15 . 1 1 11 11 GLN HA H 11 3.894 3.894 4.142 -0.248 25454 6203 1 15 . 1 1 11 11 GLN C C 11 176.902 176.902 177.294 -0.392 25454 6204 1 15 . 1 1 11 11 GLN CA C 11 58.680 58.680 58.489 0.191 25454 6205 1 15 . 1 1 11 11 GLN CB C 11 28.900 28.900 28.344 0.556 25454 6206 1 15 . 1 1 11 11 GLN H H 11 8.583 8.583 8.239 0.344 25454 6207 1 15 . 1 1 12 12 GLU N N 12 117.090 117.090 119.511 -2.421 25454 6208 1 15 . 1 1 12 12 GLU HA H 12 3.983 3.983 4.150 -0.167 25454 6209 1 15 . 1 1 12 12 GLU C C 12 179.763 179.763 178.916 0.847 25454 6210 1 15 . 1 1 12 12 GLU CA C 12 59.528 59.528 57.841 1.687 25454 6211 1 15 . 1 1 12 12 GLU CB C 12 31.830 31.830 29.861 1.969 25454 6212 1 15 . 1 1 12 12 GLU H H 12 7.867 7.867 7.701 0.166 25454 6213 1 15 . 1 1 13 13 PHE N N 13 119.630 119.630 122.081 -2.451 25454 6214 1 15 . 1 1 13 13 PHE HA H 13 4.269 4.269 4.244 0.025 25454 6215 1 15 . 1 1 13 13 PHE C C 13 176.432 176.432 178.022 -1.590 25454 6216 1 15 . 1 1 13 13 PHE CA C 13 61.150 61.150 61.454 -0.304 25454 6217 1 15 . 1 1 13 13 PHE CB C 13 39.520 39.520 39.642 -0.122 25454 6218 1 15 . 1 1 13 13 PHE H H 13 8.182 8.182 8.537 -0.355 25454 6219 1 15 . 1 1 14 14 ILE N N 14 114.180 114.180 113.932 0.248 25454 6220 1 15 . 1 1 14 14 ILE HA H 14 3.761 3.761 3.866 -0.105 25454 6221 1 15 . 1 1 14 14 ILE C C 14 177.089 177.089 175.954 1.135 25454 6222 1 15 . 1 1 14 14 ILE CA C 14 63.030 63.030 63.366 -0.336 25454 6223 1 15 . 1 1 14 14 ILE CB C 14 36.740 36.740 37.315 -0.575 25454 6224 1 15 . 1 1 14 14 ILE H H 14 8.191 8.191 8.086 0.105 25454 6225 1 15 . 1 1 15 15 ASP N N 15 120.260 120.260 119.196 1.064 25454 6226 1 15 . 1 1 15 15 ASP HA H 15 4.716 4.716 4.742 -0.026 25454 6227 1 15 . 1 1 15 15 ASP C C 15 174.697 174.697 176.239 -1.542 25454 6228 1 15 . 1 1 15 15 ASP CA C 15 54.080 54.080 53.703 0.377 25454 6229 1 15 . 1 1 15 15 ASP CB C 15 40.810 40.810 42.474 -1.664 25454 6230 1 15 . 1 1 15 15 ASP H H 15 7.478 7.478 7.739 -0.261 25454 6231 1 15 . 1 1 16 16 LEU N N 16 122.985 122.985 119.486 3.499 25454 6232 1 15 . 1 1 16 16 LEU HA H 16 4.067 4.067 4.326 -0.259 25454 6233 1 15 . 1 1 16 16 LEU C C 16 176.710 176.710 176.169 0.541 25454 6234 1 15 . 1 1 16 16 LEU CA C 16 55.028 55.028 55.137 -0.109 25454 6235 1 15 . 1 1 16 16 LEU CB C 16 43.370 43.370 42.682 0.688 25454 6236 1 15 . 1 1 16 16 LEU H H 16 7.226 7.226 7.340 -0.114 25454 6237 1 15 . 1 1 17 17 ASN N N 17 119.620 119.620 119.649 -0.029 25454 6238 1 15 . 1 1 17 17 ASN HA H 17 4.634 4.634 4.788 -0.154 25454 6239 1 15 . 1 1 17 17 ASN CA C 17 52.048 52.048 51.191 0.858 25454 6240 1 15 . 1 1 17 17 ASN CB C 17 39.480 39.480 38.493 0.987 25454 6241 1 15 . 1 1 17 17 ASN H H 17 7.265 7.265 8.399 -1.134 25454 6242 1 15 . 1 1 18 18 PRO HA H 18 4.137 4.137 4.102 0.035 25454 6243 1 15 . 1 1 18 18 PRO C C 18 179.247 179.247 177.876 1.371 25454 6244 1 15 . 1 1 18 18 PRO CA C 18 65.370 65.370 64.601 0.769 25454 6245 1 15 . 1 1 18 18 PRO CB C 18 32.610 32.610 31.843 0.767 25454 6246 1 15 . 1 1 19 19 LYS N N 19 116.450 116.450 119.110 -2.660 25454 6247 1 15 . 1 1 19 19 LYS HA H 19 3.856 3.856 3.960 -0.104 25454 6248 1 15 . 1 1 19 19 LYS C C 19 176.995 176.995 178.919 -1.924 25454 6249 1 15 . 1 1 19 19 LYS CA C 19 59.080 59.080 59.698 -0.618 25454 6250 1 15 . 1 1 19 19 LYS CB C 19 34.940 34.940 31.960 2.980 25454 6251 1 15 . 1 1 19 19 LYS H H 19 8.445 8.445 8.751 -0.306 25454 6252 1 15 . 1 1 20 20 ALA N N 20 116.170 116.170 121.426 -5.256 25454 6253 1 15 . 1 1 20 20 ALA HA H 20 4.255 4.255 4.334 -0.079 25454 6254 1 15 . 1 1 20 20 ALA C C 20 177.511 177.511 179.398 -1.887 25454 6255 1 15 . 1 1 20 20 ALA CA C 20 51.640 51.640 53.906 -2.266 25454 6256 1 15 . 1 1 20 20 ALA CB C 20 21.660 21.660 17.916 3.744 25454 6257 1 15 . 1 1 20 20 ALA H H 20 8.400 8.400 7.850 0.550 25454 6258 1 15 . 1 1 21 21 MET N N 21 117.850 117.850 119.445 -1.595 25454 6259 1 15 . 1 1 21 21 MET HA H 21 3.645 3.645 3.924 -0.279 25454 6260 1 15 . 1 1 21 21 MET C C 21 177.511 177.511 177.665 -0.154 25454 6261 1 15 . 1 1 21 21 MET CA C 21 61.418 61.418 59.943 1.475 25454 6262 1 15 . 1 1 21 21 MET CB C 21 33.220 33.220 32.613 0.607 25454 6263 1 15 . 1 1 21 21 MET H H 21 7.206 7.206 8.536 -1.330 25454 6264 1 15 . 1 1 22 22 THR N N 22 114.690 114.690 115.537 -0.847 25454 6265 1 15 . 1 1 22 22 THR HA H 22 4.115 4.115 4.249 -0.134 25454 6266 1 15 . 1 1 22 22 THR CA C 22 69.550 69.550 68.570 0.980 25454 6267 1 15 . 1 1 22 22 THR CB C 22 65.700 65.700 66.949 -1.249 25454 6268 1 15 . 1 1 22 22 THR H H 22 8.695 8.695 7.730 0.965 25454 6269 1 15 . 1 1 23 23 PRO HA H 23 3.550 3.550 4.288 -0.738 25454 6270 1 15 . 1 1 23 23 PRO C C 23 178.637 178.637 178.558 0.079 25454 6271 1 15 . 1 1 23 23 PRO CA C 23 65.770 65.770 66.058 -0.288 25454 6272 1 15 . 1 1 23 23 PRO CB C 23 31.182 31.182 31.165 0.017 25454 6273 1 15 . 1 1 24 24 VAL N N 24 115.820 115.820 118.355 -2.535 25454 6274 1 15 . 1 1 24 24 VAL HA H 24 3.675 3.675 4.018 -0.343 25454 6275 1 15 . 1 1 24 24 VAL C C 24 177.464 177.464 177.487 -0.023 25454 6276 1 15 . 1 1 24 24 VAL CA C 24 67.490 67.490 65.573 1.917 25454 6277 1 15 . 1 1 24 24 VAL CB C 24 31.970 31.970 31.871 0.099 25454 6278 1 15 . 1 1 24 24 VAL H H 24 7.441 7.441 7.553 -0.112 25454 6279 1 15 . 1 1 25 25 ALA N N 25 122.670 122.670 122.624 0.046 25454 6280 1 15 . 1 1 25 25 ALA HA H 25 3.783 3.783 4.348 -0.565 25454 6281 1 15 . 1 1 25 25 ALA C C 25 178.497 178.497 178.922 -0.425 25454 6282 1 15 . 1 1 25 25 ALA CA C 25 55.620 55.620 55.079 0.541 25454 6283 1 15 . 1 1 25 25 ALA CB C 25 18.852 18.852 18.475 0.377 25454 6284 1 15 . 1 1 25 25 ALA H H 25 8.805 8.805 8.552 0.253 25454 6285 1 15 . 1 1 26 26 TRP N N 26 118.270 118.270 120.496 -2.226 25454 6286 1 15 . 1 1 26 26 TRP HA H 26 3.709 3.709 4.576 -0.867 25454 6287 1 15 . 1 1 26 26 TRP C C 26 178.309 178.309 177.340 0.969 25454 6288 1 15 . 1 1 26 26 TRP CA C 26 63.940 63.940 60.670 3.270 25454 6289 1 15 . 1 1 26 26 TRP CB C 26 29.740 29.740 30.503 -0.763 25454 6290 1 15 . 1 1 26 26 TRP H H 26 9.181 9.181 8.084 1.097 25454 6291 1 15 . 1 1 27 27 TRP N N 27 119.740 119.740 121.314 -1.574 25454 6292 1 15 . 1 1 27 27 TRP HA H 27 4.118 4.118 3.357 0.761 25454 6293 1 15 . 1 1 27 27 TRP C C 27 177.511 177.511 177.724 -0.213 25454 6294 1 15 . 1 1 27 27 TRP CA C 27 60.588 60.588 58.549 2.039 25454 6295 1 15 . 1 1 27 27 TRP CB C 27 30.021 30.021 29.550 0.471 25454 6296 1 15 . 1 1 27 27 TRP H H 27 8.527 8.527 9.004 -0.477 25454 6297 1 15 . 1 1 28 28 MET N N 28 119.130 119.130 118.953 0.177 25454 6298 1 15 . 1 1 28 28 MET HA H 28 3.618 3.618 3.395 0.223 25454 6299 1 15 . 1 1 28 28 MET C C 28 177.587 177.587 177.193 0.394 25454 6300 1 15 . 1 1 28 28 MET CA C 28 58.540 58.540 58.222 0.318 25454 6301 1 15 . 1 1 28 28 MET CB C 28 29.392 29.392 31.447 -2.055 25454 6302 1 15 . 1 1 28 28 MET H H 28 7.756 7.756 7.748 0.008 25454 6303 1 15 . 1 1 29 29 LEU N N 29 117.820 117.820 117.550 0.270 25454 6304 1 15 . 1 1 29 29 LEU HA H 29 3.559 3.559 3.916 -0.357 25454 6305 1 15 . 1 1 29 29 LEU C C 29 179.417 179.417 178.300 1.117 25454 6306 1 15 . 1 1 29 29 LEU CA C 29 57.043 57.043 57.272 -0.229 25454 6307 1 15 . 1 1 29 29 LEU CB C 29 42.676 42.676 41.936 0.740 25454 6308 1 15 . 1 1 29 29 LEU H H 29 7.838 7.838 7.448 0.390 25454 6309 1 15 . 1 1 30 30 HIS N N 30 113.790 113.790 113.256 0.534 25454 6310 1 15 . 1 1 30 30 HIS HA H 30 4.059 4.059 4.417 -0.358 25454 6311 1 15 . 1 1 30 30 HIS C C 30 176.289 176.289 175.424 0.865 25454 6312 1 15 . 1 1 30 30 HIS CA C 30 56.030 56.030 57.451 -1.421 25454 6313 1 15 . 1 1 30 30 HIS CB C 30 29.216 29.216 31.481 -2.265 25454 6314 1 15 . 1 1 30 30 HIS H H 30 7.757 7.757 7.169 0.588 25454 6315 1 15 . 1 1 31 31 GLU N N 31 125.870 125.870 117.972 7.898 25454 6316 1 15 . 1 1 31 31 GLU HA H 31 4.450 4.450 3.794 0.656 25454 6317 1 15 . 1 1 31 31 GLU C C 31 176.775 176.775 175.840 0.935 25454 6318 1 15 . 1 1 31 31 GLU CA C 31 56.160 56.160 56.503 -0.343 25454 6319 1 15 . 1 1 31 31 GLU CB C 31 28.386 28.386 30.107 -1.721 25454 6320 1 15 . 1 1 31 31 GLU H H 31 8.916 8.916 8.249 0.667 25454 6321 1 15 . 1 1 32 32 GLU N N 32 116.185 116.185 123.137 -6.952 25454 6322 1 15 . 1 1 32 32 GLU HA H 32 3.563 3.563 4.155 -0.592 25454 6323 1 15 . 1 1 32 32 GLU C C 32 174.994 174.994 176.653 -1.659 25454 6324 1 15 . 1 1 32 32 GLU CA C 32 58.090 58.090 57.862 0.228 25454 6325 1 15 . 1 1 32 32 GLU CB C 32 26.783 26.783 28.550 -1.767 25454 6326 1 15 . 1 1 32 32 GLU H H 32 9.330 9.330 8.541 0.789 25454 6327 1 15 . 1 1 33 33 THR N N 33 110.202 110.202 114.406 -4.204 25454 6328 1 15 . 1 1 33 33 THR HA H 33 4.696 4.696 4.098 0.598 25454 6329 1 15 . 1 1 33 33 THR C C 33 173.529 173.529 174.582 -1.053 25454 6330 1 15 . 1 1 33 33 THR CA C 33 60.129 60.129 62.848 -2.719 25454 6331 1 15 . 1 1 33 33 THR CB C 33 71.864 71.864 68.913 2.951 25454 6332 1 15 . 1 1 33 33 THR H H 33 7.620 7.620 7.841 -0.221 25454 6333 1 15 . 1 1 34 34 VAL N N 34 121.967 121.967 117.875 4.092 25454 6334 1 15 . 1 1 34 34 VAL HA H 34 4.139 4.139 3.972 0.167 25454 6335 1 15 . 1 1 34 34 VAL C C 34 172.579 172.579 174.778 -2.199 25454 6336 1 15 . 1 1 34 34 VAL CA C 34 63.032 63.032 63.562 -0.530 25454 6337 1 15 . 1 1 34 34 VAL CB C 34 32.594 32.594 32.302 0.292 25454 6338 1 15 . 1 1 34 34 VAL H H 34 8.308 8.308 7.437 0.871 25454 6339 1 15 . 1 1 35 35 TYR N N 35 129.550 129.550 125.101 4.449 25454 6340 1 15 . 1 1 35 35 TYR HA H 35 4.562 4.562 4.483 0.079 25454 6341 1 15 . 1 1 35 35 TYR CA C 35 58.660 58.660 57.835 0.825 25454 6342 1 15 . 1 1 35 35 TYR CB C 35 39.520 39.520 38.150 1.370 25454 6343 1 15 . 1 1 35 35 TYR H H 35 8.610 8.610 8.794 -0.184 25454 6344 1 15 . 1 1 36 36 LYS N N 36 129.360 129.360 127.694 1.666 25454 6345 1 15 . 1 1 36 36 LYS HA H 36 4.411 4.411 4.183 0.228 25454 6346 1 15 . 1 1 36 36 LYS CA C 36 55.626 55.626 57.086 -1.460 25454 6347 1 15 . 1 1 36 36 LYS CB C 36 32.790 32.790 32.298 0.492 25454 6348 1 15 . 1 1 36 36 LYS H H 36 8.509 8.509 8.441 0.068 25454 6349 1 15 . 1 1 37 37 GLY N N 37 109.150 109.150 110.929 -1.779 25454 6350 1 15 . 1 1 37 37 GLY C C 37 174.428 174.428 174.576 -0.148 25454 6351 1 15 . 1 1 37 37 GLY CA C 37 46.427 46.427 45.086 1.341 25454 6352 1 15 . 1 1 37 37 GLY H H 37 6.819 6.819 8.659 -1.840 25454 6353 1 15 . 1 1 38 38 GLY N N 38 110.780 110.780 108.064 2.716 25454 6354 1 15 . 1 1 38 38 GLY C C 38 174.108 174.108 172.610 1.498 25454 6355 1 15 . 1 1 38 38 GLY CA C 38 44.972 44.972 44.857 0.115 25454 6356 1 15 . 1 1 38 38 GLY H H 38 8.365 8.365 7.787 0.578 25454 6357 1 15 . 1 1 39 39 ASP N N 39 120.800 120.800 118.569 2.231 25454 6358 1 15 . 1 1 39 39 ASP HA H 39 4.789 4.789 4.794 -0.005 25454 6359 1 15 . 1 1 39 39 ASP C C 39 177.820 177.820 176.489 1.331 25454 6360 1 15 . 1 1 39 39 ASP CA C 39 55.340 55.340 54.095 1.245 25454 6361 1 15 . 1 1 39 39 ASP CB C 39 41.150 41.150 42.167 -1.017 25454 6362 1 15 . 1 1 39 39 ASP H H 39 8.476 8.476 8.094 0.382 25454 6363 1 15 . 1 1 40 40 THR N N 40 111.201 111.201 115.118 -3.917 25454 6364 1 15 . 1 1 40 40 THR HA H 40 3.753 3.753 4.116 -0.363 25454 6365 1 15 . 1 1 40 40 THR C C 40 175.526 175.526 175.000 0.526 25454 6366 1 15 . 1 1 40 40 THR CA C 40 60.300 60.300 63.050 -2.750 25454 6367 1 15 . 1 1 40 40 THR CB C 40 71.278 71.278 69.201 2.077 25454 6368 1 15 . 1 1 40 40 THR H H 40 8.132 8.132 8.461 -0.329 25454 6369 1 15 . 1 1 41 41 VAL N N 41 125.014 125.014 120.120 4.894 25454 6370 1 15 . 1 1 41 41 VAL HA H 41 3.831 3.831 3.194 0.637 25454 6371 1 15 . 1 1 41 41 VAL C C 41 174.100 174.100 174.871 -0.771 25454 6372 1 15 . 1 1 41 41 VAL CA C 41 63.988 63.988 63.019 0.969 25454 6373 1 15 . 1 1 41 41 VAL CB C 41 30.465 30.465 29.274 1.191 25454 6374 1 15 . 1 1 41 41 VAL H H 41 8.278 8.278 8.301 -0.023 25454 6375 1 15 . 1 1 42 42 THR N N 42 121.970 121.970 112.427 9.543 25454 6376 1 15 . 1 1 42 42 THR HA H 42 4.603 4.603 4.640 -0.037 25454 6377 1 15 . 1 1 42 42 THR C C 42 172.978 172.978 174.698 -1.720 25454 6378 1 15 . 1 1 42 42 THR CA C 42 60.166 60.166 59.474 0.692 25454 6379 1 15 . 1 1 42 42 THR CB C 42 70.588 70.588 71.529 -0.941 25454 6380 1 15 . 1 1 42 42 THR H H 42 7.849 7.849 7.952 -0.103 25454 6381 1 15 . 1 1 43 43 LEU N N 43 122.979 122.979 125.517 -2.538 25454 6382 1 15 . 1 1 43 43 LEU HA H 43 5.041 5.041 4.451 0.590 25454 6383 1 15 . 1 1 43 43 LEU CA C 43 55.072 55.072 54.563 0.509 25454 6384 1 15 . 1 1 43 43 LEU CB C 43 42.661 42.661 40.708 1.953 25454 6385 1 15 . 1 1 43 43 LEU H H 43 8.310 8.310 8.496 -0.186 25454 6386 1 15 . 1 1 44 44 ASN N N 44 124.579 124.579 122.268 2.311 25454 6387 1 15 . 1 1 44 44 ASN HA H 44 5.135 5.135 4.668 0.467 25454 6388 1 15 . 1 1 44 44 ASN C C 44 175.736 175.736 176.012 -0.276 25454 6389 1 15 . 1 1 44 44 ASN CA C 44 50.814 50.814 52.726 -1.912 25454 6390 1 15 . 1 1 44 44 ASN CB C 44 40.280 40.280 39.424 0.856 25454 6391 1 15 . 1 1 44 44 ASN H H 44 9.542 9.542 8.082 1.460 25454 6392 1 15 . 1 1 45 45 GLU N N 45 118.210 118.210 119.319 -1.109 25454 6393 1 15 . 1 1 45 45 GLU HA H 45 4.088 4.088 4.057 0.031 25454 6394 1 15 . 1 1 45 45 GLU C C 45 179.010 179.010 178.602 0.408 25454 6395 1 15 . 1 1 45 45 GLU CA C 45 60.349 60.349 59.608 0.741 25454 6396 1 15 . 1 1 45 45 GLU CB C 45 28.908 28.908 29.489 -0.581 25454 6397 1 15 . 1 1 45 45 GLU H H 45 8.752 8.752 8.907 -0.155 25454 6398 1 15 . 1 1 46 46 THR N N 46 116.430 116.430 117.428 -0.998 25454 6399 1 15 . 1 1 46 46 THR HA H 46 4.114 4.114 3.970 0.144 25454 6400 1 15 . 1 1 46 46 THR C C 46 176.994 176.994 176.533 0.461 25454 6401 1 15 . 1 1 46 46 THR CA C 46 66.260 66.260 66.884 -0.624 25454 6402 1 15 . 1 1 46 46 THR CB C 46 68.270 68.270 68.635 -0.366 25454 6403 1 15 . 1 1 46 46 THR H H 46 8.043 8.043 7.896 0.147 25454 6404 1 15 . 1 1 47 47 ASP N N 47 124.380 124.380 122.452 1.928 25454 6405 1 15 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.404 -0.060 25454 6406 1 15 . 1 1 47 47 ASP C C 47 178.914 178.914 178.566 0.348 25454 6407 1 15 . 1 1 47 47 ASP CA C 47 58.630 58.630 57.572 1.058 25454 6408 1 15 . 1 1 47 47 ASP CB C 47 42.350 42.350 40.518 1.832 25454 6409 1 15 . 1 1 47 47 ASP H H 47 8.475 8.475 8.203 0.273 25454 6410 1 15 . 1 1 48 48 LEU N N 48 116.889 116.889 119.077 -2.188 25454 6411 1 15 . 1 1 48 48 LEU HA H 48 4.118 4.118 4.115 0.003 25454 6412 1 15 . 1 1 48 48 LEU C C 48 175.839 175.839 179.158 -3.319 25454 6413 1 15 . 1 1 48 48 LEU CA C 48 57.432 57.432 57.916 -0.484 25454 6414 1 15 . 1 1 48 48 LEU CB C 48 41.430 41.430 41.852 -0.423 25454 6415 1 15 . 1 1 48 48 LEU H H 48 8.082 8.082 8.085 -0.003 25454 6416 1 15 . 1 1 49 49 THR N N 49 112.550 112.550 114.586 -2.036 25454 6417 1 15 . 1 1 49 49 THR HA H 49 4.310 4.310 4.236 0.075 25454 6418 1 15 . 1 1 49 49 THR C C 49 177.306 177.306 176.372 0.934 25454 6419 1 15 . 1 1 49 49 THR CA C 49 64.520 64.520 66.116 -1.596 25454 6420 1 15 . 1 1 49 49 THR CB C 49 69.525 69.525 68.836 0.689 25454 6421 1 15 . 1 1 49 49 THR H H 49 7.743 7.743 7.864 -0.121 25454 6422 1 15 . 1 1 50 50 GLN N N 50 121.570 121.570 121.177 0.393 25454 6423 1 15 . 1 1 50 50 GLN HA H 50 4.344 4.344 4.177 0.167 25454 6424 1 15 . 1 1 50 50 GLN C C 50 178.308 178.308 178.193 0.115 25454 6425 1 15 . 1 1 50 50 GLN CA C 50 58.630 58.630 58.735 -0.105 25454 6426 1 15 . 1 1 50 50 GLN CB C 50 30.850 30.850 28.749 2.101 25454 6427 1 15 . 1 1 50 50 GLN H H 50 8.519 8.519 8.031 0.488 25454 6428 1 15 . 1 1 51 51 ILE N N 51 120.320 120.320 120.542 -0.222 25454 6429 1 15 . 1 1 51 51 ILE HA H 51 3.573 3.573 4.061 -0.488 25454 6430 1 15 . 1 1 51 51 ILE CA C 51 69.155 69.155 64.405 4.750 25454 6431 1 15 . 1 1 51 51 ILE CB C 51 35.659 35.659 34.560 1.099 25454 6432 1 15 . 1 1 51 51 ILE H H 51 8.663 8.663 8.575 0.088 25454 6433 1 15 . 1 1 52 52 PRO HA H 52 4.301 4.301 4.302 -0.001 25454 6434 1 15 . 1 1 52 52 PRO C C 52 179.686 179.686 178.876 0.810 25454 6435 1 15 . 1 1 52 52 PRO CA C 52 66.190 66.190 65.688 0.502 25454 6436 1 15 . 1 1 52 52 PRO CB C 52 31.270 31.270 31.394 -0.124 25454 6437 1 15 . 1 1 53 53 LYS N N 53 116.520 116.520 118.746 -2.226 25454 6438 1 15 . 1 1 53 53 LYS HA H 53 4.231 4.231 4.148 0.083 25454 6439 1 15 . 1 1 53 53 LYS C C 53 179.475 179.475 179.195 0.280 25454 6440 1 15 . 1 1 53 53 LYS CA C 53 59.017 59.017 59.790 -0.773 25454 6441 1 15 . 1 1 53 53 LYS CB C 53 31.796 31.796 32.288 -0.492 25454 6442 1 15 . 1 1 53 53 LYS H H 53 7.016 7.016 7.457 -0.441 25454 6443 1 15 . 1 1 54 54 VAL N N 54 125.220 125.220 114.682 10.538 25454 6444 1 15 . 1 1 54 54 VAL HA H 54 3.022 3.022 4.036 -1.014 25454 6445 1 15 . 1 1 54 54 VAL C C 54 177.692 177.692 177.306 0.386 25454 6446 1 15 . 1 1 54 54 VAL CA C 54 65.860 65.860 65.330 0.530 25454 6447 1 15 . 1 1 54 54 VAL CB C 54 30.623 30.623 31.772 -1.149 25454 6448 1 15 . 1 1 54 54 VAL H H 54 8.068 8.068 8.178 -0.110 25454 6449 1 15 . 1 1 55 55 ILE N N 55 119.943 119.943 120.882 -0.939 25454 6450 1 15 . 1 1 55 55 ILE HA H 55 3.641 3.641 4.260 -0.619 25454 6451 1 15 . 1 1 55 55 ILE C C 55 177.515 177.515 177.851 -0.336 25454 6452 1 15 . 1 1 55 55 ILE CA C 55 66.896 66.896 64.806 2.090 25454 6453 1 15 . 1 1 55 55 ILE CB C 55 38.500 38.500 38.553 -0.054 25454 6454 1 15 . 1 1 55 55 ILE H H 55 7.589 7.589 7.464 0.125 25454 6455 1 15 . 1 1 56 56 GLU N N 56 118.310 118.310 120.975 -2.665 25454 6456 1 15 . 1 1 56 56 GLU HA H 56 4.010 4.010 4.020 -0.010 25454 6457 1 15 . 1 1 56 56 GLU C C 56 178.518 178.518 179.275 -0.757 25454 6458 1 15 . 1 1 56 56 GLU CA C 56 59.603 59.603 59.902 -0.299 25454 6459 1 15 . 1 1 56 56 GLU CB C 56 29.776 29.776 29.688 0.088 25454 6460 1 15 . 1 1 56 56 GLU H H 56 7.794 7.794 8.433 -0.639 25454 6461 1 15 . 1 1 57 57 TYR N N 57 120.510 120.510 119.286 1.224 25454 6462 1 15 . 1 1 57 57 TYR HA H 57 4.239 4.239 4.316 -0.077 25454 6463 1 15 . 1 1 57 57 TYR C C 57 178.919 178.919 177.661 1.258 25454 6464 1 15 . 1 1 57 57 TYR CA C 57 61.600 61.600 61.124 0.476 25454 6465 1 15 . 1 1 57 57 TYR CB C 57 39.060 39.060 38.259 0.801 25454 6466 1 15 . 1 1 57 57 TYR H H 57 8.495 8.495 8.653 -0.158 25454 6467 1 15 . 1 1 58 58 CYS N N 58 117.760 117.760 118.095 -0.335 25454 6468 1 15 . 1 1 58 58 CYS HA H 58 4.685 4.685 4.378 0.307 25454 6469 1 15 . 1 1 58 58 CYS C C 58 177.217 177.217 176.205 1.012 25454 6470 1 15 . 1 1 58 58 CYS CA C 58 52.020 52.020 61.095 -9.075 25454 6471 1 15 . 1 1 58 58 CYS CB C 58 31.667 31.667 27.099 4.569 25454 6472 1 15 . 1 1 58 58 CYS H H 58 8.672 8.672 7.983 0.689 25454 6473 1 15 . 1 1 59 59 LYS N N 59 120.550 120.550 119.767 0.783 25454 6474 1 15 . 1 1 59 59 LYS HA H 59 4.008 4.008 4.086 -0.078 25454 6475 1 15 . 1 1 59 59 LYS C C 59 179.247 179.247 178.352 0.895 25454 6476 1 15 . 1 1 59 59 LYS CA C 59 59.790 59.790 58.779 1.012 25454 6477 1 15 . 1 1 59 59 LYS CB C 59 32.800 32.800 31.907 0.893 25454 6478 1 15 . 1 1 59 59 LYS H H 59 8.481 8.481 8.329 0.152 25454 6479 1 15 . 1 1 60 60 LYS N N 60 116.830 116.830 118.032 -1.202 25454 6480 1 15 . 1 1 60 60 LYS HA H 60 4.166 4.166 4.187 -0.021 25454 6481 1 15 . 1 1 60 60 LYS C C 60 176.432 176.432 177.294 -0.862 25454 6482 1 15 . 1 1 60 60 LYS CA C 60 57.260 57.260 58.090 -0.830 25454 6483 1 15 . 1 1 60 60 LYS CB C 60 33.760 33.760 33.026 0.734 25454 6484 1 15 . 1 1 60 60 LYS H H 60 7.455 7.455 7.977 -0.522 25454 6485 1 15 . 1 1 61 61 ASN N N 61 117.140 117.140 116.172 0.968 25454 6486 1 15 . 1 1 61 61 ASN HA H 61 4.686 4.686 5.346 -0.660 25454 6487 1 15 . 1 1 61 61 ASN CA C 61 51.300 51.300 50.783 0.517 25454 6488 1 15 . 1 1 61 61 ASN CB C 61 40.208 40.208 38.834 1.375 25454 6489 1 15 . 1 1 61 61 ASN H H 61 7.368 7.368 7.667 -0.299 25454 6490 1 15 . 1 1 62 62 PRO HA H 62 4.227 4.227 4.457 -0.230 25454 6491 1 15 . 1 1 62 62 PRO C C 62 177.511 177.511 177.720 -0.209 25454 6492 1 15 . 1 1 62 62 PRO CA C 62 65.430 65.430 65.149 0.281 25454 6493 1 15 . 1 1 62 62 PRO CB C 62 31.800 31.800 32.050 -0.250 25454 6494 1 15 . 1 1 63 63 GLN N N 63 114.045 114.045 114.281 -0.236 25454 6495 1 15 . 1 1 63 63 GLN HA H 63 4.450 4.450 4.217 0.233 25454 6496 1 15 . 1 1 63 63 GLN C C 63 177.766 177.766 176.705 1.061 25454 6497 1 15 . 1 1 63 63 GLN CA C 63 56.200 56.200 56.560 -0.360 25454 6498 1 15 . 1 1 63 63 GLN CB C 63 28.200 28.200 28.649 -0.449 25454 6499 1 15 . 1 1 63 63 GLN H H 63 8.578 8.578 8.352 0.226 25454 6500 1 15 . 1 1 64 64 LYS N N 64 119.960 119.960 120.480 -0.520 25454 6501 1 15 . 1 1 64 64 LYS HA H 64 4.452 4.452 4.246 0.206 25454 6502 1 15 . 1 1 64 64 LYS C C 64 176.151 176.151 175.578 0.573 25454 6503 1 15 . 1 1 64 64 LYS CA C 64 55.660 55.660 55.718 -0.058 25454 6504 1 15 . 1 1 64 64 LYS CB C 64 33.500 33.500 33.013 0.487 25454 6505 1 15 . 1 1 64 64 LYS H H 64 7.628 7.628 7.840 -0.212 25454 6506 1 15 . 1 1 65 65 ASN N N 65 120.139 120.139 118.382 1.757 25454 6507 1 15 . 1 1 65 65 ASN HA H 65 4.807 4.807 4.715 0.092 25454 6508 1 15 . 1 1 65 65 ASN CA C 65 54.070 54.070 52.713 1.357 25454 6509 1 15 . 1 1 65 65 ASN CB C 65 38.070 38.070 39.377 -1.308 25454 6510 1 15 . 1 1 65 65 ASN H H 65 8.936 8.936 8.611 0.325 25454 6511 1 15 . 1 1 66 66 LEU N N 66 129.960 129.960 129.717 0.243 25454 6512 1 15 . 1 1 66 66 LEU HA H 66 4.165 4.165 3.470 0.695 25454 6513 1 15 . 1 1 66 66 LEU C C 66 176.948 176.948 177.817 -0.869 25454 6514 1 15 . 1 1 66 66 LEU CA C 66 59.220 59.220 57.547 1.673 25454 6515 1 15 . 1 1 66 66 LEU CB C 66 42.830 42.830 41.949 0.881 25454 6516 1 15 . 1 1 66 66 LEU H H 66 8.939 8.939 8.809 0.130 25454 6517 1 15 . 1 1 67 67 TYR N N 67 115.770 115.770 116.125 -0.355 25454 6518 1 15 . 1 1 67 67 TYR HA H 67 4.077 4.077 4.290 -0.213 25454 6519 1 15 . 1 1 67 67 TYR C C 67 178.731 178.731 178.289 0.442 25454 6520 1 15 . 1 1 67 67 TYR CA C 67 61.277 61.277 57.520 3.757 25454 6521 1 15 . 1 1 67 67 TYR CB C 67 36.768 36.768 37.217 -0.448 25454 6522 1 15 . 1 1 67 67 TYR H H 67 9.409 9.409 7.983 1.426 25454 6523 1 15 . 1 1 68 68 THR N N 68 112.470 112.470 116.609 -4.139 25454 6524 1 15 . 1 1 68 68 THR HA H 68 4.268 4.268 4.075 0.193 25454 6525 1 15 . 1 1 68 68 THR C C 68 176.104 176.104 176.780 -0.676 25454 6526 1 15 . 1 1 68 68 THR CA C 68 64.650 64.650 65.942 -1.292 25454 6527 1 15 . 1 1 68 68 THR CB C 68 70.268 70.268 68.271 1.997 25454 6528 1 15 . 1 1 68 68 THR H H 68 8.076 8.076 8.595 -0.519 25454 6529 1 15 . 1 1 69 69 PHE N N 69 123.660 123.660 120.645 3.015 25454 6530 1 15 . 1 1 69 69 PHE HA H 69 2.811 2.811 4.502 -1.691 25454 6531 1 15 . 1 1 69 69 PHE C C 69 176.290 176.290 177.327 -1.037 25454 6532 1 15 . 1 1 69 69 PHE CA C 69 61.510 61.510 57.473 4.037 25454 6533 1 15 . 1 1 69 69 PHE CB C 69 39.610 39.610 37.862 1.748 25454 6534 1 15 . 1 1 69 69 PHE H H 69 7.969 7.969 8.124 -0.155 25454 6535 1 15 . 1 1 70 70 LYS N N 70 113.530 113.530 120.788 -7.258 25454 6536 1 15 . 1 1 70 70 LYS HA H 70 3.757 3.757 4.024 -0.267 25454 6537 1 15 . 1 1 70 70 LYS C C 70 176.269 176.269 178.486 -2.217 25454 6538 1 15 . 1 1 70 70 LYS CA C 70 57.840 57.840 57.910 -0.070 25454 6539 1 15 . 1 1 70 70 LYS CB C 70 32.520 32.520 31.971 0.548 25454 6540 1 15 . 1 1 70 70 LYS H H 70 6.957 6.957 7.838 -0.881 25454 6541 1 15 . 1 1 71 71 ASN N N 71 117.360 117.360 115.691 1.669 25454 6542 1 15 . 1 1 71 71 ASN HA H 71 4.652 4.652 4.566 0.086 25454 6543 1 15 . 1 1 71 71 ASN C C 71 175.155 175.155 176.174 -1.019 25454 6544 1 15 . 1 1 71 71 ASN CA C 71 53.273 53.273 54.608 -1.335 25454 6545 1 15 . 1 1 71 71 ASN CB C 71 38.870 38.870 38.264 0.606 25454 6546 1 15 . 1 1 71 71 ASN H H 71 7.488 7.488 7.952 -0.464 25454 6547 1 15 . 1 1 72 72 GLN N N 72 119.610 119.610 117.381 2.229 25454 6548 1 15 . 1 1 72 72 GLN HA H 72 4.202 4.202 4.203 -0.001 25454 6549 1 15 . 1 1 72 72 GLN C C 72 179.467 179.467 175.668 3.799 25454 6550 1 15 . 1 1 72 72 GLN CA C 72 56.160 56.160 57.060 -0.900 25454 6551 1 15 . 1 1 72 72 GLN CB C 72 29.460 29.460 29.011 0.449 25454 6552 1 15 . 1 1 72 72 GLN H H 72 7.611 7.611 7.668 -0.057 25454 6553 1 15 . 1 1 73 73 ALA N N 73 125.130 125.130 122.448 2.682 25454 6554 1 15 . 1 1 73 73 ALA HA H 73 4.198 4.198 4.302 -0.104 25454 6555 1 15 . 1 1 73 73 ALA C C 73 177.907 177.907 176.808 1.099 25454 6556 1 15 . 1 1 73 73 ALA CA C 73 52.761 52.761 51.408 1.353 25454 6557 1 15 . 1 1 73 73 ALA CB C 73 19.028 19.028 20.238 -1.210 25454 6558 1 15 . 1 1 73 73 ALA H H 73 8.072 8.072 7.476 0.596 25454 6559 1 15 . 1 1 74 74 SER N N 74 115.100 115.100 114.353 0.747 25454 6560 1 15 . 1 1 74 74 SER HA H 74 4.344 4.344 4.037 0.307 25454 6561 1 15 . 1 1 74 74 SER C C 74 174.562 174.562 174.176 0.386 25454 6562 1 15 . 1 1 74 74 SER CA C 74 58.640 58.640 58.513 0.127 25454 6563 1 15 . 1 1 74 74 SER CB C 74 63.660 63.660 61.757 1.903 25454 6564 1 15 . 1 1 74 74 SER H H 74 8.114 8.114 8.450 -0.336 25454 6565 1 15 . 1 1 75 75 ASN N N 75 120.950 120.950 119.350 1.600 25454 6566 1 15 . 1 1 75 75 ASN HA H 75 4.698 4.698 4.478 0.220 25454 6567 1 15 . 1 1 75 75 ASN C C 75 174.790 174.790 175.989 -1.199 25454 6568 1 15 . 1 1 75 75 ASN CA C 75 53.340 53.340 55.658 -2.318 25454 6569 1 15 . 1 1 75 75 ASN CB C 75 38.980 38.980 39.002 -0.022 25454 6570 1 15 . 1 1 75 75 ASN H H 75 8.283 8.283 8.300 -0.017 25454 6571 1 15 . 1 1 76 76 ASP N N 76 120.550 120.550 118.445 2.105 25454 6572 1 15 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.571 0.032 25454 6573 1 15 . 1 1 76 76 ASP C C 76 175.588 175.588 176.165 -0.577 25454 6574 1 15 . 1 1 76 76 ASP CA C 76 53.940 53.940 54.450 -0.510 25454 6575 1 15 . 1 1 76 76 ASP CB C 76 40.510 40.510 41.522 -1.012 25454 6576 1 15 . 1 1 76 76 ASP H H 76 8.201 8.201 8.697 -0.496 25454 6577 1 15 . 1 1 77 77 LEU N N 77 123.780 123.780 120.194 3.586 25454 6578 1 15 . 1 1 77 77 LEU HA H 77 4.600 4.600 4.583 0.017 25454 6579 1 15 . 1 1 77 77 LEU CA C 77 52.980 52.980 52.107 0.873 25454 6580 1 15 . 1 1 77 77 LEU CB C 77 41.850 41.850 39.568 2.282 25454 6581 1 15 . 1 1 77 77 LEU H H 77 8.021 8.021 7.907 0.114 25454 6582 1 15 . 1 1 78 78 PRO HA H 78 4.417 4.417 4.644 -0.227 25454 6583 1 15 . 1 1 78 78 PRO C C 78 176.058 176.058 176.564 -0.506 25454 6584 1 15 . 1 1 78 78 PRO CA C 78 63.260 63.260 61.825 1.435 25454 6585 1 15 . 1 1 78 78 PRO CB C 78 31.956 31.956 32.948 -0.992 25454 6586 1 16 . 1 1 2 2 ASN N N 2 118.440 118.440 117.586 0.854 25454 6587 1 16 . 1 1 2 2 ASN HA H 2 4.660 4.660 4.584 0.076 25454 6588 1 16 . 1 1 2 2 ASN C C 2 174.884 174.884 175.284 -0.400 25454 6589 1 16 . 1 1 2 2 ASN CA C 2 53.730 53.730 53.297 0.433 25454 6590 1 16 . 1 1 2 2 ASN CB C 2 38.500 38.500 38.346 0.154 25454 6591 1 16 . 1 1 2 2 ASN H H 2 8.869 8.869 8.404 0.465 25454 6592 1 16 . 1 1 3 3 GLU N N 3 121.390 121.390 119.637 1.753 25454 6593 1 16 . 1 1 3 3 GLU HA H 3 4.416 4.416 4.158 0.258 25454 6594 1 16 . 1 1 3 3 GLU C C 3 175.916 175.916 176.271 -0.355 25454 6595 1 16 . 1 1 3 3 GLU CA C 3 56.300 56.300 56.807 -0.507 25454 6596 1 16 . 1 1 3 3 GLU CB C 3 29.810 29.810 29.931 -0.121 25454 6597 1 16 . 1 1 3 3 GLU H H 3 8.560 8.560 8.573 -0.013 25454 6598 1 16 . 1 1 4 4 SER N N 4 118.190 118.190 113.410 4.780 25454 6599 1 16 . 1 1 4 4 SER HA H 4 4.716 4.716 4.228 0.488 25454 6600 1 16 . 1 1 4 4 SER C C 4 175.686 175.686 175.138 0.548 25454 6601 1 16 . 1 1 4 4 SER CA C 4 57.890 57.890 57.532 0.358 25454 6602 1 16 . 1 1 4 4 SER CB C 4 65.080 65.080 62.857 2.223 25454 6603 1 16 . 1 1 4 4 SER H H 4 8.802 8.802 7.850 0.952 25454 6604 1 16 . 1 1 5 5 ALA N N 5 128.990 128.990 129.146 -0.156 25454 6605 1 16 . 1 1 5 5 ALA HA H 5 4.142 4.142 4.122 0.020 25454 6606 1 16 . 1 1 5 5 ALA C C 5 179.112 179.112 178.996 0.116 25454 6607 1 16 . 1 1 5 5 ALA CA C 5 55.880 55.880 54.657 1.224 25454 6608 1 16 . 1 1 5 5 ALA CB C 5 18.110 18.110 19.038 -0.927 25454 6609 1 16 . 1 1 5 5 ALA H H 5 8.992 8.992 9.009 -0.017 25454 6610 1 16 . 1 1 6 6 LYS N N 6 114.810 114.810 115.476 -0.666 25454 6611 1 16 . 1 1 6 6 LYS HA H 6 3.221 3.221 3.102 0.119 25454 6612 1 16 . 1 1 6 6 LYS C C 6 177.448 177.448 176.898 0.550 25454 6613 1 16 . 1 1 6 6 LYS CA C 6 57.740 57.740 58.137 -0.397 25454 6614 1 16 . 1 1 6 6 LYS CB C 6 31.830 31.830 31.908 -0.078 25454 6615 1 16 . 1 1 6 6 LYS H H 6 7.776 7.776 7.867 -0.091 25454 6616 1 16 . 1 1 7 7 ASP N N 7 119.190 119.190 116.440 2.750 25454 6617 1 16 . 1 1 7 7 ASP HA H 7 4.748 4.748 4.824 -0.076 25454 6618 1 16 . 1 1 7 7 ASP C C 7 176.254 176.254 175.256 0.998 25454 6619 1 16 . 1 1 7 7 ASP CA C 7 53.800 53.800 52.720 1.080 25454 6620 1 16 . 1 1 7 7 ASP CB C 7 41.560 41.560 41.628 -0.068 25454 6621 1 16 . 1 1 7 7 ASP H H 7 7.744 7.744 7.659 0.085 25454 6622 1 16 . 1 1 8 8 MET N N 8 122.540 122.540 121.290 1.250 25454 6623 1 16 . 1 1 8 8 MET HA H 8 4.502 4.502 4.474 0.028 25454 6624 1 16 . 1 1 8 8 MET C C 8 176.932 176.932 175.857 1.075 25454 6625 1 16 . 1 1 8 8 MET CA C 8 56.390 56.390 56.486 -0.096 25454 6626 1 16 . 1 1 8 8 MET CB C 8 35.300 35.300 33.175 2.125 25454 6627 1 16 . 1 1 8 8 MET H H 8 7.925 7.925 7.332 0.593 25454 6628 1 16 . 1 1 9 9 THR N N 9 121.410 121.410 121.936 -0.526 25454 6629 1 16 . 1 1 9 9 THR HA H 9 4.794 4.794 4.367 0.427 25454 6630 1 16 . 1 1 9 9 THR C C 9 176.198 176.198 175.243 0.955 25454 6631 1 16 . 1 1 9 9 THR CA C 9 61.960 61.960 62.833 -0.873 25454 6632 1 16 . 1 1 9 9 THR CB C 9 72.200 72.200 70.320 1.880 25454 6633 1 16 . 1 1 9 9 THR H H 9 9.927 9.927 8.252 1.675 25454 6634 1 16 . 1 1 10 10 CYS N N 10 121.150 121.150 126.081 -4.931 25454 6635 1 16 . 1 1 10 10 CYS HA H 10 4.685 4.685 4.273 0.412 25454 6636 1 16 . 1 1 10 10 CYS C C 10 177.324 177.324 176.907 0.417 25454 6637 1 16 . 1 1 10 10 CYS CA C 10 56.970 56.970 62.367 -5.397 25454 6638 1 16 . 1 1 10 10 CYS CB C 10 32.440 32.440 25.792 6.648 25454 6639 1 16 . 1 1 10 10 CYS H H 10 9.765 9.765 8.813 0.952 25454 6640 1 16 . 1 1 11 11 GLN N N 11 121.360 121.360 119.785 1.575 25454 6641 1 16 . 1 1 11 11 GLN HA H 11 3.894 3.894 4.113 -0.219 25454 6642 1 16 . 1 1 11 11 GLN C C 11 176.902 176.902 177.562 -0.660 25454 6643 1 16 . 1 1 11 11 GLN CA C 11 58.680 58.680 58.490 0.190 25454 6644 1 16 . 1 1 11 11 GLN CB C 11 28.900 28.900 28.197 0.703 25454 6645 1 16 . 1 1 11 11 GLN H H 11 8.583 8.583 8.298 0.285 25454 6646 1 16 . 1 1 12 12 GLU N N 12 117.090 117.090 119.408 -2.318 25454 6647 1 16 . 1 1 12 12 GLU HA H 12 3.983 3.983 4.159 -0.176 25454 6648 1 16 . 1 1 12 12 GLU C C 12 179.763 179.763 178.912 0.851 25454 6649 1 16 . 1 1 12 12 GLU CA C 12 59.528 59.528 57.767 1.761 25454 6650 1 16 . 1 1 12 12 GLU CB C 12 31.830 31.830 29.878 1.952 25454 6651 1 16 . 1 1 12 12 GLU H H 12 7.867 7.867 7.705 0.162 25454 6652 1 16 . 1 1 13 13 PHE N N 13 119.630 119.630 122.253 -2.623 25454 6653 1 16 . 1 1 13 13 PHE HA H 13 4.269 4.269 4.258 0.011 25454 6654 1 16 . 1 1 13 13 PHE C C 13 176.432 176.432 178.043 -1.611 25454 6655 1 16 . 1 1 13 13 PHE CA C 13 61.150 61.150 61.400 -0.250 25454 6656 1 16 . 1 1 13 13 PHE CB C 13 39.520 39.520 39.654 -0.134 25454 6657 1 16 . 1 1 13 13 PHE H H 13 8.182 8.182 8.568 -0.386 25454 6658 1 16 . 1 1 14 14 ILE N N 14 114.180 114.180 114.013 0.167 25454 6659 1 16 . 1 1 14 14 ILE HA H 14 3.761 3.761 3.862 -0.101 25454 6660 1 16 . 1 1 14 14 ILE C C 14 177.089 177.089 175.872 1.217 25454 6661 1 16 . 1 1 14 14 ILE CA C 14 63.030 63.030 63.264 -0.234 25454 6662 1 16 . 1 1 14 14 ILE CB C 14 36.740 36.740 37.226 -0.486 25454 6663 1 16 . 1 1 14 14 ILE H H 14 8.191 8.191 8.056 0.135 25454 6664 1 16 . 1 1 15 15 ASP N N 15 120.260 120.260 119.256 1.004 25454 6665 1 16 . 1 1 15 15 ASP HA H 15 4.716 4.716 4.743 -0.027 25454 6666 1 16 . 1 1 15 15 ASP C C 15 174.697 174.697 176.271 -1.574 25454 6667 1 16 . 1 1 15 15 ASP CA C 15 54.080 54.080 53.695 0.385 25454 6668 1 16 . 1 1 15 15 ASP CB C 15 40.810 40.810 42.602 -1.792 25454 6669 1 16 . 1 1 15 15 ASP H H 15 7.478 7.478 7.729 -0.251 25454 6670 1 16 . 1 1 16 16 LEU N N 16 122.985 122.985 119.576 3.409 25454 6671 1 16 . 1 1 16 16 LEU HA H 16 4.067 4.067 4.253 -0.186 25454 6672 1 16 . 1 1 16 16 LEU C C 16 176.710 176.710 176.213 0.497 25454 6673 1 16 . 1 1 16 16 LEU CA C 16 55.028 55.028 55.333 -0.305 25454 6674 1 16 . 1 1 16 16 LEU CB C 16 43.370 43.370 42.578 0.792 25454 6675 1 16 . 1 1 16 16 LEU H H 16 7.226 7.226 7.325 -0.099 25454 6676 1 16 . 1 1 17 17 ASN N N 17 119.620 119.620 120.286 -0.666 25454 6677 1 16 . 1 1 17 17 ASN HA H 17 4.634 4.634 4.808 -0.174 25454 6678 1 16 . 1 1 17 17 ASN CA C 17 52.048 52.048 51.328 0.720 25454 6679 1 16 . 1 1 17 17 ASN CB C 17 39.480 39.480 38.476 1.004 25454 6680 1 16 . 1 1 17 17 ASN H H 17 7.265 7.265 8.375 -1.110 25454 6681 1 16 . 1 1 18 18 PRO HA H 18 4.137 4.137 4.082 0.055 25454 6682 1 16 . 1 1 18 18 PRO C C 18 179.247 179.247 178.500 0.747 25454 6683 1 16 . 1 1 18 18 PRO CA C 18 65.370 65.370 65.263 0.107 25454 6684 1 16 . 1 1 18 18 PRO CB C 18 32.610 32.610 31.912 0.698 25454 6685 1 16 . 1 1 19 19 LYS N N 19 116.450 116.450 117.413 -0.963 25454 6686 1 16 . 1 1 19 19 LYS HA H 19 3.856 3.856 4.060 -0.204 25454 6687 1 16 . 1 1 19 19 LYS C C 19 176.995 176.995 177.576 -0.581 25454 6688 1 16 . 1 1 19 19 LYS CA C 19 59.080 59.080 58.485 0.595 25454 6689 1 16 . 1 1 19 19 LYS CB C 19 34.940 34.940 32.346 2.594 25454 6690 1 16 . 1 1 19 19 LYS H H 19 8.445 8.445 8.800 -0.355 25454 6691 1 16 . 1 1 20 20 ALA N N 20 116.170 116.170 119.337 -3.167 25454 6692 1 16 . 1 1 20 20 ALA HA H 20 4.255 4.255 4.638 -0.383 25454 6693 1 16 . 1 1 20 20 ALA C C 20 177.511 177.511 176.963 0.548 25454 6694 1 16 . 1 1 20 20 ALA CA C 20 51.640 51.640 51.504 0.136 25454 6695 1 16 . 1 1 20 20 ALA CB C 20 21.660 21.660 19.150 2.510 25454 6696 1 16 . 1 1 20 20 ALA H H 20 8.400 8.400 7.904 0.496 25454 6697 1 16 . 1 1 21 21 MET N N 21 117.850 117.850 121.201 -3.351 25454 6698 1 16 . 1 1 21 21 MET HA H 21 3.645 3.645 3.940 -0.295 25454 6699 1 16 . 1 1 21 21 MET C C 21 177.511 177.511 177.934 -0.423 25454 6700 1 16 . 1 1 21 21 MET CA C 21 61.418 61.418 60.196 1.222 25454 6701 1 16 . 1 1 21 21 MET CB C 21 33.220 33.220 32.677 0.543 25454 6702 1 16 . 1 1 21 21 MET H H 21 7.206 7.206 7.867 -0.661 25454 6703 1 16 . 1 1 22 22 THR N N 22 114.690 114.690 114.896 -0.206 25454 6704 1 16 . 1 1 22 22 THR HA H 22 4.115 4.115 4.122 -0.007 25454 6705 1 16 . 1 1 22 22 THR CA C 22 69.550 69.550 68.062 1.488 25454 6706 1 16 . 1 1 22 22 THR CB C 22 65.700 65.700 66.249 -0.549 25454 6707 1 16 . 1 1 22 22 THR H H 22 8.695 8.695 8.136 0.559 25454 6708 1 16 . 1 1 23 23 PRO HA H 23 3.550 3.550 4.382 -0.832 25454 6709 1 16 . 1 1 23 23 PRO C C 23 178.637 178.637 178.770 -0.133 25454 6710 1 16 . 1 1 23 23 PRO CA C 23 65.770 65.770 65.785 -0.015 25454 6711 1 16 . 1 1 23 23 PRO CB C 23 31.182 31.182 31.063 0.119 25454 6712 1 16 . 1 1 24 24 VAL N N 24 115.820 115.820 119.966 -4.146 25454 6713 1 16 . 1 1 24 24 VAL HA H 24 3.675 3.675 4.073 -0.398 25454 6714 1 16 . 1 1 24 24 VAL C C 24 177.464 177.464 177.574 -0.110 25454 6715 1 16 . 1 1 24 24 VAL CA C 24 67.490 67.490 65.015 2.475 25454 6716 1 16 . 1 1 24 24 VAL CB C 24 31.970 31.970 31.399 0.571 25454 6717 1 16 . 1 1 24 24 VAL H H 24 7.441 7.441 7.760 -0.319 25454 6718 1 16 . 1 1 25 25 ALA N N 25 122.670 122.670 122.333 0.337 25454 6719 1 16 . 1 1 25 25 ALA HA H 25 3.783 3.783 4.306 -0.523 25454 6720 1 16 . 1 1 25 25 ALA C C 25 178.497 178.497 178.771 -0.274 25454 6721 1 16 . 1 1 25 25 ALA CA C 25 55.620 55.620 54.994 0.626 25454 6722 1 16 . 1 1 25 25 ALA CB C 25 18.852 18.852 18.598 0.254 25454 6723 1 16 . 1 1 25 25 ALA H H 25 8.805 8.805 8.650 0.155 25454 6724 1 16 . 1 1 26 26 TRP N N 26 118.270 118.270 120.353 -2.083 25454 6725 1 16 . 1 1 26 26 TRP HA H 26 3.709 3.709 4.664 -0.955 25454 6726 1 16 . 1 1 26 26 TRP C C 26 178.309 178.309 176.965 1.344 25454 6727 1 16 . 1 1 26 26 TRP CA C 26 63.940 63.940 60.091 3.849 25454 6728 1 16 . 1 1 26 26 TRP CB C 26 29.740 29.740 30.912 -1.172 25454 6729 1 16 . 1 1 26 26 TRP H H 26 9.181 9.181 7.873 1.308 25454 6730 1 16 . 1 1 27 27 TRP N N 27 119.740 119.740 122.556 -2.816 25454 6731 1 16 . 1 1 27 27 TRP HA H 27 4.118 4.118 4.165 -0.047 25454 6732 1 16 . 1 1 27 27 TRP C C 27 177.511 177.511 177.826 -0.315 25454 6733 1 16 . 1 1 27 27 TRP CA C 27 60.588 60.588 58.554 2.034 25454 6734 1 16 . 1 1 27 27 TRP CB C 27 30.021 30.021 29.535 0.486 25454 6735 1 16 . 1 1 27 27 TRP H H 27 8.527 8.527 9.050 -0.523 25454 6736 1 16 . 1 1 28 28 MET N N 28 119.130 119.130 118.499 0.631 25454 6737 1 16 . 1 1 28 28 MET HA H 28 3.618 3.618 3.531 0.087 25454 6738 1 16 . 1 1 28 28 MET C C 28 177.587 177.587 177.054 0.533 25454 6739 1 16 . 1 1 28 28 MET CA C 28 58.540 58.540 57.832 0.708 25454 6740 1 16 . 1 1 28 28 MET CB C 28 29.392 29.392 31.517 -2.125 25454 6741 1 16 . 1 1 28 28 MET H H 28 7.756 7.756 7.856 -0.100 25454 6742 1 16 . 1 1 29 29 LEU N N 29 117.820 117.820 117.127 0.693 25454 6743 1 16 . 1 1 29 29 LEU HA H 29 3.559 3.559 4.036 -0.477 25454 6744 1 16 . 1 1 29 29 LEU C C 29 179.417 179.417 176.321 3.096 25454 6745 1 16 . 1 1 29 29 LEU CA C 29 57.043 57.043 55.846 1.197 25454 6746 1 16 . 1 1 29 29 LEU CB C 29 42.676 42.676 42.819 -0.143 25454 6747 1 16 . 1 1 29 29 LEU H H 29 7.838 7.838 7.408 0.430 25454 6748 1 16 . 1 1 30 30 HIS N N 30 113.790 113.790 116.248 -2.458 25454 6749 1 16 . 1 1 30 30 HIS HA H 30 4.059 4.059 5.108 -1.049 25454 6750 1 16 . 1 1 30 30 HIS C C 30 176.289 176.289 174.384 1.905 25454 6751 1 16 . 1 1 30 30 HIS CA C 30 56.030 56.030 54.139 1.891 25454 6752 1 16 . 1 1 30 30 HIS CB C 30 29.216 29.216 30.257 -1.041 25454 6753 1 16 . 1 1 30 30 HIS H H 30 7.757 7.757 7.928 -0.171 25454 6754 1 16 . 1 1 31 31 GLU N N 31 125.870 125.870 124.260 1.610 25454 6755 1 16 . 1 1 31 31 GLU HA H 31 4.450 4.450 4.291 0.159 25454 6756 1 16 . 1 1 31 31 GLU C C 31 176.775 176.775 178.256 -1.481 25454 6757 1 16 . 1 1 31 31 GLU CA C 31 56.160 56.160 56.262 -0.102 25454 6758 1 16 . 1 1 31 31 GLU CB C 31 28.386 28.386 30.957 -2.571 25454 6759 1 16 . 1 1 31 31 GLU H H 31 8.916 8.916 7.930 0.986 25454 6760 1 16 . 1 1 32 32 GLU N N 32 116.185 116.185 119.534 -3.349 25454 6761 1 16 . 1 1 32 32 GLU HA H 32 3.563 3.563 4.418 -0.855 25454 6762 1 16 . 1 1 32 32 GLU C C 32 174.994 174.994 176.517 -1.523 25454 6763 1 16 . 1 1 32 32 GLU CA C 32 58.090 58.090 57.130 0.960 25454 6764 1 16 . 1 1 32 32 GLU CB C 32 26.783 26.783 27.938 -1.155 25454 6765 1 16 . 1 1 32 32 GLU H H 32 9.330 9.330 8.539 0.791 25454 6766 1 16 . 1 1 33 33 THR N N 33 110.202 110.202 115.831 -5.629 25454 6767 1 16 . 1 1 33 33 THR HA H 33 4.696 4.696 4.178 0.518 25454 6768 1 16 . 1 1 33 33 THR C C 33 173.529 173.529 175.034 -1.505 25454 6769 1 16 . 1 1 33 33 THR CA C 33 60.129 60.129 62.245 -2.115 25454 6770 1 16 . 1 1 33 33 THR CB C 33 71.864 71.864 69.534 2.329 25454 6771 1 16 . 1 1 33 33 THR H H 33 7.620 7.620 7.557 0.063 25454 6772 1 16 . 1 1 34 34 VAL N N 34 121.967 121.967 128.021 -6.054 25454 6773 1 16 . 1 1 34 34 VAL HA H 34 4.139 4.139 4.106 0.033 25454 6774 1 16 . 1 1 34 34 VAL C C 34 172.579 172.579 175.320 -2.741 25454 6775 1 16 . 1 1 34 34 VAL CA C 34 63.032 63.032 62.626 0.406 25454 6776 1 16 . 1 1 34 34 VAL CB C 34 32.594 32.594 32.255 0.340 25454 6777 1 16 . 1 1 34 34 VAL H H 34 8.308 8.308 8.261 0.047 25454 6778 1 16 . 1 1 35 35 TYR N N 35 129.550 129.550 127.564 1.986 25454 6779 1 16 . 1 1 35 35 TYR HA H 35 4.562 4.562 4.436 0.126 25454 6780 1 16 . 1 1 35 35 TYR CA C 35 58.660 58.660 58.847 -0.187 25454 6781 1 16 . 1 1 35 35 TYR CB C 35 39.520 39.520 39.657 -0.137 25454 6782 1 16 . 1 1 35 35 TYR H H 35 8.610 8.610 8.583 0.027 25454 6783 1 16 . 1 1 36 36 LYS N N 36 129.360 129.360 122.687 6.673 25454 6784 1 16 . 1 1 36 36 LYS HA H 36 4.411 4.411 4.575 -0.164 25454 6785 1 16 . 1 1 36 36 LYS CA C 36 55.626 55.626 55.592 0.034 25454 6786 1 16 . 1 1 36 36 LYS CB C 36 32.790 32.790 34.869 -2.079 25454 6787 1 16 . 1 1 36 36 LYS H H 36 8.509 8.509 8.587 -0.078 25454 6788 1 16 . 1 1 37 37 GLY N N 37 109.150 109.150 108.298 0.852 25454 6789 1 16 . 1 1 37 37 GLY C C 37 174.428 174.428 173.886 0.542 25454 6790 1 16 . 1 1 37 37 GLY CA C 37 46.427 46.427 45.428 0.999 25454 6791 1 16 . 1 1 37 37 GLY H H 37 6.819 6.819 8.745 -1.926 25454 6792 1 16 . 1 1 38 38 GLY N N 38 110.780 110.780 106.575 4.205 25454 6793 1 16 . 1 1 38 38 GLY C C 38 174.108 174.108 172.868 1.240 25454 6794 1 16 . 1 1 38 38 GLY CA C 38 44.972 44.972 45.663 -0.691 25454 6795 1 16 . 1 1 38 38 GLY H H 38 8.365 8.365 7.980 0.385 25454 6796 1 16 . 1 1 39 39 ASP N N 39 120.800 120.800 120.544 0.256 25454 6797 1 16 . 1 1 39 39 ASP HA H 39 4.789 4.789 4.803 -0.014 25454 6798 1 16 . 1 1 39 39 ASP C C 39 177.820 177.820 176.241 1.579 25454 6799 1 16 . 1 1 39 39 ASP CA C 39 55.340 55.340 54.647 0.694 25454 6800 1 16 . 1 1 39 39 ASP CB C 39 41.150 41.150 41.627 -0.477 25454 6801 1 16 . 1 1 39 39 ASP H H 39 8.476 8.476 8.592 -0.116 25454 6802 1 16 . 1 1 40 40 THR N N 40 111.201 111.201 112.602 -1.401 25454 6803 1 16 . 1 1 40 40 THR HA H 40 3.753 3.753 4.201 -0.448 25454 6804 1 16 . 1 1 40 40 THR C C 40 175.526 175.526 175.661 -0.135 25454 6805 1 16 . 1 1 40 40 THR CA C 40 60.300 60.300 61.324 -1.024 25454 6806 1 16 . 1 1 40 40 THR CB C 40 71.278 71.278 67.379 3.899 25454 6807 1 16 . 1 1 40 40 THR H H 40 8.132 8.132 8.282 -0.150 25454 6808 1 16 . 1 1 41 41 VAL N N 41 125.014 125.014 118.699 6.315 25454 6809 1 16 . 1 1 41 41 VAL HA H 41 3.831 3.831 3.325 0.506 25454 6810 1 16 . 1 1 41 41 VAL C C 41 174.100 174.100 176.725 -2.625 25454 6811 1 16 . 1 1 41 41 VAL CA C 41 63.988 63.988 63.447 0.541 25454 6812 1 16 . 1 1 41 41 VAL CB C 41 30.465 30.465 29.941 0.524 25454 6813 1 16 . 1 1 41 41 VAL H H 41 8.278 8.278 7.260 1.018 25454 6814 1 16 . 1 1 42 42 THR N N 42 121.970 121.970 115.552 6.418 25454 6815 1 16 . 1 1 42 42 THR HA H 42 4.603 4.603 3.876 0.727 25454 6816 1 16 . 1 1 42 42 THR C C 42 172.978 172.978 174.630 -1.652 25454 6817 1 16 . 1 1 42 42 THR CA C 42 60.166 60.166 64.132 -3.966 25454 6818 1 16 . 1 1 42 42 THR CB C 42 70.588 70.588 69.323 1.265 25454 6819 1 16 . 1 1 42 42 THR H H 42 7.849 7.849 7.774 0.075 25454 6820 1 16 . 1 1 43 43 LEU N N 43 122.979 122.979 126.480 -3.501 25454 6821 1 16 . 1 1 43 43 LEU HA H 43 5.041 5.041 4.500 0.541 25454 6822 1 16 . 1 1 43 43 LEU CA C 43 55.072 55.072 55.264 -0.192 25454 6823 1 16 . 1 1 43 43 LEU CB C 43 42.661 42.661 41.760 0.901 25454 6824 1 16 . 1 1 43 43 LEU H H 43 8.310 8.310 8.402 -0.092 25454 6825 1 16 . 1 1 44 44 ASN N N 44 124.579 124.579 125.738 -1.159 25454 6826 1 16 . 1 1 44 44 ASN HA H 44 5.135 5.135 5.037 0.099 25454 6827 1 16 . 1 1 44 44 ASN C C 44 175.736 175.736 175.541 0.195 25454 6828 1 16 . 1 1 44 44 ASN CA C 44 50.814 50.814 52.075 -1.261 25454 6829 1 16 . 1 1 44 44 ASN CB C 44 40.280 40.280 40.188 0.092 25454 6830 1 16 . 1 1 44 44 ASN H H 44 9.542 9.542 9.142 0.400 25454 6831 1 16 . 1 1 45 45 GLU N N 45 118.210 118.210 118.836 -0.626 25454 6832 1 16 . 1 1 45 45 GLU HA H 45 4.088 4.088 4.056 0.032 25454 6833 1 16 . 1 1 45 45 GLU C C 45 179.010 179.010 178.779 0.231 25454 6834 1 16 . 1 1 45 45 GLU CA C 45 60.349 60.349 60.055 0.294 25454 6835 1 16 . 1 1 45 45 GLU CB C 45 28.908 28.908 29.436 -0.528 25454 6836 1 16 . 1 1 45 45 GLU H H 45 8.752 8.752 9.010 -0.258 25454 6837 1 16 . 1 1 46 46 THR N N 46 116.430 116.430 115.829 0.601 25454 6838 1 16 . 1 1 46 46 THR HA H 46 4.114 4.114 4.036 0.078 25454 6839 1 16 . 1 1 46 46 THR C C 46 176.994 176.994 176.063 0.931 25454 6840 1 16 . 1 1 46 46 THR CA C 46 66.260 66.260 67.263 -1.003 25454 6841 1 16 . 1 1 46 46 THR CB C 46 68.270 68.270 68.384 -0.114 25454 6842 1 16 . 1 1 46 46 THR H H 46 8.043 8.043 7.877 0.166 25454 6843 1 16 . 1 1 47 47 ASP N N 47 124.380 124.380 122.433 1.947 25454 6844 1 16 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.536 -0.192 25454 6845 1 16 . 1 1 47 47 ASP C C 47 178.914 178.914 178.311 0.603 25454 6846 1 16 . 1 1 47 47 ASP CA C 47 58.630 58.630 57.334 1.296 25454 6847 1 16 . 1 1 47 47 ASP CB C 47 42.350 42.350 40.465 1.885 25454 6848 1 16 . 1 1 47 47 ASP H H 47 8.475 8.475 7.790 0.685 25454 6849 1 16 . 1 1 48 48 LEU N N 48 116.889 116.889 119.481 -2.592 25454 6850 1 16 . 1 1 48 48 LEU HA H 48 4.118 4.118 4.169 -0.051 25454 6851 1 16 . 1 1 48 48 LEU C C 48 175.839 175.839 179.043 -3.204 25454 6852 1 16 . 1 1 48 48 LEU CA C 48 57.432 57.432 57.938 -0.506 25454 6853 1 16 . 1 1 48 48 LEU CB C 48 41.430 41.430 41.683 -0.253 25454 6854 1 16 . 1 1 48 48 LEU H H 48 8.082 8.082 8.299 -0.217 25454 6855 1 16 . 1 1 49 49 THR N N 49 112.550 112.550 115.276 -2.726 25454 6856 1 16 . 1 1 49 49 THR HA H 49 4.310 4.310 4.230 0.080 25454 6857 1 16 . 1 1 49 49 THR C C 49 177.306 177.306 176.513 0.793 25454 6858 1 16 . 1 1 49 49 THR CA C 49 64.520 64.520 65.773 -1.253 25454 6859 1 16 . 1 1 49 49 THR CB C 49 69.525 69.525 68.943 0.582 25454 6860 1 16 . 1 1 49 49 THR H H 49 7.743 7.743 7.792 -0.049 25454 6861 1 16 . 1 1 50 50 GLN N N 50 121.570 121.570 120.841 0.729 25454 6862 1 16 . 1 1 50 50 GLN HA H 50 4.344 4.344 4.324 0.020 25454 6863 1 16 . 1 1 50 50 GLN C C 50 178.308 178.308 178.345 -0.037 25454 6864 1 16 . 1 1 50 50 GLN CA C 50 58.630 58.630 57.400 1.230 25454 6865 1 16 . 1 1 50 50 GLN CB C 50 30.850 30.850 28.439 2.411 25454 6866 1 16 . 1 1 50 50 GLN H H 50 8.519 8.519 8.005 0.514 25454 6867 1 16 . 1 1 51 51 ILE N N 51 120.320 120.320 121.722 -1.402 25454 6868 1 16 . 1 1 51 51 ILE HA H 51 3.573 3.573 4.022 -0.449 25454 6869 1 16 . 1 1 51 51 ILE CA C 51 69.155 69.155 66.279 2.876 25454 6870 1 16 . 1 1 51 51 ILE CB C 51 35.659 35.659 35.755 -0.096 25454 6871 1 16 . 1 1 51 51 ILE H H 51 8.663 8.663 8.856 -0.193 25454 6872 1 16 . 1 1 52 52 PRO HA H 52 4.301 4.301 4.376 -0.075 25454 6873 1 16 . 1 1 52 52 PRO C C 52 179.686 179.686 178.777 0.909 25454 6874 1 16 . 1 1 52 52 PRO CA C 52 66.190 66.190 65.658 0.532 25454 6875 1 16 . 1 1 52 52 PRO CB C 52 31.270 31.270 31.135 0.135 25454 6876 1 16 . 1 1 53 53 LYS N N 53 116.520 116.520 118.258 -1.738 25454 6877 1 16 . 1 1 53 53 LYS HA H 53 4.231 4.231 4.205 0.026 25454 6878 1 16 . 1 1 53 53 LYS C C 53 179.475 179.475 179.063 0.412 25454 6879 1 16 . 1 1 53 53 LYS CA C 53 59.017 59.017 58.577 0.440 25454 6880 1 16 . 1 1 53 53 LYS CB C 53 31.796 31.796 31.881 -0.085 25454 6881 1 16 . 1 1 53 53 LYS H H 53 7.016 7.016 7.556 -0.540 25454 6882 1 16 . 1 1 54 54 VAL N N 54 125.220 125.220 115.878 9.342 25454 6883 1 16 . 1 1 54 54 VAL HA H 54 3.022 3.022 3.994 -0.972 25454 6884 1 16 . 1 1 54 54 VAL C C 54 177.692 177.692 177.529 0.163 25454 6885 1 16 . 1 1 54 54 VAL CA C 54 65.860 65.860 65.156 0.704 25454 6886 1 16 . 1 1 54 54 VAL CB C 54 30.623 30.623 30.866 -0.244 25454 6887 1 16 . 1 1 54 54 VAL H H 54 8.068 8.068 8.388 -0.320 25454 6888 1 16 . 1 1 55 55 ILE N N 55 119.943 119.943 121.818 -1.875 25454 6889 1 16 . 1 1 55 55 ILE HA H 55 3.641 3.641 4.185 -0.544 25454 6890 1 16 . 1 1 55 55 ILE C C 55 177.515 177.515 177.951 -0.436 25454 6891 1 16 . 1 1 55 55 ILE CA C 55 66.896 66.896 65.333 1.563 25454 6892 1 16 . 1 1 55 55 ILE CB C 55 38.500 38.500 38.137 0.363 25454 6893 1 16 . 1 1 55 55 ILE H H 55 7.589 7.589 7.473 0.116 25454 6894 1 16 . 1 1 56 56 GLU N N 56 118.310 118.310 120.814 -2.504 25454 6895 1 16 . 1 1 56 56 GLU HA H 56 4.010 4.010 4.030 -0.020 25454 6896 1 16 . 1 1 56 56 GLU C C 56 178.518 178.518 179.284 -0.766 25454 6897 1 16 . 1 1 56 56 GLU CA C 56 59.603 59.603 59.793 -0.190 25454 6898 1 16 . 1 1 56 56 GLU CB C 56 29.776 29.776 29.657 0.119 25454 6899 1 16 . 1 1 56 56 GLU H H 56 7.794 7.794 8.568 -0.774 25454 6900 1 16 . 1 1 57 57 TYR N N 57 120.510 120.510 119.629 0.881 25454 6901 1 16 . 1 1 57 57 TYR HA H 57 4.239 4.239 4.292 -0.053 25454 6902 1 16 . 1 1 57 57 TYR C C 57 178.919 178.919 177.804 1.115 25454 6903 1 16 . 1 1 57 57 TYR CA C 57 61.600 61.600 59.779 1.821 25454 6904 1 16 . 1 1 57 57 TYR CB C 57 39.060 39.060 37.790 1.270 25454 6905 1 16 . 1 1 57 57 TYR H H 57 8.495 8.495 8.643 -0.148 25454 6906 1 16 . 1 1 58 58 CYS N N 58 117.760 117.760 117.789 -0.029 25454 6907 1 16 . 1 1 58 58 CYS HA H 58 4.685 4.685 4.372 0.313 25454 6908 1 16 . 1 1 58 58 CYS C C 58 177.217 177.217 176.495 0.722 25454 6909 1 16 . 1 1 58 58 CYS CA C 58 52.020 52.020 61.472 -9.452 25454 6910 1 16 . 1 1 58 58 CYS CB C 58 31.667 31.667 27.091 4.576 25454 6911 1 16 . 1 1 58 58 CYS H H 58 8.672 8.672 7.866 0.806 25454 6912 1 16 . 1 1 59 59 LYS N N 59 120.550 120.550 120.377 0.173 25454 6913 1 16 . 1 1 59 59 LYS HA H 59 4.008 4.008 4.145 -0.137 25454 6914 1 16 . 1 1 59 59 LYS C C 59 179.247 179.247 178.325 0.922 25454 6915 1 16 . 1 1 59 59 LYS CA C 59 59.790 59.790 58.756 1.034 25454 6916 1 16 . 1 1 59 59 LYS CB C 59 32.800 32.800 32.163 0.637 25454 6917 1 16 . 1 1 59 59 LYS H H 59 8.481 8.481 8.438 0.043 25454 6918 1 16 . 1 1 60 60 LYS N N 60 116.830 116.830 118.042 -1.212 25454 6919 1 16 . 1 1 60 60 LYS HA H 60 4.166 4.166 4.282 -0.116 25454 6920 1 16 . 1 1 60 60 LYS C C 60 176.432 176.432 177.558 -1.126 25454 6921 1 16 . 1 1 60 60 LYS CA C 60 57.260 57.260 57.900 -0.640 25454 6922 1 16 . 1 1 60 60 LYS CB C 60 33.760 33.760 33.286 0.474 25454 6923 1 16 . 1 1 60 60 LYS H H 60 7.455 7.455 8.009 -0.554 25454 6924 1 16 . 1 1 61 61 ASN N N 61 117.140 117.140 118.819 -1.679 25454 6925 1 16 . 1 1 61 61 ASN HA H 61 4.686 4.686 5.223 -0.537 25454 6926 1 16 . 1 1 61 61 ASN CA C 61 51.300 51.300 50.774 0.526 25454 6927 1 16 . 1 1 61 61 ASN CB C 61 40.208 40.208 39.603 0.605 25454 6928 1 16 . 1 1 61 61 ASN H H 61 7.368 7.368 8.015 -0.647 25454 6929 1 16 . 1 1 62 62 PRO HA H 62 4.227 4.227 4.485 -0.258 25454 6930 1 16 . 1 1 62 62 PRO C C 62 177.511 177.511 177.922 -0.411 25454 6931 1 16 . 1 1 62 62 PRO CA C 62 65.430 65.430 64.807 0.623 25454 6932 1 16 . 1 1 62 62 PRO CB C 62 31.800 31.800 32.156 -0.356 25454 6933 1 16 . 1 1 63 63 GLN N N 63 114.045 114.045 114.971 -0.926 25454 6934 1 16 . 1 1 63 63 GLN HA H 63 4.450 4.450 4.237 0.213 25454 6935 1 16 . 1 1 63 63 GLN C C 63 177.766 177.766 176.071 1.695 25454 6936 1 16 . 1 1 63 63 GLN CA C 63 56.200 56.200 56.711 -0.511 25454 6937 1 16 . 1 1 63 63 GLN CB C 63 28.200 28.200 28.758 -0.558 25454 6938 1 16 . 1 1 63 63 GLN H H 63 8.578 8.578 8.256 0.322 25454 6939 1 16 . 1 1 64 64 LYS N N 64 119.960 119.960 120.101 -0.141 25454 6940 1 16 . 1 1 64 64 LYS HA H 64 4.452 4.452 4.204 0.248 25454 6941 1 16 . 1 1 64 64 LYS C C 64 176.151 176.151 175.242 0.909 25454 6942 1 16 . 1 1 64 64 LYS CA C 64 55.660 55.660 55.782 -0.122 25454 6943 1 16 . 1 1 64 64 LYS CB C 64 33.500 33.500 32.948 0.552 25454 6944 1 16 . 1 1 64 64 LYS H H 64 7.628 7.628 7.611 0.017 25454 6945 1 16 . 1 1 65 65 ASN N N 65 120.139 120.139 118.273 1.866 25454 6946 1 16 . 1 1 65 65 ASN HA H 65 4.807 4.807 4.650 0.157 25454 6947 1 16 . 1 1 65 65 ASN CA C 65 54.070 54.070 52.468 1.602 25454 6948 1 16 . 1 1 65 65 ASN CB C 65 38.070 38.070 39.774 -1.704 25454 6949 1 16 . 1 1 65 65 ASN H H 65 8.936 8.936 8.412 0.524 25454 6950 1 16 . 1 1 66 66 LEU N N 66 129.960 129.960 127.987 1.973 25454 6951 1 16 . 1 1 66 66 LEU HA H 66 4.165 4.165 3.505 0.660 25454 6952 1 16 . 1 1 66 66 LEU C C 66 176.948 176.948 177.598 -0.650 25454 6953 1 16 . 1 1 66 66 LEU CA C 66 59.220 59.220 57.374 1.846 25454 6954 1 16 . 1 1 66 66 LEU CB C 66 42.830 42.830 42.032 0.798 25454 6955 1 16 . 1 1 66 66 LEU H H 66 8.939 8.939 8.581 0.358 25454 6956 1 16 . 1 1 67 67 TYR N N 67 115.770 115.770 115.663 0.107 25454 6957 1 16 . 1 1 67 67 TYR HA H 67 4.077 4.077 4.288 -0.211 25454 6958 1 16 . 1 1 67 67 TYR C C 67 178.731 178.731 177.888 0.843 25454 6959 1 16 . 1 1 67 67 TYR CA C 67 61.277 61.277 58.759 2.518 25454 6960 1 16 . 1 1 67 67 TYR CB C 67 36.768 36.768 37.747 -0.979 25454 6961 1 16 . 1 1 67 67 TYR H H 67 9.409 9.409 8.283 1.126 25454 6962 1 16 . 1 1 68 68 THR N N 68 112.470 112.470 116.514 -4.044 25454 6963 1 16 . 1 1 68 68 THR HA H 68 4.268 4.268 4.035 0.233 25454 6964 1 16 . 1 1 68 68 THR C C 68 176.104 176.104 176.631 -0.527 25454 6965 1 16 . 1 1 68 68 THR CA C 68 64.650 64.650 66.083 -1.433 25454 6966 1 16 . 1 1 68 68 THR CB C 68 70.268 70.268 68.307 1.961 25454 6967 1 16 . 1 1 68 68 THR H H 68 8.076 8.076 8.235 -0.159 25454 6968 1 16 . 1 1 69 69 PHE N N 69 123.660 123.660 120.448 3.212 25454 6969 1 16 . 1 1 69 69 PHE HA H 69 2.811 2.811 4.546 -1.735 25454 6970 1 16 . 1 1 69 69 PHE C C 69 176.290 176.290 176.424 -0.134 25454 6971 1 16 . 1 1 69 69 PHE CA C 69 61.510 61.510 56.802 4.708 25454 6972 1 16 . 1 1 69 69 PHE CB C 69 39.610 39.610 37.397 2.213 25454 6973 1 16 . 1 1 69 69 PHE H H 69 7.969 7.969 7.691 0.278 25454 6974 1 16 . 1 1 70 70 LYS N N 70 113.530 113.530 119.736 -6.206 25454 6975 1 16 . 1 1 70 70 LYS HA H 70 3.757 3.757 4.099 -0.342 25454 6976 1 16 . 1 1 70 70 LYS C C 70 176.269 176.269 178.646 -2.377 25454 6977 1 16 . 1 1 70 70 LYS CA C 70 57.840 57.840 57.540 0.300 25454 6978 1 16 . 1 1 70 70 LYS CB C 70 32.520 32.520 32.364 0.156 25454 6979 1 16 . 1 1 70 70 LYS H H 70 6.957 6.957 7.657 -0.700 25454 6980 1 16 . 1 1 71 71 ASN N N 71 117.360 117.360 119.342 -1.982 25454 6981 1 16 . 1 1 71 71 ASN HA H 71 4.652 4.652 4.552 0.100 25454 6982 1 16 . 1 1 71 71 ASN C C 71 175.155 175.155 177.128 -1.973 25454 6983 1 16 . 1 1 71 71 ASN CA C 71 53.273 53.273 55.420 -2.147 25454 6984 1 16 . 1 1 71 71 ASN CB C 71 38.870 38.870 38.049 0.821 25454 6985 1 16 . 1 1 71 71 ASN H H 71 7.488 7.488 7.967 -0.479 25454 6986 1 16 . 1 1 72 72 GLN N N 72 119.610 119.610 118.257 1.353 25454 6987 1 16 . 1 1 72 72 GLN HA H 72 4.202 4.202 4.300 -0.098 25454 6988 1 16 . 1 1 72 72 GLN C C 72 179.467 179.467 175.965 3.502 25454 6989 1 16 . 1 1 72 72 GLN CA C 72 56.160 56.160 56.655 -0.495 25454 6990 1 16 . 1 1 72 72 GLN CB C 72 29.460 29.460 29.039 0.421 25454 6991 1 16 . 1 1 72 72 GLN H H 72 7.611 7.611 8.318 -0.707 25454 6992 1 16 . 1 1 73 73 ALA N N 73 125.130 125.130 123.883 1.247 25454 6993 1 16 . 1 1 73 73 ALA HA H 73 4.198 4.198 4.650 -0.452 25454 6994 1 16 . 1 1 73 73 ALA C C 73 177.907 177.907 176.050 1.857 25454 6995 1 16 . 1 1 73 73 ALA CA C 73 52.761 52.761 50.875 1.886 25454 6996 1 16 . 1 1 73 73 ALA CB C 73 19.028 19.028 19.100 -0.072 25454 6997 1 16 . 1 1 73 73 ALA H H 73 8.072 8.072 7.389 0.683 25454 6998 1 16 . 1 1 74 74 SER N N 74 115.100 115.100 121.275 -6.175 25454 6999 1 16 . 1 1 74 74 SER HA H 74 4.344 4.344 4.449 -0.105 25454 7000 1 16 . 1 1 74 74 SER C C 74 174.562 174.562 174.462 0.100 25454 7001 1 16 . 1 1 74 74 SER CA C 74 58.640 58.640 57.623 1.017 25454 7002 1 16 . 1 1 74 74 SER CB C 74 63.660 63.660 62.648 1.012 25454 7003 1 16 . 1 1 74 74 SER H H 74 8.114 8.114 8.652 -0.538 25454 7004 1 16 . 1 1 75 75 ASN N N 75 120.950 120.950 119.376 1.574 25454 7005 1 16 . 1 1 75 75 ASN HA H 75 4.698 4.698 4.664 0.034 25454 7006 1 16 . 1 1 75 75 ASN C C 75 174.790 174.790 176.056 -1.266 25454 7007 1 16 . 1 1 75 75 ASN CA C 75 53.340 53.340 53.378 -0.038 25454 7008 1 16 . 1 1 75 75 ASN CB C 75 38.980 38.980 38.688 0.292 25454 7009 1 16 . 1 1 75 75 ASN H H 75 8.283 8.283 7.505 0.778 25454 7010 1 16 . 1 1 76 76 ASP N N 76 120.550 120.550 119.731 0.819 25454 7011 1 16 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.737 -0.134 25454 7012 1 16 . 1 1 76 76 ASP C C 76 175.588 175.588 174.883 0.705 25454 7013 1 16 . 1 1 76 76 ASP CA C 76 53.940 53.940 54.514 -0.574 25454 7014 1 16 . 1 1 76 76 ASP CB C 76 40.510 40.510 39.340 1.169 25454 7015 1 16 . 1 1 76 76 ASP H H 76 8.201 8.201 8.453 -0.252 25454 7016 1 16 . 1 1 77 77 LEU N N 77 123.780 123.780 113.164 10.616 25454 7017 1 16 . 1 1 77 77 LEU HA H 77 4.600 4.600 4.597 0.003 25454 7018 1 16 . 1 1 77 77 LEU CA C 77 52.980 52.980 51.795 1.185 25454 7019 1 16 . 1 1 77 77 LEU CB C 77 41.850 41.850 43.110 -1.260 25454 7020 1 16 . 1 1 77 77 LEU H H 77 8.021 8.021 7.358 0.663 25454 7021 1 16 . 1 1 78 78 PRO HA H 78 4.417 4.417 4.644 -0.227 25454 7022 1 16 . 1 1 78 78 PRO C C 78 176.058 176.058 176.925 -0.867 25454 7023 1 16 . 1 1 78 78 PRO CA C 78 63.260 63.260 62.767 0.493 25454 7024 1 16 . 1 1 78 78 PRO CB C 78 31.956 31.956 32.672 -0.716 25454 7025 1 17 . 1 1 2 2 ASN N N 2 118.440 118.440 119.789 -1.349 25454 7026 1 17 . 1 1 2 2 ASN HA H 2 4.660 4.660 5.091 -0.431 25454 7027 1 17 . 1 1 2 2 ASN C C 2 174.884 174.884 173.700 1.184 25454 7028 1 17 . 1 1 2 2 ASN CA C 2 53.730 53.730 53.094 0.636 25454 7029 1 17 . 1 1 2 2 ASN CB C 2 38.500 38.500 40.352 -1.853 25454 7030 1 17 . 1 1 2 2 ASN H H 2 8.869 8.869 9.097 -0.228 25454 7031 1 17 . 1 1 3 3 GLU N N 3 121.390 121.390 124.990 -3.600 25454 7032 1 17 . 1 1 3 3 GLU HA H 3 4.416 4.416 4.481 -0.065 25454 7033 1 17 . 1 1 3 3 GLU C C 3 175.916 175.916 174.705 1.211 25454 7034 1 17 . 1 1 3 3 GLU CA C 3 56.300 56.300 55.886 0.414 25454 7035 1 17 . 1 1 3 3 GLU CB C 3 29.810 29.810 30.147 -0.337 25454 7036 1 17 . 1 1 3 3 GLU H H 3 8.560 8.560 8.508 0.052 25454 7037 1 17 . 1 1 4 4 SER N N 4 118.190 118.190 116.053 2.137 25454 7038 1 17 . 1 1 4 4 SER HA H 4 4.716 4.716 4.719 -0.003 25454 7039 1 17 . 1 1 4 4 SER C C 4 175.686 175.686 174.504 1.182 25454 7040 1 17 . 1 1 4 4 SER CA C 4 57.890 57.890 57.800 0.090 25454 7041 1 17 . 1 1 4 4 SER CB C 4 65.080 65.080 63.283 1.797 25454 7042 1 17 . 1 1 4 4 SER H H 4 8.802 8.802 8.562 0.240 25454 7043 1 17 . 1 1 5 5 ALA N N 5 128.990 128.990 126.175 2.815 25454 7044 1 17 . 1 1 5 5 ALA HA H 5 4.142 4.142 3.959 0.183 25454 7045 1 17 . 1 1 5 5 ALA C C 5 179.112 179.112 178.587 0.525 25454 7046 1 17 . 1 1 5 5 ALA CA C 5 55.880 55.880 55.059 0.821 25454 7047 1 17 . 1 1 5 5 ALA CB C 5 18.110 18.110 18.825 -0.715 25454 7048 1 17 . 1 1 5 5 ALA H H 5 8.992 8.992 8.099 0.893 25454 7049 1 17 . 1 1 6 6 LYS N N 6 114.810 114.810 116.166 -1.356 25454 7050 1 17 . 1 1 6 6 LYS HA H 6 3.221 3.221 2.530 0.691 25454 7051 1 17 . 1 1 6 6 LYS C C 6 177.448 177.448 176.789 0.659 25454 7052 1 17 . 1 1 6 6 LYS CA C 6 57.740 57.740 58.151 -0.411 25454 7053 1 17 . 1 1 6 6 LYS CB C 6 31.830 31.830 32.024 -0.194 25454 7054 1 17 . 1 1 6 6 LYS H H 6 7.776 7.776 8.164 -0.388 25454 7055 1 17 . 1 1 7 7 ASP N N 7 119.190 119.190 115.058 4.132 25454 7056 1 17 . 1 1 7 7 ASP HA H 7 4.748 4.748 4.850 -0.102 25454 7057 1 17 . 1 1 7 7 ASP C C 7 176.254 176.254 175.038 1.216 25454 7058 1 17 . 1 1 7 7 ASP CA C 7 53.800 53.800 52.468 1.331 25454 7059 1 17 . 1 1 7 7 ASP CB C 7 41.560 41.560 41.922 -0.362 25454 7060 1 17 . 1 1 7 7 ASP H H 7 7.744 7.744 7.584 0.160 25454 7061 1 17 . 1 1 8 8 MET N N 8 122.540 122.540 121.367 1.173 25454 7062 1 17 . 1 1 8 8 MET HA H 8 4.502 4.502 4.198 0.304 25454 7063 1 17 . 1 1 8 8 MET C C 8 176.932 176.932 175.745 1.187 25454 7064 1 17 . 1 1 8 8 MET CA C 8 56.390 56.390 56.701 -0.311 25454 7065 1 17 . 1 1 8 8 MET CB C 8 35.300 35.300 33.020 2.280 25454 7066 1 17 . 1 1 8 8 MET H H 8 7.925 7.925 7.516 0.409 25454 7067 1 17 . 1 1 9 9 THR N N 9 121.410 121.410 122.109 -0.699 25454 7068 1 17 . 1 1 9 9 THR HA H 9 4.794 4.794 4.367 0.427 25454 7069 1 17 . 1 1 9 9 THR C C 9 176.198 176.198 175.310 0.888 25454 7070 1 17 . 1 1 9 9 THR CA C 9 61.960 61.960 62.782 -0.822 25454 7071 1 17 . 1 1 9 9 THR CB C 9 72.200 72.200 69.995 2.205 25454 7072 1 17 . 1 1 9 9 THR H H 9 9.927 9.927 8.381 1.546 25454 7073 1 17 . 1 1 10 10 CYS N N 10 121.150 121.150 126.294 -5.144 25454 7074 1 17 . 1 1 10 10 CYS HA H 10 4.685 4.685 4.319 0.366 25454 7075 1 17 . 1 1 10 10 CYS C C 10 177.324 177.324 177.128 0.196 25454 7076 1 17 . 1 1 10 10 CYS CA C 10 56.970 56.970 61.919 -4.949 25454 7077 1 17 . 1 1 10 10 CYS CB C 10 32.440 32.440 25.742 6.698 25454 7078 1 17 . 1 1 10 10 CYS H H 10 9.765 9.765 8.949 0.816 25454 7079 1 17 . 1 1 11 11 GLN N N 11 121.360 121.360 119.441 1.919 25454 7080 1 17 . 1 1 11 11 GLN HA H 11 3.894 3.894 4.104 -0.210 25454 7081 1 17 . 1 1 11 11 GLN C C 11 176.902 176.902 177.471 -0.569 25454 7082 1 17 . 1 1 11 11 GLN CA C 11 58.680 58.680 58.654 0.026 25454 7083 1 17 . 1 1 11 11 GLN CB C 11 28.900 28.900 28.232 0.668 25454 7084 1 17 . 1 1 11 11 GLN H H 11 8.583 8.583 8.073 0.510 25454 7085 1 17 . 1 1 12 12 GLU N N 12 117.090 117.090 118.548 -1.458 25454 7086 1 17 . 1 1 12 12 GLU HA H 12 3.983 3.983 4.108 -0.125 25454 7087 1 17 . 1 1 12 12 GLU C C 12 179.763 179.763 178.454 1.309 25454 7088 1 17 . 1 1 12 12 GLU CA C 12 59.528 59.528 58.379 1.149 25454 7089 1 17 . 1 1 12 12 GLU CB C 12 31.830 31.830 29.760 2.070 25454 7090 1 17 . 1 1 12 12 GLU H H 12 7.867 7.867 7.663 0.204 25454 7091 1 17 . 1 1 13 13 PHE N N 13 119.630 119.630 120.633 -1.003 25454 7092 1 17 . 1 1 13 13 PHE HA H 13 4.269 4.269 4.221 0.048 25454 7093 1 17 . 1 1 13 13 PHE C C 13 176.432 176.432 178.263 -1.831 25454 7094 1 17 . 1 1 13 13 PHE CA C 13 61.150 61.150 61.251 -0.101 25454 7095 1 17 . 1 1 13 13 PHE CB C 13 39.520 39.520 39.515 0.005 25454 7096 1 17 . 1 1 13 13 PHE H H 13 8.182 8.182 8.479 -0.297 25454 7097 1 17 . 1 1 14 14 ILE N N 14 114.180 114.180 114.001 0.179 25454 7098 1 17 . 1 1 14 14 ILE HA H 14 3.761 3.761 3.768 -0.007 25454 7099 1 17 . 1 1 14 14 ILE C C 14 177.089 177.089 175.738 1.351 25454 7100 1 17 . 1 1 14 14 ILE CA C 14 63.030 63.030 62.943 0.087 25454 7101 1 17 . 1 1 14 14 ILE CB C 14 36.740 36.740 37.006 -0.266 25454 7102 1 17 . 1 1 14 14 ILE H H 14 8.191 8.191 8.019 0.172 25454 7103 1 17 . 1 1 15 15 ASP N N 15 120.260 120.260 119.629 0.631 25454 7104 1 17 . 1 1 15 15 ASP HA H 15 4.716 4.716 4.634 0.082 25454 7105 1 17 . 1 1 15 15 ASP C C 15 174.697 174.697 176.654 -1.957 25454 7106 1 17 . 1 1 15 15 ASP CA C 15 54.080 54.080 53.728 0.352 25454 7107 1 17 . 1 1 15 15 ASP CB C 15 40.810 40.810 42.915 -2.105 25454 7108 1 17 . 1 1 15 15 ASP H H 15 7.478 7.478 7.492 -0.014 25454 7109 1 17 . 1 1 16 16 LEU N N 16 122.985 122.985 119.666 3.319 25454 7110 1 17 . 1 1 16 16 LEU HA H 16 4.067 4.067 4.235 -0.168 25454 7111 1 17 . 1 1 16 16 LEU C C 16 176.710 176.710 175.818 0.892 25454 7112 1 17 . 1 1 16 16 LEU CA C 16 55.028 55.028 55.214 -0.186 25454 7113 1 17 . 1 1 16 16 LEU CB C 16 43.370 43.370 42.632 0.738 25454 7114 1 17 . 1 1 16 16 LEU H H 16 7.226 7.226 7.342 -0.116 25454 7115 1 17 . 1 1 17 17 ASN N N 17 119.620 119.620 119.184 0.436 25454 7116 1 17 . 1 1 17 17 ASN HA H 17 4.634 4.634 4.794 -0.160 25454 7117 1 17 . 1 1 17 17 ASN CA C 17 52.048 52.048 51.085 0.963 25454 7118 1 17 . 1 1 17 17 ASN CB C 17 39.480 39.480 38.546 0.934 25454 7119 1 17 . 1 1 17 17 ASN H H 17 7.265 7.265 8.385 -1.120 25454 7120 1 17 . 1 1 18 18 PRO HA H 18 4.137 4.137 4.153 -0.016 25454 7121 1 17 . 1 1 18 18 PRO C C 18 179.247 179.247 177.732 1.515 25454 7122 1 17 . 1 1 18 18 PRO CA C 18 65.370 65.370 64.454 0.916 25454 7123 1 17 . 1 1 18 18 PRO CB C 18 32.610 32.610 31.841 0.769 25454 7124 1 17 . 1 1 19 19 LYS N N 19 116.450 116.450 118.921 -2.471 25454 7125 1 17 . 1 1 19 19 LYS HA H 19 3.856 3.856 4.019 -0.163 25454 7126 1 17 . 1 1 19 19 LYS C C 19 176.995 176.995 178.810 -1.815 25454 7127 1 17 . 1 1 19 19 LYS CA C 19 59.080 59.080 59.498 -0.418 25454 7128 1 17 . 1 1 19 19 LYS CB C 19 34.940 34.940 32.037 2.903 25454 7129 1 17 . 1 1 19 19 LYS H H 19 8.445 8.445 8.848 -0.403 25454 7130 1 17 . 1 1 20 20 ALA N N 20 116.170 116.170 121.115 -4.945 25454 7131 1 17 . 1 1 20 20 ALA HA H 20 4.255 4.255 4.440 -0.185 25454 7132 1 17 . 1 1 20 20 ALA C C 20 177.511 177.511 179.385 -1.874 25454 7133 1 17 . 1 1 20 20 ALA CA C 20 51.640 51.640 53.572 -1.932 25454 7134 1 17 . 1 1 20 20 ALA CB C 20 21.660 21.660 17.999 3.661 25454 7135 1 17 . 1 1 20 20 ALA H H 20 8.400 8.400 7.741 0.659 25454 7136 1 17 . 1 1 21 21 MET N N 21 117.850 117.850 118.700 -0.850 25454 7137 1 17 . 1 1 21 21 MET HA H 21 3.645 3.645 4.083 -0.438 25454 7138 1 17 . 1 1 21 21 MET C C 21 177.511 177.511 177.992 -0.481 25454 7139 1 17 . 1 1 21 21 MET CA C 21 61.418 61.418 59.907 1.511 25454 7140 1 17 . 1 1 21 21 MET CB C 21 33.220 33.220 32.566 0.655 25454 7141 1 17 . 1 1 21 21 MET H H 21 7.206 7.206 8.152 -0.946 25454 7142 1 17 . 1 1 22 22 THR N N 22 114.690 114.690 115.157 -0.467 25454 7143 1 17 . 1 1 22 22 THR HA H 22 4.115 4.115 4.354 -0.239 25454 7144 1 17 . 1 1 22 22 THR CA C 22 69.550 69.550 68.730 0.820 25454 7145 1 17 . 1 1 22 22 THR CB C 22 65.700 65.700 66.400 -0.700 25454 7146 1 17 . 1 1 22 22 THR H H 22 8.695 8.695 7.868 0.827 25454 7147 1 17 . 1 1 23 23 PRO HA H 23 3.550 3.550 4.261 -0.711 25454 7148 1 17 . 1 1 23 23 PRO C C 23 178.637 178.637 178.737 -0.100 25454 7149 1 17 . 1 1 23 23 PRO CA C 23 65.770 65.770 65.993 -0.223 25454 7150 1 17 . 1 1 23 23 PRO CB C 23 31.182 31.182 31.216 -0.034 25454 7151 1 17 . 1 1 24 24 VAL N N 24 115.820 115.820 118.739 -2.919 25454 7152 1 17 . 1 1 24 24 VAL HA H 24 3.675 3.675 3.977 -0.302 25454 7153 1 17 . 1 1 24 24 VAL C C 24 177.464 177.464 177.167 0.297 25454 7154 1 17 . 1 1 24 24 VAL CA C 24 67.490 67.490 65.484 2.006 25454 7155 1 17 . 1 1 24 24 VAL CB C 24 31.970 31.970 31.887 0.083 25454 7156 1 17 . 1 1 24 24 VAL H H 24 7.441 7.441 7.503 -0.062 25454 7157 1 17 . 1 1 25 25 ALA N N 25 122.670 122.670 122.289 0.381 25454 7158 1 17 . 1 1 25 25 ALA HA H 25 3.783 3.783 4.114 -0.331 25454 7159 1 17 . 1 1 25 25 ALA C C 25 178.497 178.497 179.306 -0.809 25454 7160 1 17 . 1 1 25 25 ALA CA C 25 55.620 55.620 55.160 0.460 25454 7161 1 17 . 1 1 25 25 ALA CB C 25 18.852 18.852 18.470 0.382 25454 7162 1 17 . 1 1 25 25 ALA H H 25 8.805 8.805 8.495 0.310 25454 7163 1 17 . 1 1 26 26 TRP N N 26 118.270 118.270 120.949 -2.679 25454 7164 1 17 . 1 1 26 26 TRP HA H 26 3.709 3.709 4.601 -0.892 25454 7165 1 17 . 1 1 26 26 TRP C C 26 178.309 178.309 177.471 0.838 25454 7166 1 17 . 1 1 26 26 TRP CA C 26 63.940 63.940 60.490 3.450 25454 7167 1 17 . 1 1 26 26 TRP CB C 26 29.740 29.740 30.305 -0.565 25454 7168 1 17 . 1 1 26 26 TRP H H 26 9.181 9.181 8.067 1.114 25454 7169 1 17 . 1 1 27 27 TRP N N 27 119.740 119.740 121.444 -1.704 25454 7170 1 17 . 1 1 27 27 TRP HA H 27 4.118 4.118 3.745 0.373 25454 7171 1 17 . 1 1 27 27 TRP C C 27 177.511 177.511 178.384 -0.873 25454 7172 1 17 . 1 1 27 27 TRP CA C 27 60.588 60.588 58.680 1.908 25454 7173 1 17 . 1 1 27 27 TRP CB C 27 30.021 30.021 29.658 0.363 25454 7174 1 17 . 1 1 27 27 TRP H H 27 8.527 8.527 8.969 -0.442 25454 7175 1 17 . 1 1 28 28 MET N N 28 119.130 119.130 118.842 0.288 25454 7176 1 17 . 1 1 28 28 MET HA H 28 3.618 3.618 3.715 -0.097 25454 7177 1 17 . 1 1 28 28 MET C C 28 177.587 177.587 178.205 -0.618 25454 7178 1 17 . 1 1 28 28 MET CA C 28 58.540 58.540 58.405 0.135 25454 7179 1 17 . 1 1 28 28 MET CB C 28 29.392 29.392 31.423 -2.031 25454 7180 1 17 . 1 1 28 28 MET H H 28 7.756 7.756 7.885 -0.129 25454 7181 1 17 . 1 1 29 29 LEU N N 29 117.820 117.820 116.221 1.599 25454 7182 1 17 . 1 1 29 29 LEU HA H 29 3.559 3.559 3.938 -0.379 25454 7183 1 17 . 1 1 29 29 LEU C C 29 179.417 179.417 176.815 2.602 25454 7184 1 17 . 1 1 29 29 LEU CA C 29 57.043 57.043 56.389 0.654 25454 7185 1 17 . 1 1 29 29 LEU CB C 29 42.676 42.676 41.153 1.523 25454 7186 1 17 . 1 1 29 29 LEU H H 29 7.838 7.838 7.453 0.385 25454 7187 1 17 . 1 1 30 30 HIS N N 30 113.790 113.790 113.364 0.426 25454 7188 1 17 . 1 1 30 30 HIS HA H 30 4.059 4.059 4.542 -0.483 25454 7189 1 17 . 1 1 30 30 HIS C C 30 176.289 176.289 175.905 0.384 25454 7190 1 17 . 1 1 30 30 HIS CA C 30 56.030 56.030 56.115 -0.085 25454 7191 1 17 . 1 1 30 30 HIS CB C 30 29.216 29.216 31.709 -2.493 25454 7192 1 17 . 1 1 30 30 HIS H H 30 7.757 7.757 7.196 0.561 25454 7193 1 17 . 1 1 31 31 GLU N N 31 125.870 125.870 118.444 7.426 25454 7194 1 17 . 1 1 31 31 GLU HA H 31 4.450 4.450 3.749 0.701 25454 7195 1 17 . 1 1 31 31 GLU C C 31 176.775 176.775 175.188 1.587 25454 7196 1 17 . 1 1 31 31 GLU CA C 31 56.160 56.160 57.785 -1.625 25454 7197 1 17 . 1 1 31 31 GLU CB C 31 28.386 28.386 28.875 -0.489 25454 7198 1 17 . 1 1 31 31 GLU H H 31 8.916 8.916 7.961 0.955 25454 7199 1 17 . 1 1 32 32 GLU N N 32 116.185 116.185 116.315 -0.130 25454 7200 1 17 . 1 1 32 32 GLU HA H 32 3.563 3.563 4.069 -0.506 25454 7201 1 17 . 1 1 32 32 GLU C C 32 174.994 174.994 176.392 -1.398 25454 7202 1 17 . 1 1 32 32 GLU CA C 32 58.090 58.090 57.578 0.512 25454 7203 1 17 . 1 1 32 32 GLU CB C 32 26.783 26.783 28.685 -1.902 25454 7204 1 17 . 1 1 32 32 GLU H H 32 9.330 9.330 8.151 1.179 25454 7205 1 17 . 1 1 33 33 THR N N 33 110.202 110.202 113.950 -3.748 25454 7206 1 17 . 1 1 33 33 THR HA H 33 4.696 4.696 4.074 0.622 25454 7207 1 17 . 1 1 33 33 THR C C 33 173.529 173.529 174.587 -1.058 25454 7208 1 17 . 1 1 33 33 THR CA C 33 60.129 60.129 64.217 -4.088 25454 7209 1 17 . 1 1 33 33 THR CB C 33 71.864 71.864 69.193 2.671 25454 7210 1 17 . 1 1 33 33 THR H H 33 7.620 7.620 7.931 -0.311 25454 7211 1 17 . 1 1 34 34 VAL N N 34 121.967 121.967 118.998 2.969 25454 7212 1 17 . 1 1 34 34 VAL HA H 34 4.139 4.139 3.803 0.336 25454 7213 1 17 . 1 1 34 34 VAL C C 34 172.579 172.579 174.181 -1.602 25454 7214 1 17 . 1 1 34 34 VAL CA C 34 63.032 63.032 62.826 0.206 25454 7215 1 17 . 1 1 34 34 VAL CB C 34 32.594 32.594 32.503 0.091 25454 7216 1 17 . 1 1 34 34 VAL H H 34 8.308 8.308 7.789 0.519 25454 7217 1 17 . 1 1 35 35 TYR N N 35 129.550 129.550 123.637 5.913 25454 7218 1 17 . 1 1 35 35 TYR HA H 35 4.562 4.562 4.688 -0.126 25454 7219 1 17 . 1 1 35 35 TYR CA C 35 58.660 58.660 58.682 -0.022 25454 7220 1 17 . 1 1 35 35 TYR CB C 35 39.520 39.520 38.926 0.594 25454 7221 1 17 . 1 1 35 35 TYR H H 35 8.610 8.610 8.476 0.134 25454 7222 1 17 . 1 1 36 36 LYS N N 36 129.360 129.360 124.971 4.389 25454 7223 1 17 . 1 1 36 36 LYS HA H 36 4.411 4.411 4.525 -0.114 25454 7224 1 17 . 1 1 36 36 LYS CA C 36 55.626 55.626 55.527 0.099 25454 7225 1 17 . 1 1 36 36 LYS CB C 36 32.790 32.790 35.472 -2.682 25454 7226 1 17 . 1 1 36 36 LYS H H 36 8.509 8.509 8.111 0.398 25454 7227 1 17 . 1 1 37 37 GLY N N 37 109.150 109.150 112.814 -3.664 25454 7228 1 17 . 1 1 37 37 GLY C C 37 174.428 174.428 174.620 -0.192 25454 7229 1 17 . 1 1 37 37 GLY CA C 37 46.427 46.427 45.542 0.885 25454 7230 1 17 . 1 1 37 37 GLY H H 37 6.819 6.819 8.703 -1.884 25454 7231 1 17 . 1 1 38 38 GLY N N 38 110.780 110.780 110.218 0.562 25454 7232 1 17 . 1 1 38 38 GLY C C 38 174.108 174.108 173.182 0.926 25454 7233 1 17 . 1 1 38 38 GLY CA C 38 44.972 44.972 45.102 -0.130 25454 7234 1 17 . 1 1 38 38 GLY H H 38 8.365 8.365 7.955 0.410 25454 7235 1 17 . 1 1 39 39 ASP N N 39 120.800 120.800 117.684 3.116 25454 7236 1 17 . 1 1 39 39 ASP HA H 39 4.789 4.789 4.826 -0.037 25454 7237 1 17 . 1 1 39 39 ASP C C 39 177.820 177.820 176.645 1.175 25454 7238 1 17 . 1 1 39 39 ASP CA C 39 55.340 55.340 54.703 0.637 25454 7239 1 17 . 1 1 39 39 ASP CB C 39 41.150 41.150 41.079 0.071 25454 7240 1 17 . 1 1 39 39 ASP H H 39 8.476 8.476 8.482 -0.006 25454 7241 1 17 . 1 1 40 40 THR N N 40 111.201 111.201 114.050 -2.849 25454 7242 1 17 . 1 1 40 40 THR HA H 40 3.753 3.753 4.015 -0.262 25454 7243 1 17 . 1 1 40 40 THR C C 40 175.526 175.526 176.333 -0.807 25454 7244 1 17 . 1 1 40 40 THR CA C 40 60.300 60.300 63.325 -3.025 25454 7245 1 17 . 1 1 40 40 THR CB C 40 71.278 71.278 68.927 2.351 25454 7246 1 17 . 1 1 40 40 THR H H 40 8.132 8.132 8.163 -0.031 25454 7247 1 17 . 1 1 41 41 VAL N N 41 125.014 125.014 115.030 9.984 25454 7248 1 17 . 1 1 41 41 VAL HA H 41 3.831 3.831 2.865 0.966 25454 7249 1 17 . 1 1 41 41 VAL C C 41 174.100 174.100 175.689 -1.589 25454 7250 1 17 . 1 1 41 41 VAL CA C 41 63.988 63.988 63.245 0.743 25454 7251 1 17 . 1 1 41 41 VAL CB C 41 30.465 30.465 29.901 0.564 25454 7252 1 17 . 1 1 41 41 VAL H H 41 8.278 8.278 7.342 0.936 25454 7253 1 17 . 1 1 42 42 THR N N 42 121.970 121.970 112.335 9.635 25454 7254 1 17 . 1 1 42 42 THR HA H 42 4.603 4.603 4.040 0.563 25454 7255 1 17 . 1 1 42 42 THR C C 42 172.978 172.978 175.616 -2.638 25454 7256 1 17 . 1 1 42 42 THR CA C 42 60.166 60.166 63.562 -3.396 25454 7257 1 17 . 1 1 42 42 THR CB C 42 70.588 70.588 69.371 1.217 25454 7258 1 17 . 1 1 42 42 THR H H 42 7.849 7.849 7.488 0.361 25454 7259 1 17 . 1 1 43 43 LEU N N 43 122.979 122.979 125.799 -2.820 25454 7260 1 17 . 1 1 43 43 LEU HA H 43 5.041 5.041 4.434 0.607 25454 7261 1 17 . 1 1 43 43 LEU CA C 43 55.072 55.072 54.596 0.476 25454 7262 1 17 . 1 1 43 43 LEU CB C 43 42.661 42.661 40.347 2.314 25454 7263 1 17 . 1 1 43 43 LEU H H 43 8.310 8.310 8.438 -0.128 25454 7264 1 17 . 1 1 44 44 ASN N N 44 124.579 124.579 119.818 4.761 25454 7265 1 17 . 1 1 44 44 ASN HA H 44 5.135 5.135 4.723 0.412 25454 7266 1 17 . 1 1 44 44 ASN C C 44 175.736 175.736 176.258 -0.522 25454 7267 1 17 . 1 1 44 44 ASN CA C 44 50.814 50.814 52.488 -1.674 25454 7268 1 17 . 1 1 44 44 ASN CB C 44 40.280 40.280 39.450 0.830 25454 7269 1 17 . 1 1 44 44 ASN H H 44 9.542 9.542 8.150 1.392 25454 7270 1 17 . 1 1 45 45 GLU N N 45 118.210 118.210 119.220 -1.010 25454 7271 1 17 . 1 1 45 45 GLU HA H 45 4.088 4.088 4.092 -0.004 25454 7272 1 17 . 1 1 45 45 GLU C C 45 179.010 179.010 178.189 0.821 25454 7273 1 17 . 1 1 45 45 GLU CA C 45 60.349 60.349 59.915 0.434 25454 7274 1 17 . 1 1 45 45 GLU CB C 45 28.908 28.908 29.234 -0.326 25454 7275 1 17 . 1 1 45 45 GLU H H 45 8.752 8.752 8.972 -0.220 25454 7276 1 17 . 1 1 46 46 THR N N 46 116.430 116.430 116.514 -0.084 25454 7277 1 17 . 1 1 46 46 THR HA H 46 4.114 4.114 4.057 0.057 25454 7278 1 17 . 1 1 46 46 THR C C 46 176.994 176.994 176.191 0.803 25454 7279 1 17 . 1 1 46 46 THR CA C 46 66.260 66.260 67.112 -0.852 25454 7280 1 17 . 1 1 46 46 THR CB C 46 68.270 68.270 68.386 -0.116 25454 7281 1 17 . 1 1 46 46 THR H H 46 8.043 8.043 7.799 0.244 25454 7282 1 17 . 1 1 47 47 ASP N N 47 124.380 124.380 122.838 1.542 25454 7283 1 17 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.416 -0.072 25454 7284 1 17 . 1 1 47 47 ASP C C 47 178.914 178.914 178.728 0.186 25454 7285 1 17 . 1 1 47 47 ASP CA C 47 58.630 58.630 57.948 0.682 25454 7286 1 17 . 1 1 47 47 ASP CB C 47 42.350 42.350 40.728 1.622 25454 7287 1 17 . 1 1 47 47 ASP H H 47 8.475 8.475 8.401 0.074 25454 7288 1 17 . 1 1 48 48 LEU N N 48 116.889 116.889 119.135 -2.246 25454 7289 1 17 . 1 1 48 48 LEU HA H 48 4.118 4.118 4.128 -0.010 25454 7290 1 17 . 1 1 48 48 LEU C C 48 175.839 175.839 179.297 -3.458 25454 7291 1 17 . 1 1 48 48 LEU CA C 48 57.432 57.432 57.969 -0.537 25454 7292 1 17 . 1 1 48 48 LEU CB C 48 41.430 41.430 41.874 -0.444 25454 7293 1 17 . 1 1 48 48 LEU H H 48 8.082 8.082 8.440 -0.358 25454 7294 1 17 . 1 1 49 49 THR N N 49 112.550 112.550 115.050 -2.500 25454 7295 1 17 . 1 1 49 49 THR HA H 49 4.310 4.310 4.171 0.139 25454 7296 1 17 . 1 1 49 49 THR C C 49 177.306 177.306 176.571 0.735 25454 7297 1 17 . 1 1 49 49 THR CA C 49 64.520 64.520 65.933 -1.413 25454 7298 1 17 . 1 1 49 49 THR CB C 49 69.525 69.525 68.866 0.659 25454 7299 1 17 . 1 1 49 49 THR H H 49 7.743 7.743 8.008 -0.265 25454 7300 1 17 . 1 1 50 50 GLN N N 50 121.570 121.570 120.432 1.138 25454 7301 1 17 . 1 1 50 50 GLN HA H 50 4.344 4.344 4.283 0.061 25454 7302 1 17 . 1 1 50 50 GLN C C 50 178.308 178.308 178.397 -0.089 25454 7303 1 17 . 1 1 50 50 GLN CA C 50 58.630 58.630 57.549 1.081 25454 7304 1 17 . 1 1 50 50 GLN CB C 50 30.850 30.850 28.356 2.494 25454 7305 1 17 . 1 1 50 50 GLN H H 50 8.519 8.519 7.866 0.653 25454 7306 1 17 . 1 1 51 51 ILE N N 51 120.320 120.320 121.037 -0.717 25454 7307 1 17 . 1 1 51 51 ILE HA H 51 3.573 3.573 4.028 -0.455 25454 7308 1 17 . 1 1 51 51 ILE CA C 51 69.155 69.155 64.659 4.496 25454 7309 1 17 . 1 1 51 51 ILE CB C 51 35.659 35.659 34.383 1.276 25454 7310 1 17 . 1 1 51 51 ILE H H 51 8.663 8.663 8.740 -0.077 25454 7311 1 17 . 1 1 52 52 PRO HA H 52 4.301 4.301 4.378 -0.077 25454 7312 1 17 . 1 1 52 52 PRO C C 52 179.686 179.686 178.915 0.771 25454 7313 1 17 . 1 1 52 52 PRO CA C 52 66.190 66.190 65.684 0.506 25454 7314 1 17 . 1 1 52 52 PRO CB C 52 31.270 31.270 31.138 0.132 25454 7315 1 17 . 1 1 53 53 LYS N N 53 116.520 116.520 118.132 -1.612 25454 7316 1 17 . 1 1 53 53 LYS HA H 53 4.231 4.231 4.186 0.045 25454 7317 1 17 . 1 1 53 53 LYS C C 53 179.475 179.475 179.063 0.412 25454 7318 1 17 . 1 1 53 53 LYS CA C 53 59.017 59.017 58.551 0.466 25454 7319 1 17 . 1 1 53 53 LYS CB C 53 31.796 31.796 31.832 -0.036 25454 7320 1 17 . 1 1 53 53 LYS H H 53 7.016 7.016 7.536 -0.520 25454 7321 1 17 . 1 1 54 54 VAL N N 54 125.220 125.220 115.975 9.245 25454 7322 1 17 . 1 1 54 54 VAL HA H 54 3.022 3.022 3.934 -0.912 25454 7323 1 17 . 1 1 54 54 VAL C C 54 177.692 177.692 177.602 0.090 25454 7324 1 17 . 1 1 54 54 VAL CA C 54 65.860 65.860 65.163 0.697 25454 7325 1 17 . 1 1 54 54 VAL CB C 54 30.623 30.623 30.770 -0.147 25454 7326 1 17 . 1 1 54 54 VAL H H 54 8.068 8.068 8.298 -0.230 25454 7327 1 17 . 1 1 55 55 ILE N N 55 119.943 119.943 121.984 -2.041 25454 7328 1 17 . 1 1 55 55 ILE HA H 55 3.641 3.641 4.067 -0.426 25454 7329 1 17 . 1 1 55 55 ILE C C 55 177.515 177.515 177.949 -0.434 25454 7330 1 17 . 1 1 55 55 ILE CA C 55 66.896 66.896 65.534 1.362 25454 7331 1 17 . 1 1 55 55 ILE CB C 55 38.500 38.500 38.000 0.500 25454 7332 1 17 . 1 1 55 55 ILE H H 55 7.589 7.589 7.349 0.240 25454 7333 1 17 . 1 1 56 56 GLU N N 56 118.310 118.310 120.736 -2.426 25454 7334 1 17 . 1 1 56 56 GLU HA H 56 4.010 4.010 4.035 -0.025 25454 7335 1 17 . 1 1 56 56 GLU C C 56 178.518 178.518 179.249 -0.731 25454 7336 1 17 . 1 1 56 56 GLU CA C 56 59.603 59.603 59.794 -0.191 25454 7337 1 17 . 1 1 56 56 GLU CB C 56 29.776 29.776 29.656 0.120 25454 7338 1 17 . 1 1 56 56 GLU H H 56 7.794 7.794 8.528 -0.734 25454 7339 1 17 . 1 1 57 57 TYR N N 57 120.510 120.510 119.675 0.835 25454 7340 1 17 . 1 1 57 57 TYR HA H 57 4.239 4.239 4.285 -0.046 25454 7341 1 17 . 1 1 57 57 TYR C C 57 178.919 178.919 177.894 1.025 25454 7342 1 17 . 1 1 57 57 TYR CA C 57 61.600 61.600 59.883 1.717 25454 7343 1 17 . 1 1 57 57 TYR CB C 57 39.060 39.060 37.762 1.298 25454 7344 1 17 . 1 1 57 57 TYR H H 57 8.495 8.495 8.603 -0.108 25454 7345 1 17 . 1 1 58 58 CYS N N 58 117.760 117.760 117.775 -0.015 25454 7346 1 17 . 1 1 58 58 CYS HA H 58 4.685 4.685 4.350 0.335 25454 7347 1 17 . 1 1 58 58 CYS C C 58 177.217 177.217 176.551 0.666 25454 7348 1 17 . 1 1 58 58 CYS CA C 58 52.020 52.020 61.588 -9.568 25454 7349 1 17 . 1 1 58 58 CYS CB C 58 31.667 31.667 27.177 4.489 25454 7350 1 17 . 1 1 58 58 CYS H H 58 8.672 8.672 7.806 0.866 25454 7351 1 17 . 1 1 59 59 LYS N N 59 120.550 120.550 120.295 0.255 25454 7352 1 17 . 1 1 59 59 LYS HA H 59 4.008 4.008 4.146 -0.138 25454 7353 1 17 . 1 1 59 59 LYS C C 59 179.247 179.247 178.373 0.874 25454 7354 1 17 . 1 1 59 59 LYS CA C 59 59.790 59.790 58.741 1.049 25454 7355 1 17 . 1 1 59 59 LYS CB C 59 32.800 32.800 32.175 0.625 25454 7356 1 17 . 1 1 59 59 LYS H H 59 8.481 8.481 8.339 0.142 25454 7357 1 17 . 1 1 60 60 LYS N N 60 116.830 116.830 118.399 -1.569 25454 7358 1 17 . 1 1 60 60 LYS HA H 60 4.166 4.166 4.254 -0.088 25454 7359 1 17 . 1 1 60 60 LYS C C 60 176.432 176.432 177.536 -1.104 25454 7360 1 17 . 1 1 60 60 LYS CA C 60 57.260 57.260 58.052 -0.792 25454 7361 1 17 . 1 1 60 60 LYS CB C 60 33.760 33.760 33.259 0.501 25454 7362 1 17 . 1 1 60 60 LYS H H 60 7.455 7.455 8.196 -0.741 25454 7363 1 17 . 1 1 61 61 ASN N N 61 117.140 117.140 119.158 -2.018 25454 7364 1 17 . 1 1 61 61 ASN HA H 61 4.686 4.686 5.450 -0.764 25454 7365 1 17 . 1 1 61 61 ASN CA C 61 51.300 51.300 50.984 0.316 25454 7366 1 17 . 1 1 61 61 ASN CB C 61 40.208 40.208 39.732 0.476 25454 7367 1 17 . 1 1 61 61 ASN H H 61 7.368 7.368 7.953 -0.585 25454 7368 1 17 . 1 1 62 62 PRO HA H 62 4.227 4.227 4.433 -0.206 25454 7369 1 17 . 1 1 62 62 PRO C C 62 177.511 177.511 177.681 -0.170 25454 7370 1 17 . 1 1 62 62 PRO CA C 62 65.430 65.430 64.896 0.534 25454 7371 1 17 . 1 1 62 62 PRO CB C 62 31.800 31.800 32.203 -0.403 25454 7372 1 17 . 1 1 63 63 GLN N N 63 114.045 114.045 113.656 0.389 25454 7373 1 17 . 1 1 63 63 GLN HA H 63 4.450 4.450 4.165 0.285 25454 7374 1 17 . 1 1 63 63 GLN C C 63 177.766 177.766 176.424 1.342 25454 7375 1 17 . 1 1 63 63 GLN CA C 63 56.200 56.200 57.273 -1.073 25454 7376 1 17 . 1 1 63 63 GLN CB C 63 28.200 28.200 28.189 0.011 25454 7377 1 17 . 1 1 63 63 GLN H H 63 8.578 8.578 8.383 0.195 25454 7378 1 17 . 1 1 64 64 LYS N N 64 119.960 119.960 120.211 -0.251 25454 7379 1 17 . 1 1 64 64 LYS HA H 64 4.452 4.452 4.155 0.297 25454 7380 1 17 . 1 1 64 64 LYS C C 64 176.151 176.151 175.788 0.363 25454 7381 1 17 . 1 1 64 64 LYS CA C 64 55.660 55.660 55.369 0.291 25454 7382 1 17 . 1 1 64 64 LYS CB C 64 33.500 33.500 32.911 0.589 25454 7383 1 17 . 1 1 64 64 LYS H H 64 7.628 7.628 7.650 -0.022 25454 7384 1 17 . 1 1 65 65 ASN N N 65 120.139 120.139 118.242 1.897 25454 7385 1 17 . 1 1 65 65 ASN HA H 65 4.807 4.807 4.540 0.267 25454 7386 1 17 . 1 1 65 65 ASN CA C 65 54.070 54.070 52.947 1.123 25454 7387 1 17 . 1 1 65 65 ASN CB C 65 38.070 38.070 39.387 -1.317 25454 7388 1 17 . 1 1 65 65 ASN H H 65 8.936 8.936 8.232 0.704 25454 7389 1 17 . 1 1 66 66 LEU N N 66 129.960 129.960 125.681 4.279 25454 7390 1 17 . 1 1 66 66 LEU HA H 66 4.165 4.165 3.500 0.665 25454 7391 1 17 . 1 1 66 66 LEU C C 66 176.948 176.948 177.709 -0.761 25454 7392 1 17 . 1 1 66 66 LEU CA C 66 59.220 59.220 56.960 2.260 25454 7393 1 17 . 1 1 66 66 LEU CB C 66 42.830 42.830 42.020 0.810 25454 7394 1 17 . 1 1 66 66 LEU H H 66 8.939 8.939 8.524 0.415 25454 7395 1 17 . 1 1 67 67 TYR N N 67 115.770 115.770 117.228 -1.458 25454 7396 1 17 . 1 1 67 67 TYR HA H 67 4.077 4.077 4.267 -0.190 25454 7397 1 17 . 1 1 67 67 TYR C C 67 178.731 178.731 178.090 0.641 25454 7398 1 17 . 1 1 67 67 TYR CA C 67 61.277 61.277 59.894 1.383 25454 7399 1 17 . 1 1 67 67 TYR CB C 67 36.768 36.768 38.271 -1.503 25454 7400 1 17 . 1 1 67 67 TYR H H 67 9.409 9.409 8.291 1.118 25454 7401 1 17 . 1 1 68 68 THR N N 68 112.470 112.470 116.248 -3.778 25454 7402 1 17 . 1 1 68 68 THR HA H 68 4.268 4.268 4.136 0.132 25454 7403 1 17 . 1 1 68 68 THR C C 68 176.104 176.104 176.609 -0.505 25454 7404 1 17 . 1 1 68 68 THR CA C 68 64.650 64.650 64.543 0.107 25454 7405 1 17 . 1 1 68 68 THR CB C 68 70.268 70.268 68.281 1.987 25454 7406 1 17 . 1 1 68 68 THR H H 68 8.076 8.076 8.229 -0.153 25454 7407 1 17 . 1 1 69 69 PHE N N 69 123.660 123.660 119.542 4.118 25454 7408 1 17 . 1 1 69 69 PHE HA H 69 2.811 2.811 4.453 -1.642 25454 7409 1 17 . 1 1 69 69 PHE C C 69 176.290 176.290 176.635 -0.345 25454 7410 1 17 . 1 1 69 69 PHE CA C 69 61.510 61.510 57.401 4.109 25454 7411 1 17 . 1 1 69 69 PHE CB C 69 39.610 39.610 37.699 1.911 25454 7412 1 17 . 1 1 69 69 PHE H H 69 7.969 7.969 7.668 0.301 25454 7413 1 17 . 1 1 70 70 LYS N N 70 113.530 113.530 119.304 -5.774 25454 7414 1 17 . 1 1 70 70 LYS HA H 70 3.757 3.757 4.140 -0.383 25454 7415 1 17 . 1 1 70 70 LYS C C 70 176.269 176.269 178.729 -2.460 25454 7416 1 17 . 1 1 70 70 LYS CA C 70 57.840 57.840 57.523 0.317 25454 7417 1 17 . 1 1 70 70 LYS CB C 70 32.520 32.520 32.514 0.006 25454 7418 1 17 . 1 1 70 70 LYS H H 70 6.957 6.957 7.918 -0.961 25454 7419 1 17 . 1 1 71 71 ASN N N 71 117.360 117.360 119.183 -1.823 25454 7420 1 17 . 1 1 71 71 ASN HA H 71 4.652 4.652 4.559 0.093 25454 7421 1 17 . 1 1 71 71 ASN C C 71 175.155 175.155 177.038 -1.883 25454 7422 1 17 . 1 1 71 71 ASN CA C 71 53.273 53.273 55.524 -2.251 25454 7423 1 17 . 1 1 71 71 ASN CB C 71 38.870 38.870 38.213 0.657 25454 7424 1 17 . 1 1 71 71 ASN H H 71 7.488 7.488 8.175 -0.687 25454 7425 1 17 . 1 1 72 72 GLN N N 72 119.610 119.610 118.259 1.351 25454 7426 1 17 . 1 1 72 72 GLN HA H 72 4.202 4.202 4.287 -0.085 25454 7427 1 17 . 1 1 72 72 GLN C C 72 179.467 179.467 175.906 3.561 25454 7428 1 17 . 1 1 72 72 GLN CA C 72 56.160 56.160 56.656 -0.496 25454 7429 1 17 . 1 1 72 72 GLN CB C 72 29.460 29.460 28.996 0.464 25454 7430 1 17 . 1 1 72 72 GLN H H 72 7.611 7.611 8.252 -0.641 25454 7431 1 17 . 1 1 73 73 ALA N N 73 125.130 125.130 123.863 1.267 25454 7432 1 17 . 1 1 73 73 ALA HA H 73 4.198 4.198 4.552 -0.354 25454 7433 1 17 . 1 1 73 73 ALA C C 73 177.907 177.907 176.130 1.777 25454 7434 1 17 . 1 1 73 73 ALA CA C 73 52.761 52.761 50.756 2.005 25454 7435 1 17 . 1 1 73 73 ALA CB C 73 19.028 19.028 19.185 -0.157 25454 7436 1 17 . 1 1 73 73 ALA H H 73 8.072 8.072 7.376 0.696 25454 7437 1 17 . 1 1 74 74 SER N N 74 115.100 115.100 120.671 -5.571 25454 7438 1 17 . 1 1 74 74 SER HA H 74 4.344 4.344 4.309 0.035 25454 7439 1 17 . 1 1 74 74 SER C C 74 174.562 174.562 174.046 0.516 25454 7440 1 17 . 1 1 74 74 SER CA C 74 58.640 58.640 58.452 0.188 25454 7441 1 17 . 1 1 74 74 SER CB C 74 63.660 63.660 63.211 0.449 25454 7442 1 17 . 1 1 74 74 SER H H 74 8.114 8.114 8.490 -0.376 25454 7443 1 17 . 1 1 75 75 ASN N N 75 120.950 120.950 123.651 -2.701 25454 7444 1 17 . 1 1 75 75 ASN HA H 75 4.698 4.698 4.655 0.043 25454 7445 1 17 . 1 1 75 75 ASN C C 75 174.790 174.790 175.662 -0.872 25454 7446 1 17 . 1 1 75 75 ASN CA C 75 53.340 53.340 52.842 0.498 25454 7447 1 17 . 1 1 75 75 ASN CB C 75 38.980 38.980 39.822 -0.842 25454 7448 1 17 . 1 1 75 75 ASN H H 75 8.283 8.283 8.098 0.185 25454 7449 1 17 . 1 1 76 76 ASP N N 76 120.550 120.550 120.689 -0.139 25454 7450 1 17 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.604 -0.001 25454 7451 1 17 . 1 1 76 76 ASP C C 76 175.588 175.588 174.695 0.893 25454 7452 1 17 . 1 1 76 76 ASP CA C 76 53.940 53.940 54.590 -0.651 25454 7453 1 17 . 1 1 76 76 ASP CB C 76 40.510 40.510 39.346 1.164 25454 7454 1 17 . 1 1 76 76 ASP H H 76 8.201 8.201 8.711 -0.510 25454 7455 1 17 . 1 1 77 77 LEU N N 77 123.780 123.780 116.624 7.156 25454 7456 1 17 . 1 1 77 77 LEU HA H 77 4.600 4.600 4.796 -0.196 25454 7457 1 17 . 1 1 77 77 LEU CA C 77 52.980 52.980 51.663 1.317 25454 7458 1 17 . 1 1 77 77 LEU CB C 77 41.850 41.850 41.458 0.392 25454 7459 1 17 . 1 1 77 77 LEU H H 77 8.021 8.021 7.703 0.318 25454 7460 1 17 . 1 1 78 78 PRO HA H 78 4.417 4.417 4.597 -0.180 25454 7461 1 17 . 1 1 78 78 PRO C C 78 176.058 176.058 176.428 -0.370 25454 7462 1 17 . 1 1 78 78 PRO CA C 78 63.260 63.260 62.543 0.717 25454 7463 1 17 . 1 1 78 78 PRO CB C 78 31.956 31.956 32.474 -0.518 25454 7464 1 18 . 1 1 2 2 ASN N N 2 118.440 118.440 117.674 0.766 25454 7465 1 18 . 1 1 2 2 ASN HA H 2 4.660 4.660 4.624 0.036 25454 7466 1 18 . 1 1 2 2 ASN C C 2 174.884 174.884 174.890 -0.006 25454 7467 1 18 . 1 1 2 2 ASN CA C 2 53.730 53.730 54.161 -0.431 25454 7468 1 18 . 1 1 2 2 ASN CB C 2 38.500 38.500 38.179 0.321 25454 7469 1 18 . 1 1 2 2 ASN H H 2 8.869 8.869 8.939 -0.070 25454 7470 1 18 . 1 1 3 3 GLU N N 3 121.390 121.390 120.817 0.573 25454 7471 1 18 . 1 1 3 3 GLU HA H 3 4.416 4.416 4.358 0.058 25454 7472 1 18 . 1 1 3 3 GLU C C 3 175.916 175.916 176.472 -0.556 25454 7473 1 18 . 1 1 3 3 GLU CA C 3 56.300 56.300 56.357 -0.057 25454 7474 1 18 . 1 1 3 3 GLU CB C 3 29.810 29.810 30.443 -0.633 25454 7475 1 18 . 1 1 3 3 GLU H H 3 8.560 8.560 8.361 0.199 25454 7476 1 18 . 1 1 4 4 SER N N 4 118.190 118.190 116.519 1.671 25454 7477 1 18 . 1 1 4 4 SER HA H 4 4.716 4.716 4.603 0.113 25454 7478 1 18 . 1 1 4 4 SER C C 4 175.686 175.686 174.970 0.716 25454 7479 1 18 . 1 1 4 4 SER CA C 4 57.890 57.890 56.454 1.436 25454 7480 1 18 . 1 1 4 4 SER CB C 4 65.080 65.080 62.807 2.273 25454 7481 1 18 . 1 1 4 4 SER H H 4 8.802 8.802 8.514 0.288 25454 7482 1 18 . 1 1 5 5 ALA N N 5 128.990 128.990 129.158 -0.168 25454 7483 1 18 . 1 1 5 5 ALA HA H 5 4.142 4.142 4.069 0.073 25454 7484 1 18 . 1 1 5 5 ALA C C 5 179.112 179.112 178.513 0.599 25454 7485 1 18 . 1 1 5 5 ALA CA C 5 55.880 55.880 54.801 1.079 25454 7486 1 18 . 1 1 5 5 ALA CB C 5 18.110 18.110 18.954 -0.844 25454 7487 1 18 . 1 1 5 5 ALA H H 5 8.992 8.992 8.771 0.221 25454 7488 1 18 . 1 1 6 6 LYS N N 6 114.810 114.810 113.898 0.912 25454 7489 1 18 . 1 1 6 6 LYS HA H 6 3.221 3.221 2.718 0.503 25454 7490 1 18 . 1 1 6 6 LYS C C 6 177.448 177.448 175.756 1.692 25454 7491 1 18 . 1 1 6 6 LYS CA C 6 57.740 57.740 56.835 0.905 25454 7492 1 18 . 1 1 6 6 LYS CB C 6 31.830 31.830 31.203 0.626 25454 7493 1 18 . 1 1 6 6 LYS H H 6 7.776 7.776 7.983 -0.207 25454 7494 1 18 . 1 1 7 7 ASP N N 7 119.190 119.190 118.811 0.379 25454 7495 1 18 . 1 1 7 7 ASP HA H 7 4.748 4.748 4.860 -0.112 25454 7496 1 18 . 1 1 7 7 ASP C C 7 176.254 176.254 174.898 1.356 25454 7497 1 18 . 1 1 7 7 ASP CA C 7 53.800 53.800 52.456 1.344 25454 7498 1 18 . 1 1 7 7 ASP CB C 7 41.560 41.560 41.654 -0.094 25454 7499 1 18 . 1 1 7 7 ASP H H 7 7.744 7.744 7.509 0.235 25454 7500 1 18 . 1 1 8 8 MET N N 8 122.540 122.540 121.534 1.006 25454 7501 1 18 . 1 1 8 8 MET HA H 8 4.502 4.502 4.446 0.056 25454 7502 1 18 . 1 1 8 8 MET C C 8 176.932 176.932 175.691 1.241 25454 7503 1 18 . 1 1 8 8 MET CA C 8 56.390 56.390 56.425 -0.035 25454 7504 1 18 . 1 1 8 8 MET CB C 8 35.300 35.300 33.038 2.262 25454 7505 1 18 . 1 1 8 8 MET H H 8 7.925 7.925 7.311 0.614 25454 7506 1 18 . 1 1 9 9 THR N N 9 121.410 121.410 122.047 -0.637 25454 7507 1 18 . 1 1 9 9 THR HA H 9 4.794 4.794 4.265 0.529 25454 7508 1 18 . 1 1 9 9 THR C C 9 176.198 176.198 175.241 0.957 25454 7509 1 18 . 1 1 9 9 THR CA C 9 61.960 61.960 62.680 -0.720 25454 7510 1 18 . 1 1 9 9 THR CB C 9 72.200 72.200 70.108 2.092 25454 7511 1 18 . 1 1 9 9 THR H H 9 9.927 9.927 8.221 1.706 25454 7512 1 18 . 1 1 10 10 CYS N N 10 121.150 121.150 125.297 -4.147 25454 7513 1 18 . 1 1 10 10 CYS HA H 10 4.685 4.685 4.304 0.381 25454 7514 1 18 . 1 1 10 10 CYS C C 10 177.324 177.324 177.116 0.208 25454 7515 1 18 . 1 1 10 10 CYS CA C 10 56.970 56.970 62.330 -5.360 25454 7516 1 18 . 1 1 10 10 CYS CB C 10 32.440 32.440 25.761 6.679 25454 7517 1 18 . 1 1 10 10 CYS H H 10 9.765 9.765 8.872 0.893 25454 7518 1 18 . 1 1 11 11 GLN N N 11 121.360 121.360 119.792 1.568 25454 7519 1 18 . 1 1 11 11 GLN HA H 11 3.894 3.894 4.112 -0.218 25454 7520 1 18 . 1 1 11 11 GLN C C 11 176.902 176.902 177.594 -0.692 25454 7521 1 18 . 1 1 11 11 GLN CA C 11 58.680 58.680 58.474 0.207 25454 7522 1 18 . 1 1 11 11 GLN CB C 11 28.900 28.900 28.191 0.709 25454 7523 1 18 . 1 1 11 11 GLN H H 11 8.583 8.583 8.285 0.298 25454 7524 1 18 . 1 1 12 12 GLU N N 12 117.090 117.090 119.417 -2.327 25454 7525 1 18 . 1 1 12 12 GLU HA H 12 3.983 3.983 4.136 -0.153 25454 7526 1 18 . 1 1 12 12 GLU C C 12 179.763 179.763 178.932 0.831 25454 7527 1 18 . 1 1 12 12 GLU CA C 12 59.528 59.528 57.828 1.700 25454 7528 1 18 . 1 1 12 12 GLU CB C 12 31.830 31.830 29.863 1.967 25454 7529 1 18 . 1 1 12 12 GLU H H 12 7.867 7.867 7.720 0.147 25454 7530 1 18 . 1 1 13 13 PHE N N 13 119.630 119.630 122.222 -2.592 25454 7531 1 18 . 1 1 13 13 PHE HA H 13 4.269 4.269 4.261 0.008 25454 7532 1 18 . 1 1 13 13 PHE C C 13 176.432 176.432 177.964 -1.532 25454 7533 1 18 . 1 1 13 13 PHE CA C 13 61.150 61.150 61.250 -0.100 25454 7534 1 18 . 1 1 13 13 PHE CB C 13 39.520 39.520 39.618 -0.098 25454 7535 1 18 . 1 1 13 13 PHE H H 13 8.182 8.182 8.566 -0.384 25454 7536 1 18 . 1 1 14 14 ILE N N 14 114.180 114.180 112.986 1.194 25454 7537 1 18 . 1 1 14 14 ILE HA H 14 3.761 3.761 3.771 -0.010 25454 7538 1 18 . 1 1 14 14 ILE C C 14 177.089 177.089 175.721 1.368 25454 7539 1 18 . 1 1 14 14 ILE CA C 14 63.030 63.030 62.655 0.375 25454 7540 1 18 . 1 1 14 14 ILE CB C 14 36.740 36.740 37.438 -0.698 25454 7541 1 18 . 1 1 14 14 ILE H H 14 8.191 8.191 7.785 0.406 25454 7542 1 18 . 1 1 15 15 ASP N N 15 120.260 120.260 119.846 0.414 25454 7543 1 18 . 1 1 15 15 ASP HA H 15 4.716 4.716 4.641 0.075 25454 7544 1 18 . 1 1 15 15 ASP C C 15 174.697 174.697 176.782 -2.085 25454 7545 1 18 . 1 1 15 15 ASP CA C 15 54.080 54.080 53.870 0.210 25454 7546 1 18 . 1 1 15 15 ASP CB C 15 40.810 40.810 42.674 -1.864 25454 7547 1 18 . 1 1 15 15 ASP H H 15 7.478 7.478 7.646 -0.168 25454 7548 1 18 . 1 1 16 16 LEU N N 16 122.985 122.985 119.514 3.471 25454 7549 1 18 . 1 1 16 16 LEU HA H 16 4.067 4.067 4.271 -0.204 25454 7550 1 18 . 1 1 16 16 LEU C C 16 176.710 176.710 176.084 0.626 25454 7551 1 18 . 1 1 16 16 LEU CA C 16 55.028 55.028 55.199 -0.171 25454 7552 1 18 . 1 1 16 16 LEU CB C 16 43.370 43.370 42.677 0.693 25454 7553 1 18 . 1 1 16 16 LEU H H 16 7.226 7.226 7.315 -0.089 25454 7554 1 18 . 1 1 17 17 ASN N N 17 119.620 119.620 119.025 0.595 25454 7555 1 18 . 1 1 17 17 ASN HA H 17 4.634 4.634 4.837 -0.203 25454 7556 1 18 . 1 1 17 17 ASN CA C 17 52.048 52.048 50.981 1.067 25454 7557 1 18 . 1 1 17 17 ASN CB C 17 39.480 39.480 38.464 1.016 25454 7558 1 18 . 1 1 17 17 ASN H H 17 7.265 7.265 8.362 -1.097 25454 7559 1 18 . 1 1 18 18 PRO HA H 18 4.137 4.137 4.049 0.088 25454 7560 1 18 . 1 1 18 18 PRO C C 18 179.247 179.247 178.261 0.986 25454 7561 1 18 . 1 1 18 18 PRO CA C 18 65.370 65.370 65.197 0.173 25454 7562 1 18 . 1 1 18 18 PRO CB C 18 32.610 32.610 31.991 0.619 25454 7563 1 18 . 1 1 19 19 LYS N N 19 116.450 116.450 117.895 -1.445 25454 7564 1 18 . 1 1 19 19 LYS HA H 19 3.856 3.856 3.948 -0.092 25454 7565 1 18 . 1 1 19 19 LYS C C 19 176.995 176.995 179.118 -2.123 25454 7566 1 18 . 1 1 19 19 LYS CA C 19 59.080 59.080 59.707 -0.627 25454 7567 1 18 . 1 1 19 19 LYS CB C 19 34.940 34.940 31.955 2.985 25454 7568 1 18 . 1 1 19 19 LYS H H 19 8.445 8.445 8.782 -0.337 25454 7569 1 18 . 1 1 20 20 ALA N N 20 116.170 116.170 120.809 -4.639 25454 7570 1 18 . 1 1 20 20 ALA HA H 20 4.255 4.255 4.377 -0.122 25454 7571 1 18 . 1 1 20 20 ALA C C 20 177.511 177.511 179.432 -1.921 25454 7572 1 18 . 1 1 20 20 ALA CA C 20 51.640 51.640 53.953 -2.313 25454 7573 1 18 . 1 1 20 20 ALA CB C 20 21.660 21.660 18.172 3.488 25454 7574 1 18 . 1 1 20 20 ALA H H 20 8.400 8.400 7.697 0.703 25454 7575 1 18 . 1 1 21 21 MET N N 21 117.850 117.850 119.024 -1.174 25454 7576 1 18 . 1 1 21 21 MET HA H 21 3.645 3.645 4.093 -0.448 25454 7577 1 18 . 1 1 21 21 MET C C 21 177.511 177.511 178.354 -0.843 25454 7578 1 18 . 1 1 21 21 MET CA C 21 61.418 61.418 59.900 1.518 25454 7579 1 18 . 1 1 21 21 MET CB C 21 33.220 33.220 32.508 0.713 25454 7580 1 18 . 1 1 21 21 MET H H 21 7.206 7.206 8.256 -1.050 25454 7581 1 18 . 1 1 22 22 THR N N 22 114.690 114.690 115.725 -1.035 25454 7582 1 18 . 1 1 22 22 THR HA H 22 4.115 4.115 4.253 -0.138 25454 7583 1 18 . 1 1 22 22 THR CA C 22 69.550 69.550 68.702 0.848 25454 7584 1 18 . 1 1 22 22 THR CB C 22 65.700 65.700 66.988 -1.288 25454 7585 1 18 . 1 1 22 22 THR H H 22 8.695 8.695 7.724 0.971 25454 7586 1 18 . 1 1 23 23 PRO HA H 23 3.550 3.550 4.295 -0.745 25454 7587 1 18 . 1 1 23 23 PRO C C 23 178.637 178.637 178.423 0.214 25454 7588 1 18 . 1 1 23 23 PRO CA C 23 65.770 65.770 65.984 -0.214 25454 7589 1 18 . 1 1 23 23 PRO CB C 23 31.182 31.182 31.152 0.030 25454 7590 1 18 . 1 1 24 24 VAL N N 24 115.820 115.820 118.350 -2.530 25454 7591 1 18 . 1 1 24 24 VAL HA H 24 3.675 3.675 4.016 -0.341 25454 7592 1 18 . 1 1 24 24 VAL C C 24 177.464 177.464 177.308 0.156 25454 7593 1 18 . 1 1 24 24 VAL CA C 24 67.490 67.490 65.053 2.437 25454 7594 1 18 . 1 1 24 24 VAL CB C 24 31.970 31.970 31.806 0.164 25454 7595 1 18 . 1 1 24 24 VAL H H 24 7.441 7.441 7.541 -0.100 25454 7596 1 18 . 1 1 25 25 ALA N N 25 122.670 122.670 122.522 0.148 25454 7597 1 18 . 1 1 25 25 ALA HA H 25 3.783 3.783 4.156 -0.373 25454 7598 1 18 . 1 1 25 25 ALA C C 25 178.497 178.497 178.768 -0.271 25454 7599 1 18 . 1 1 25 25 ALA CA C 25 55.620 55.620 55.046 0.574 25454 7600 1 18 . 1 1 25 25 ALA CB C 25 18.852 18.852 18.379 0.473 25454 7601 1 18 . 1 1 25 25 ALA H H 25 8.805 8.805 8.613 0.193 25454 7602 1 18 . 1 1 26 26 TRP N N 26 118.270 118.270 120.898 -2.628 25454 7603 1 18 . 1 1 26 26 TRP HA H 26 3.709 3.709 4.597 -0.888 25454 7604 1 18 . 1 1 26 26 TRP C C 26 178.309 178.309 177.078 1.231 25454 7605 1 18 . 1 1 26 26 TRP CA C 26 63.940 63.940 60.562 3.378 25454 7606 1 18 . 1 1 26 26 TRP CB C 26 29.740 29.740 30.231 -0.491 25454 7607 1 18 . 1 1 26 26 TRP H H 26 9.181 9.181 7.901 1.280 25454 7608 1 18 . 1 1 27 27 TRP N N 27 119.740 119.740 121.337 -1.597 25454 7609 1 18 . 1 1 27 27 TRP HA H 27 4.118 4.118 3.208 0.910 25454 7610 1 18 . 1 1 27 27 TRP C C 27 177.511 177.511 177.917 -0.406 25454 7611 1 18 . 1 1 27 27 TRP CA C 27 60.588 60.588 58.902 1.686 25454 7612 1 18 . 1 1 27 27 TRP CB C 27 30.021 30.021 29.340 0.681 25454 7613 1 18 . 1 1 27 27 TRP H H 27 8.527 8.527 8.835 -0.308 25454 7614 1 18 . 1 1 28 28 MET N N 28 119.130 119.130 118.984 0.146 25454 7615 1 18 . 1 1 28 28 MET HA H 28 3.618 3.618 3.410 0.208 25454 7616 1 18 . 1 1 28 28 MET C C 28 177.587 177.587 178.600 -1.013 25454 7617 1 18 . 1 1 28 28 MET CA C 28 58.540 58.540 58.416 0.124 25454 7618 1 18 . 1 1 28 28 MET CB C 28 29.392 29.392 31.301 -1.909 25454 7619 1 18 . 1 1 28 28 MET H H 28 7.756 7.756 7.851 -0.095 25454 7620 1 18 . 1 1 29 29 LEU N N 29 117.820 117.820 118.178 -0.358 25454 7621 1 18 . 1 1 29 29 LEU HA H 29 3.559 3.559 3.998 -0.439 25454 7622 1 18 . 1 1 29 29 LEU C C 29 179.417 179.417 177.341 2.076 25454 7623 1 18 . 1 1 29 29 LEU CA C 29 57.043 57.043 56.923 0.120 25454 7624 1 18 . 1 1 29 29 LEU CB C 29 42.676 42.676 41.537 1.139 25454 7625 1 18 . 1 1 29 29 LEU H H 29 7.838 7.838 7.461 0.377 25454 7626 1 18 . 1 1 30 30 HIS N N 30 113.790 113.790 112.751 1.039 25454 7627 1 18 . 1 1 30 30 HIS HA H 30 4.059 4.059 4.681 -0.622 25454 7628 1 18 . 1 1 30 30 HIS C C 30 176.289 176.289 173.685 2.604 25454 7629 1 18 . 1 1 30 30 HIS CA C 30 56.030 56.030 54.754 1.276 25454 7630 1 18 . 1 1 30 30 HIS CB C 30 29.216 29.216 30.411 -1.195 25454 7631 1 18 . 1 1 30 30 HIS H H 30 7.757 7.757 7.963 -0.206 25454 7632 1 18 . 1 1 31 31 GLU N N 31 125.870 125.870 116.463 9.407 25454 7633 1 18 . 1 1 31 31 GLU HA H 31 4.450 4.450 3.809 0.641 25454 7634 1 18 . 1 1 31 31 GLU C C 31 176.775 176.775 175.789 0.986 25454 7635 1 18 . 1 1 31 31 GLU CA C 31 56.160 56.160 56.762 -0.602 25454 7636 1 18 . 1 1 31 31 GLU CB C 31 28.386 28.386 30.084 -1.698 25454 7637 1 18 . 1 1 31 31 GLU H H 31 8.916 8.916 7.204 1.712 25454 7638 1 18 . 1 1 32 32 GLU N N 32 116.185 116.185 120.665 -4.480 25454 7639 1 18 . 1 1 32 32 GLU HA H 32 3.563 3.563 3.013 0.550 25454 7640 1 18 . 1 1 32 32 GLU C C 32 174.994 174.994 176.250 -1.256 25454 7641 1 18 . 1 1 32 32 GLU CA C 32 58.090 58.090 57.779 0.311 25454 7642 1 18 . 1 1 32 32 GLU CB C 32 26.783 26.783 28.834 -2.051 25454 7643 1 18 . 1 1 32 32 GLU H H 32 9.330 9.330 8.537 0.793 25454 7644 1 18 . 1 1 33 33 THR N N 33 110.202 110.202 114.050 -3.848 25454 7645 1 18 . 1 1 33 33 THR HA H 33 4.696 4.696 4.203 0.493 25454 7646 1 18 . 1 1 33 33 THR C C 33 173.529 173.529 174.654 -1.125 25454 7647 1 18 . 1 1 33 33 THR CA C 33 60.129 60.129 62.118 -1.989 25454 7648 1 18 . 1 1 33 33 THR CB C 33 71.864 71.864 69.395 2.469 25454 7649 1 18 . 1 1 33 33 THR H H 33 7.620 7.620 7.721 -0.101 25454 7650 1 18 . 1 1 34 34 VAL N N 34 121.967 121.967 120.144 1.823 25454 7651 1 18 . 1 1 34 34 VAL HA H 34 4.139 4.139 4.436 -0.297 25454 7652 1 18 . 1 1 34 34 VAL C C 34 172.579 172.579 174.094 -1.515 25454 7653 1 18 . 1 1 34 34 VAL CA C 34 63.032 63.032 61.804 1.228 25454 7654 1 18 . 1 1 34 34 VAL CB C 34 32.594 32.594 34.588 -1.994 25454 7655 1 18 . 1 1 34 34 VAL H H 34 8.308 8.308 8.126 0.182 25454 7656 1 18 . 1 1 35 35 TYR N N 35 129.550 129.550 126.116 3.434 25454 7657 1 18 . 1 1 35 35 TYR HA H 35 4.562 4.562 4.540 0.022 25454 7658 1 18 . 1 1 35 35 TYR CA C 35 58.660 58.660 57.151 1.508 25454 7659 1 18 . 1 1 35 35 TYR CB C 35 39.520 39.520 37.235 2.285 25454 7660 1 18 . 1 1 35 35 TYR H H 35 8.610 8.610 9.020 -0.410 25454 7661 1 18 . 1 1 36 36 LYS N N 36 129.360 129.360 119.095 10.265 25454 7662 1 18 . 1 1 36 36 LYS HA H 36 4.411 4.411 3.917 0.494 25454 7663 1 18 . 1 1 36 36 LYS CA C 36 55.626 55.626 56.932 -1.306 25454 7664 1 18 . 1 1 36 36 LYS CB C 36 32.790 32.790 29.782 3.008 25454 7665 1 18 . 1 1 36 36 LYS H H 36 8.509 8.509 7.951 0.558 25454 7666 1 18 . 1 1 37 37 GLY N N 37 109.150 109.150 104.009 5.141 25454 7667 1 18 . 1 1 37 37 GLY C C 37 174.428 174.428 174.848 -0.420 25454 7668 1 18 . 1 1 37 37 GLY CA C 37 46.427 46.427 44.711 1.716 25454 7669 1 18 . 1 1 37 37 GLY H H 37 6.819 6.819 8.275 -1.456 25454 7670 1 18 . 1 1 38 38 GLY N N 38 110.780 110.780 108.937 1.843 25454 7671 1 18 . 1 1 38 38 GLY C C 38 174.108 174.108 173.608 0.500 25454 7672 1 18 . 1 1 38 38 GLY CA C 38 44.972 44.972 44.287 0.685 25454 7673 1 18 . 1 1 38 38 GLY H H 38 8.365 8.365 7.862 0.503 25454 7674 1 18 . 1 1 39 39 ASP N N 39 120.800 120.800 115.905 4.895 25454 7675 1 18 . 1 1 39 39 ASP HA H 39 4.789 4.789 4.741 0.048 25454 7676 1 18 . 1 1 39 39 ASP C C 39 177.820 177.820 177.265 0.555 25454 7677 1 18 . 1 1 39 39 ASP CA C 39 55.340 55.340 54.755 0.585 25454 7678 1 18 . 1 1 39 39 ASP CB C 39 41.150 41.150 41.206 -0.056 25454 7679 1 18 . 1 1 39 39 ASP H H 39 8.476 8.476 8.386 0.090 25454 7680 1 18 . 1 1 40 40 THR N N 40 111.201 111.201 118.564 -7.363 25454 7681 1 18 . 1 1 40 40 THR HA H 40 3.753 3.753 4.411 -0.658 25454 7682 1 18 . 1 1 40 40 THR C C 40 175.526 175.526 175.717 -0.191 25454 7683 1 18 . 1 1 40 40 THR CA C 40 60.300 60.300 61.197 -0.897 25454 7684 1 18 . 1 1 40 40 THR CB C 40 71.278 71.278 67.434 3.844 25454 7685 1 18 . 1 1 40 40 THR H H 40 8.132 8.132 8.228 -0.096 25454 7686 1 18 . 1 1 41 41 VAL N N 41 125.014 125.014 118.919 6.095 25454 7687 1 18 . 1 1 41 41 VAL HA H 41 3.831 3.831 3.420 0.411 25454 7688 1 18 . 1 1 41 41 VAL C C 41 174.100 174.100 175.890 -1.790 25454 7689 1 18 . 1 1 41 41 VAL CA C 41 63.988 63.988 63.098 0.890 25454 7690 1 18 . 1 1 41 41 VAL CB C 41 30.465 30.465 30.928 -0.463 25454 7691 1 18 . 1 1 41 41 VAL H H 41 8.278 8.278 7.596 0.682 25454 7692 1 18 . 1 1 42 42 THR N N 42 121.970 121.970 115.197 6.773 25454 7693 1 18 . 1 1 42 42 THR HA H 42 4.603 4.603 4.062 0.541 25454 7694 1 18 . 1 1 42 42 THR C C 42 172.978 172.978 174.802 -1.824 25454 7695 1 18 . 1 1 42 42 THR CA C 42 60.166 60.166 63.153 -2.987 25454 7696 1 18 . 1 1 42 42 THR CB C 42 70.588 70.588 69.452 1.136 25454 7697 1 18 . 1 1 42 42 THR H H 42 7.849 7.849 7.722 0.127 25454 7698 1 18 . 1 1 43 43 LEU N N 43 122.979 122.979 123.829 -0.850 25454 7699 1 18 . 1 1 43 43 LEU HA H 43 5.041 5.041 4.493 0.548 25454 7700 1 18 . 1 1 43 43 LEU CA C 43 55.072 55.072 54.607 0.465 25454 7701 1 18 . 1 1 43 43 LEU CB C 43 42.661 42.661 42.705 -0.044 25454 7702 1 18 . 1 1 43 43 LEU H H 43 8.310 8.310 8.376 -0.066 25454 7703 1 18 . 1 1 44 44 ASN N N 44 124.579 124.579 119.159 5.420 25454 7704 1 18 . 1 1 44 44 ASN HA H 44 5.135 5.135 4.960 0.175 25454 7705 1 18 . 1 1 44 44 ASN C C 44 175.736 175.736 175.141 0.595 25454 7706 1 18 . 1 1 44 44 ASN CA C 44 50.814 50.814 51.898 -1.084 25454 7707 1 18 . 1 1 44 44 ASN CB C 44 40.280 40.280 40.507 -0.227 25454 7708 1 18 . 1 1 44 44 ASN H H 44 9.542 9.542 8.136 1.406 25454 7709 1 18 . 1 1 45 45 GLU N N 45 118.210 118.210 119.201 -0.991 25454 7710 1 18 . 1 1 45 45 GLU HA H 45 4.088 4.088 4.025 0.063 25454 7711 1 18 . 1 1 45 45 GLU C C 45 179.010 179.010 178.564 0.446 25454 7712 1 18 . 1 1 45 45 GLU CA C 45 60.349 60.349 59.899 0.450 25454 7713 1 18 . 1 1 45 45 GLU CB C 45 28.908 28.908 29.537 -0.629 25454 7714 1 18 . 1 1 45 45 GLU H H 45 8.752 8.752 8.989 -0.237 25454 7715 1 18 . 1 1 46 46 THR N N 46 116.430 116.430 116.950 -0.520 25454 7716 1 18 . 1 1 46 46 THR HA H 46 4.114 4.114 4.000 0.114 25454 7717 1 18 . 1 1 46 46 THR C C 46 176.994 176.994 176.114 0.880 25454 7718 1 18 . 1 1 46 46 THR CA C 46 66.260 66.260 67.223 -0.963 25454 7719 1 18 . 1 1 46 46 THR CB C 46 68.270 68.270 68.696 -0.426 25454 7720 1 18 . 1 1 46 46 THR H H 46 8.043 8.043 7.873 0.170 25454 7721 1 18 . 1 1 47 47 ASP N N 47 124.380 124.380 122.398 1.982 25454 7722 1 18 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.546 -0.202 25454 7723 1 18 . 1 1 47 47 ASP C C 47 178.914 178.914 178.534 0.380 25454 7724 1 18 . 1 1 47 47 ASP CA C 47 58.630 58.630 57.431 1.200 25454 7725 1 18 . 1 1 47 47 ASP CB C 47 42.350 42.350 40.568 1.782 25454 7726 1 18 . 1 1 47 47 ASP H H 47 8.475 8.475 8.042 0.433 25454 7727 1 18 . 1 1 48 48 LEU N N 48 116.889 116.889 119.211 -2.322 25454 7728 1 18 . 1 1 48 48 LEU HA H 48 4.118 4.118 4.166 -0.048 25454 7729 1 18 . 1 1 48 48 LEU C C 48 175.839 175.839 179.102 -3.263 25454 7730 1 18 . 1 1 48 48 LEU CA C 48 57.432 57.432 57.876 -0.444 25454 7731 1 18 . 1 1 48 48 LEU CB C 48 41.430 41.430 41.756 -0.326 25454 7732 1 18 . 1 1 48 48 LEU H H 48 8.082 8.082 8.340 -0.258 25454 7733 1 18 . 1 1 49 49 THR N N 49 112.550 112.550 115.209 -2.659 25454 7734 1 18 . 1 1 49 49 THR HA H 49 4.310 4.310 4.185 0.125 25454 7735 1 18 . 1 1 49 49 THR C C 49 177.306 177.306 176.397 0.909 25454 7736 1 18 . 1 1 49 49 THR CA C 49 64.520 64.520 66.017 -1.497 25454 7737 1 18 . 1 1 49 49 THR CB C 49 69.525 69.525 68.976 0.549 25454 7738 1 18 . 1 1 49 49 THR H H 49 7.743 7.743 7.864 -0.121 25454 7739 1 18 . 1 1 50 50 GLN N N 50 121.570 121.570 120.936 0.634 25454 7740 1 18 . 1 1 50 50 GLN HA H 50 4.344 4.344 4.276 0.068 25454 7741 1 18 . 1 1 50 50 GLN C C 50 178.308 178.308 178.314 -0.006 25454 7742 1 18 . 1 1 50 50 GLN CA C 50 58.630 58.630 57.800 0.830 25454 7743 1 18 . 1 1 50 50 GLN CB C 50 30.850 30.850 28.447 2.403 25454 7744 1 18 . 1 1 50 50 GLN H H 50 8.519 8.519 8.134 0.385 25454 7745 1 18 . 1 1 51 51 ILE N N 51 120.320 120.320 121.441 -1.121 25454 7746 1 18 . 1 1 51 51 ILE HA H 51 3.573 3.573 3.997 -0.424 25454 7747 1 18 . 1 1 51 51 ILE CA C 51 69.155 69.155 66.137 3.018 25454 7748 1 18 . 1 1 51 51 ILE CB C 51 35.659 35.659 35.610 0.049 25454 7749 1 18 . 1 1 51 51 ILE H H 51 8.663 8.663 8.667 -0.004 25454 7750 1 18 . 1 1 52 52 PRO HA H 52 4.301 4.301 4.387 -0.086 25454 7751 1 18 . 1 1 52 52 PRO C C 52 179.686 179.686 178.774 0.912 25454 7752 1 18 . 1 1 52 52 PRO CA C 52 66.190 66.190 65.580 0.610 25454 7753 1 18 . 1 1 52 52 PRO CB C 52 31.270 31.270 31.192 0.079 25454 7754 1 18 . 1 1 53 53 LYS N N 53 116.520 116.520 118.578 -2.058 25454 7755 1 18 . 1 1 53 53 LYS HA H 53 4.231 4.231 4.186 0.045 25454 7756 1 18 . 1 1 53 53 LYS C C 53 179.475 179.475 179.181 0.294 25454 7757 1 18 . 1 1 53 53 LYS CA C 53 59.017 59.017 58.594 0.423 25454 7758 1 18 . 1 1 53 53 LYS CB C 53 31.796 31.796 31.849 -0.053 25454 7759 1 18 . 1 1 53 53 LYS H H 53 7.016 7.016 7.491 -0.475 25454 7760 1 18 . 1 1 54 54 VAL N N 54 125.220 125.220 115.602 9.618 25454 7761 1 18 . 1 1 54 54 VAL HA H 54 3.022 3.022 3.971 -0.949 25454 7762 1 18 . 1 1 54 54 VAL C C 54 177.692 177.692 177.306 0.386 25454 7763 1 18 . 1 1 54 54 VAL CA C 54 65.860 65.860 65.164 0.696 25454 7764 1 18 . 1 1 54 54 VAL CB C 54 30.623 30.623 31.314 -0.691 25454 7765 1 18 . 1 1 54 54 VAL H H 54 8.068 8.068 8.244 -0.176 25454 7766 1 18 . 1 1 55 55 ILE N N 55 119.943 119.943 121.039 -1.096 25454 7767 1 18 . 1 1 55 55 ILE HA H 55 3.641 3.641 4.175 -0.534 25454 7768 1 18 . 1 1 55 55 ILE C C 55 177.515 177.515 177.821 -0.306 25454 7769 1 18 . 1 1 55 55 ILE CA C 55 66.896 66.896 64.956 1.940 25454 7770 1 18 . 1 1 55 55 ILE CB C 55 38.500 38.500 38.322 0.178 25454 7771 1 18 . 1 1 55 55 ILE H H 55 7.589 7.589 7.403 0.186 25454 7772 1 18 . 1 1 56 56 GLU N N 56 118.310 118.310 121.053 -2.743 25454 7773 1 18 . 1 1 56 56 GLU HA H 56 4.010 4.010 4.009 0.001 25454 7774 1 18 . 1 1 56 56 GLU C C 56 178.518 178.518 179.180 -0.662 25454 7775 1 18 . 1 1 56 56 GLU CA C 56 59.603 59.603 59.924 -0.321 25454 7776 1 18 . 1 1 56 56 GLU CB C 56 29.776 29.776 29.658 0.118 25454 7777 1 18 . 1 1 56 56 GLU H H 56 7.794 7.794 8.584 -0.790 25454 7778 1 18 . 1 1 57 57 TYR N N 57 120.510 120.510 119.458 1.052 25454 7779 1 18 . 1 1 57 57 TYR HA H 57 4.239 4.239 4.296 -0.057 25454 7780 1 18 . 1 1 57 57 TYR C C 57 178.919 178.919 177.952 0.967 25454 7781 1 18 . 1 1 57 57 TYR CA C 57 61.600 61.600 59.849 1.751 25454 7782 1 18 . 1 1 57 57 TYR CB C 57 39.060 39.060 37.755 1.305 25454 7783 1 18 . 1 1 57 57 TYR H H 57 8.495 8.495 8.579 -0.084 25454 7784 1 18 . 1 1 58 58 CYS N N 58 117.760 117.760 117.976 -0.216 25454 7785 1 18 . 1 1 58 58 CYS HA H 58 4.685 4.685 4.364 0.321 25454 7786 1 18 . 1 1 58 58 CYS C C 58 177.217 177.217 176.573 0.644 25454 7787 1 18 . 1 1 58 58 CYS CA C 58 52.020 52.020 61.691 -9.671 25454 7788 1 18 . 1 1 58 58 CYS CB C 58 31.667 31.667 27.118 4.549 25454 7789 1 18 . 1 1 58 58 CYS H H 58 8.672 8.672 7.898 0.774 25454 7790 1 18 . 1 1 59 59 LYS N N 59 120.550 120.550 120.325 0.225 25454 7791 1 18 . 1 1 59 59 LYS HA H 59 4.008 4.008 4.158 -0.150 25454 7792 1 18 . 1 1 59 59 LYS C C 59 179.247 179.247 178.452 0.795 25454 7793 1 18 . 1 1 59 59 LYS CA C 59 59.790 59.790 58.762 1.028 25454 7794 1 18 . 1 1 59 59 LYS CB C 59 32.800 32.800 32.207 0.593 25454 7795 1 18 . 1 1 59 59 LYS H H 59 8.481 8.481 8.323 0.158 25454 7796 1 18 . 1 1 60 60 LYS N N 60 116.830 116.830 117.988 -1.158 25454 7797 1 18 . 1 1 60 60 LYS HA H 60 4.166 4.166 4.296 -0.130 25454 7798 1 18 . 1 1 60 60 LYS C C 60 176.432 176.432 177.366 -0.934 25454 7799 1 18 . 1 1 60 60 LYS CA C 60 57.260 57.260 57.801 -0.541 25454 7800 1 18 . 1 1 60 60 LYS CB C 60 33.760 33.760 33.429 0.331 25454 7801 1 18 . 1 1 60 60 LYS H H 60 7.455 7.455 8.327 -0.872 25454 7802 1 18 . 1 1 61 61 ASN N N 61 117.140 117.140 119.437 -2.297 25454 7803 1 18 . 1 1 61 61 ASN HA H 61 4.686 4.686 5.414 -0.728 25454 7804 1 18 . 1 1 61 61 ASN CA C 61 51.300 51.300 50.943 0.357 25454 7805 1 18 . 1 1 61 61 ASN CB C 61 40.208 40.208 40.206 0.002 25454 7806 1 18 . 1 1 61 61 ASN H H 61 7.368 7.368 8.163 -0.795 25454 7807 1 18 . 1 1 62 62 PRO HA H 62 4.227 4.227 4.550 -0.323 25454 7808 1 18 . 1 1 62 62 PRO C C 62 177.511 177.511 177.874 -0.363 25454 7809 1 18 . 1 1 62 62 PRO CA C 62 65.430 65.430 64.916 0.514 25454 7810 1 18 . 1 1 62 62 PRO CB C 62 31.800 31.800 32.263 -0.463 25454 7811 1 18 . 1 1 63 63 GLN N N 63 114.045 114.045 114.893 -0.848 25454 7812 1 18 . 1 1 63 63 GLN HA H 63 4.450 4.450 4.241 0.209 25454 7813 1 18 . 1 1 63 63 GLN C C 63 177.766 177.766 176.448 1.318 25454 7814 1 18 . 1 1 63 63 GLN CA C 63 56.200 56.200 56.983 -0.783 25454 7815 1 18 . 1 1 63 63 GLN CB C 63 28.200 28.200 28.237 -0.037 25454 7816 1 18 . 1 1 63 63 GLN H H 63 8.578 8.578 8.359 0.219 25454 7817 1 18 . 1 1 64 64 LYS N N 64 119.960 119.960 120.699 -0.739 25454 7818 1 18 . 1 1 64 64 LYS HA H 64 4.452 4.452 4.189 0.263 25454 7819 1 18 . 1 1 64 64 LYS C C 64 176.151 176.151 175.552 0.599 25454 7820 1 18 . 1 1 64 64 LYS CA C 64 55.660 55.660 55.783 -0.123 25454 7821 1 18 . 1 1 64 64 LYS CB C 64 33.500 33.500 32.947 0.553 25454 7822 1 18 . 1 1 64 64 LYS H H 64 7.628 7.628 7.590 0.038 25454 7823 1 18 . 1 1 65 65 ASN N N 65 120.139 120.139 117.803 2.336 25454 7824 1 18 . 1 1 65 65 ASN HA H 65 4.807 4.807 4.536 0.271 25454 7825 1 18 . 1 1 65 65 ASN CA C 65 54.070 54.070 53.099 0.971 25454 7826 1 18 . 1 1 65 65 ASN CB C 65 38.070 38.070 39.525 -1.455 25454 7827 1 18 . 1 1 65 65 ASN H H 65 8.936 8.936 8.232 0.704 25454 7828 1 18 . 1 1 66 66 LEU N N 66 129.960 129.960 125.041 4.919 25454 7829 1 18 . 1 1 66 66 LEU HA H 66 4.165 4.165 3.607 0.558 25454 7830 1 18 . 1 1 66 66 LEU C C 66 176.948 176.948 177.416 -0.468 25454 7831 1 18 . 1 1 66 66 LEU CA C 66 59.220 59.220 56.984 2.236 25454 7832 1 18 . 1 1 66 66 LEU CB C 66 42.830 42.830 42.233 0.597 25454 7833 1 18 . 1 1 66 66 LEU H H 66 8.939 8.939 8.139 0.800 25454 7834 1 18 . 1 1 67 67 TYR N N 67 115.770 115.770 115.133 0.637 25454 7835 1 18 . 1 1 67 67 TYR HA H 67 4.077 4.077 4.349 -0.272 25454 7836 1 18 . 1 1 67 67 TYR C C 67 178.731 178.731 177.772 0.959 25454 7837 1 18 . 1 1 67 67 TYR CA C 67 61.277 61.277 59.637 1.640 25454 7838 1 18 . 1 1 67 67 TYR CB C 67 36.768 36.768 38.304 -1.536 25454 7839 1 18 . 1 1 67 67 TYR H H 67 9.409 9.409 7.725 1.684 25454 7840 1 18 . 1 1 68 68 THR N N 68 112.470 112.470 116.866 -4.396 25454 7841 1 18 . 1 1 68 68 THR HA H 68 4.268 4.268 4.114 0.154 25454 7842 1 18 . 1 1 68 68 THR C C 68 176.104 176.104 176.662 -0.558 25454 7843 1 18 . 1 1 68 68 THR CA C 68 64.650 64.650 64.969 -0.319 25454 7844 1 18 . 1 1 68 68 THR CB C 68 70.268 70.268 68.187 2.081 25454 7845 1 18 . 1 1 68 68 THR H H 68 8.076 8.076 8.069 0.007 25454 7846 1 18 . 1 1 69 69 PHE N N 69 123.660 123.660 119.833 3.827 25454 7847 1 18 . 1 1 69 69 PHE HA H 69 2.811 2.811 4.442 -1.631 25454 7848 1 18 . 1 1 69 69 PHE C C 69 176.290 176.290 176.599 -0.309 25454 7849 1 18 . 1 1 69 69 PHE CA C 69 61.510 61.510 57.450 4.060 25454 7850 1 18 . 1 1 69 69 PHE CB C 69 39.610 39.610 37.498 2.112 25454 7851 1 18 . 1 1 69 69 PHE H H 69 7.969 7.969 7.619 0.350 25454 7852 1 18 . 1 1 70 70 LYS N N 70 113.530 113.530 119.689 -6.159 25454 7853 1 18 . 1 1 70 70 LYS HA H 70 3.757 3.757 4.063 -0.306 25454 7854 1 18 . 1 1 70 70 LYS C C 70 176.269 176.269 178.032 -1.763 25454 7855 1 18 . 1 1 70 70 LYS CA C 70 57.840 57.840 57.703 0.137 25454 7856 1 18 . 1 1 70 70 LYS CB C 70 32.520 32.520 32.224 0.296 25454 7857 1 18 . 1 1 70 70 LYS H H 70 6.957 6.957 7.996 -1.039 25454 7858 1 18 . 1 1 71 71 ASN N N 71 117.360 117.360 116.796 0.564 25454 7859 1 18 . 1 1 71 71 ASN HA H 71 4.652 4.652 4.485 0.167 25454 7860 1 18 . 1 1 71 71 ASN C C 71 175.155 175.155 176.714 -1.559 25454 7861 1 18 . 1 1 71 71 ASN CA C 71 53.273 53.273 55.403 -2.130 25454 7862 1 18 . 1 1 71 71 ASN CB C 71 38.870 38.870 38.369 0.501 25454 7863 1 18 . 1 1 71 71 ASN H H 71 7.488 7.488 8.039 -0.551 25454 7864 1 18 . 1 1 72 72 GLN N N 72 119.610 119.610 115.889 3.721 25454 7865 1 18 . 1 1 72 72 GLN HA H 72 4.202 4.202 4.359 -0.157 25454 7866 1 18 . 1 1 72 72 GLN C C 72 179.467 179.467 176.813 2.654 25454 7867 1 18 . 1 1 72 72 GLN CA C 72 56.160 56.160 57.314 -1.154 25454 7868 1 18 . 1 1 72 72 GLN CB C 72 29.460 29.460 28.741 0.719 25454 7869 1 18 . 1 1 72 72 GLN H H 72 7.611 7.611 8.008 -0.397 25454 7870 1 18 . 1 1 73 73 ALA N N 73 125.130 125.130 122.555 2.575 25454 7871 1 18 . 1 1 73 73 ALA HA H 73 4.198 4.198 4.272 -0.074 25454 7872 1 18 . 1 1 73 73 ALA C C 73 177.907 177.907 177.725 0.182 25454 7873 1 18 . 1 1 73 73 ALA CA C 73 52.761 52.761 52.234 0.527 25454 7874 1 18 . 1 1 73 73 ALA CB C 73 19.028 19.028 19.881 -0.853 25454 7875 1 18 . 1 1 73 73 ALA H H 73 8.072 8.072 7.517 0.555 25454 7876 1 18 . 1 1 74 74 SER N N 74 115.100 115.100 112.292 2.808 25454 7877 1 18 . 1 1 74 74 SER HA H 74 4.344 4.344 4.129 0.215 25454 7878 1 18 . 1 1 74 74 SER C C 74 174.562 174.562 174.077 0.485 25454 7879 1 18 . 1 1 74 74 SER CA C 74 58.640 58.640 58.748 -0.108 25454 7880 1 18 . 1 1 74 74 SER CB C 74 63.660 63.660 62.331 1.329 25454 7881 1 18 . 1 1 74 74 SER H H 74 8.114 8.114 7.910 0.204 25454 7882 1 18 . 1 1 75 75 ASN N N 75 120.950 120.950 117.006 3.944 25454 7883 1 18 . 1 1 75 75 ASN HA H 75 4.698 4.698 4.593 0.105 25454 7884 1 18 . 1 1 75 75 ASN C C 75 174.790 174.790 176.246 -1.456 25454 7885 1 18 . 1 1 75 75 ASN CA C 75 53.340 53.340 54.114 -0.774 25454 7886 1 18 . 1 1 75 75 ASN CB C 75 38.980 38.980 38.756 0.224 25454 7887 1 18 . 1 1 75 75 ASN H H 75 8.283 8.283 8.272 0.011 25454 7888 1 18 . 1 1 76 76 ASP N N 76 120.550 120.550 118.459 2.091 25454 7889 1 18 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.690 -0.087 25454 7890 1 18 . 1 1 76 76 ASP C C 76 175.588 175.588 174.401 1.187 25454 7891 1 18 . 1 1 76 76 ASP CA C 76 53.940 53.940 52.810 1.130 25454 7892 1 18 . 1 1 76 76 ASP CB C 76 40.510 40.510 38.593 1.917 25454 7893 1 18 . 1 1 76 76 ASP H H 76 8.201 8.201 8.401 -0.200 25454 7894 1 18 . 1 1 77 77 LEU N N 77 123.780 123.780 115.245 8.535 25454 7895 1 18 . 1 1 77 77 LEU HA H 77 4.600 4.600 4.248 0.352 25454 7896 1 18 . 1 1 77 77 LEU CA C 77 52.980 52.980 52.309 0.671 25454 7897 1 18 . 1 1 77 77 LEU CB C 77 41.850 41.850 42.696 -0.846 25454 7898 1 18 . 1 1 77 77 LEU H H 77 8.021 8.021 7.053 0.968 25454 7899 1 18 . 1 1 78 78 PRO HA H 78 4.417 4.417 4.588 -0.171 25454 7900 1 18 . 1 1 78 78 PRO C C 78 176.058 176.058 175.979 0.079 25454 7901 1 18 . 1 1 78 78 PRO CA C 78 63.260 63.260 62.757 0.503 25454 7902 1 18 . 1 1 78 78 PRO CB C 78 31.956 31.956 32.150 -0.194 25454 7903 1 19 . 1 1 2 2 ASN N N 2 118.440 118.440 117.937 0.503 25454 7904 1 19 . 1 1 2 2 ASN HA H 2 4.660 4.660 4.664 -0.004 25454 7905 1 19 . 1 1 2 2 ASN C C 2 174.884 174.884 175.481 -0.597 25454 7906 1 19 . 1 1 2 2 ASN CA C 2 53.730 53.730 53.275 0.455 25454 7907 1 19 . 1 1 2 2 ASN CB C 2 38.500 38.500 38.473 0.027 25454 7908 1 19 . 1 1 2 2 ASN H H 2 8.869 8.869 8.345 0.524 25454 7909 1 19 . 1 1 3 3 GLU N N 3 121.390 121.390 119.336 2.054 25454 7910 1 19 . 1 1 3 3 GLU HA H 3 4.416 4.416 4.114 0.302 25454 7911 1 19 . 1 1 3 3 GLU C C 3 175.916 175.916 176.270 -0.354 25454 7912 1 19 . 1 1 3 3 GLU CA C 3 56.300 56.300 56.985 -0.685 25454 7913 1 19 . 1 1 3 3 GLU CB C 3 29.810 29.810 29.805 0.005 25454 7914 1 19 . 1 1 3 3 GLU H H 3 8.560 8.560 8.605 -0.045 25454 7915 1 19 . 1 1 4 4 SER N N 4 118.190 118.190 113.396 4.794 25454 7916 1 19 . 1 1 4 4 SER HA H 4 4.716 4.716 4.271 0.445 25454 7917 1 19 . 1 1 4 4 SER C C 4 175.686 175.686 175.061 0.625 25454 7918 1 19 . 1 1 4 4 SER CA C 4 57.890 57.890 57.534 0.356 25454 7919 1 19 . 1 1 4 4 SER CB C 4 65.080 65.080 62.761 2.319 25454 7920 1 19 . 1 1 4 4 SER H H 4 8.802 8.802 7.884 0.918 25454 7921 1 19 . 1 1 5 5 ALA N N 5 128.990 128.990 128.480 0.510 25454 7922 1 19 . 1 1 5 5 ALA HA H 5 4.142 4.142 4.108 0.034 25454 7923 1 19 . 1 1 5 5 ALA C C 5 179.112 179.112 178.719 0.393 25454 7924 1 19 . 1 1 5 5 ALA CA C 5 55.880 55.880 54.880 1.000 25454 7925 1 19 . 1 1 5 5 ALA CB C 5 18.110 18.110 19.080 -0.970 25454 7926 1 19 . 1 1 5 5 ALA H H 5 8.992 8.992 9.034 -0.042 25454 7927 1 19 . 1 1 6 6 LYS N N 6 114.810 114.810 114.419 0.391 25454 7928 1 19 . 1 1 6 6 LYS HA H 6 3.221 3.221 3.054 0.168 25454 7929 1 19 . 1 1 6 6 LYS C C 6 177.448 177.448 175.862 1.586 25454 7930 1 19 . 1 1 6 6 LYS CA C 6 57.740 57.740 56.962 0.778 25454 7931 1 19 . 1 1 6 6 LYS CB C 6 31.830 31.830 31.034 0.796 25454 7932 1 19 . 1 1 6 6 LYS H H 6 7.776 7.776 8.126 -0.350 25454 7933 1 19 . 1 1 7 7 ASP N N 7 119.190 119.190 118.342 0.848 25454 7934 1 19 . 1 1 7 7 ASP HA H 7 4.748 4.748 4.843 -0.095 25454 7935 1 19 . 1 1 7 7 ASP C C 7 176.254 176.254 175.311 0.943 25454 7936 1 19 . 1 1 7 7 ASP CA C 7 53.800 53.800 52.809 0.992 25454 7937 1 19 . 1 1 7 7 ASP CB C 7 41.560 41.560 42.047 -0.487 25454 7938 1 19 . 1 1 7 7 ASP H H 7 7.744 7.744 7.623 0.121 25454 7939 1 19 . 1 1 8 8 MET N N 8 122.540 122.540 121.221 1.319 25454 7940 1 19 . 1 1 8 8 MET HA H 8 4.502 4.502 4.437 0.065 25454 7941 1 19 . 1 1 8 8 MET C C 8 176.932 176.932 175.812 1.120 25454 7942 1 19 . 1 1 8 8 MET CA C 8 56.390 56.390 56.626 -0.236 25454 7943 1 19 . 1 1 8 8 MET CB C 8 35.300 35.300 33.357 1.943 25454 7944 1 19 . 1 1 8 8 MET H H 8 7.925 7.925 7.416 0.509 25454 7945 1 19 . 1 1 9 9 THR N N 9 121.410 121.410 121.622 -0.212 25454 7946 1 19 . 1 1 9 9 THR HA H 9 4.794 4.794 4.476 0.318 25454 7947 1 19 . 1 1 9 9 THR C C 9 176.198 176.198 175.391 0.807 25454 7948 1 19 . 1 1 9 9 THR CA C 9 61.960 61.960 62.445 -0.485 25454 7949 1 19 . 1 1 9 9 THR CB C 9 72.200 72.200 70.129 2.071 25454 7950 1 19 . 1 1 9 9 THR H H 9 9.927 9.927 8.264 1.663 25454 7951 1 19 . 1 1 10 10 CYS N N 10 121.150 121.150 125.329 -4.179 25454 7952 1 19 . 1 1 10 10 CYS HA H 10 4.685 4.685 4.246 0.439 25454 7953 1 19 . 1 1 10 10 CYS C C 10 177.324 177.324 177.086 0.238 25454 7954 1 19 . 1 1 10 10 CYS CA C 10 56.970 56.970 62.370 -5.400 25454 7955 1 19 . 1 1 10 10 CYS CB C 10 32.440 32.440 25.792 6.648 25454 7956 1 19 . 1 1 10 10 CYS H H 10 9.765 9.765 8.871 0.894 25454 7957 1 19 . 1 1 11 11 GLN N N 11 121.360 121.360 119.620 1.740 25454 7958 1 19 . 1 1 11 11 GLN HA H 11 3.894 3.894 4.138 -0.244 25454 7959 1 19 . 1 1 11 11 GLN C C 11 176.902 176.902 177.327 -0.425 25454 7960 1 19 . 1 1 11 11 GLN CA C 11 58.680 58.680 58.510 0.170 25454 7961 1 19 . 1 1 11 11 GLN CB C 11 28.900 28.900 28.342 0.558 25454 7962 1 19 . 1 1 11 11 GLN H H 11 8.583 8.583 8.213 0.370 25454 7963 1 19 . 1 1 12 12 GLU N N 12 117.090 117.090 119.462 -2.372 25454 7964 1 19 . 1 1 12 12 GLU HA H 12 3.983 3.983 4.155 -0.172 25454 7965 1 19 . 1 1 12 12 GLU C C 12 179.763 179.763 178.937 0.826 25454 7966 1 19 . 1 1 12 12 GLU CA C 12 59.528 59.528 57.817 1.711 25454 7967 1 19 . 1 1 12 12 GLU CB C 12 31.830 31.830 29.880 1.950 25454 7968 1 19 . 1 1 12 12 GLU H H 12 7.867 7.867 7.708 0.159 25454 7969 1 19 . 1 1 13 13 PHE N N 13 119.630 119.630 122.231 -2.601 25454 7970 1 19 . 1 1 13 13 PHE HA H 13 4.269 4.269 4.247 0.022 25454 7971 1 19 . 1 1 13 13 PHE C C 13 176.432 176.432 178.050 -1.618 25454 7972 1 19 . 1 1 13 13 PHE CA C 13 61.150 61.150 61.416 -0.266 25454 7973 1 19 . 1 1 13 13 PHE CB C 13 39.520 39.520 39.603 -0.083 25454 7974 1 19 . 1 1 13 13 PHE H H 13 8.182 8.182 8.600 -0.418 25454 7975 1 19 . 1 1 14 14 ILE N N 14 114.180 114.180 114.016 0.164 25454 7976 1 19 . 1 1 14 14 ILE HA H 14 3.761 3.761 3.827 -0.066 25454 7977 1 19 . 1 1 14 14 ILE C C 14 177.089 177.089 176.040 1.049 25454 7978 1 19 . 1 1 14 14 ILE CA C 14 63.030 63.030 63.374 -0.344 25454 7979 1 19 . 1 1 14 14 ILE CB C 14 36.740 36.740 37.329 -0.589 25454 7980 1 19 . 1 1 14 14 ILE H H 14 8.191 8.191 8.100 0.091 25454 7981 1 19 . 1 1 15 15 ASP N N 15 120.260 120.260 119.295 0.965 25454 7982 1 19 . 1 1 15 15 ASP HA H 15 4.716 4.716 4.720 -0.004 25454 7983 1 19 . 1 1 15 15 ASP C C 15 174.697 174.697 176.317 -1.620 25454 7984 1 19 . 1 1 15 15 ASP CA C 15 54.080 54.080 53.802 0.278 25454 7985 1 19 . 1 1 15 15 ASP CB C 15 40.810 40.810 42.350 -1.540 25454 7986 1 19 . 1 1 15 15 ASP H H 15 7.478 7.478 7.719 -0.241 25454 7987 1 19 . 1 1 16 16 LEU N N 16 122.985 122.985 119.432 3.553 25454 7988 1 19 . 1 1 16 16 LEU HA H 16 4.067 4.067 4.324 -0.257 25454 7989 1 19 . 1 1 16 16 LEU C C 16 176.710 176.710 176.174 0.536 25454 7990 1 19 . 1 1 16 16 LEU CA C 16 55.028 55.028 55.109 -0.081 25454 7991 1 19 . 1 1 16 16 LEU CB C 16 43.370 43.370 42.648 0.722 25454 7992 1 19 . 1 1 16 16 LEU H H 16 7.226 7.226 7.361 -0.135 25454 7993 1 19 . 1 1 17 17 ASN N N 17 119.620 119.620 119.631 -0.011 25454 7994 1 19 . 1 1 17 17 ASN HA H 17 4.634 4.634 4.779 -0.145 25454 7995 1 19 . 1 1 17 17 ASN CA C 17 52.048 52.048 51.218 0.830 25454 7996 1 19 . 1 1 17 17 ASN CB C 17 39.480 39.480 38.516 0.964 25454 7997 1 19 . 1 1 17 17 ASN H H 17 7.265 7.265 8.392 -1.127 25454 7998 1 19 . 1 1 18 18 PRO HA H 18 4.137 4.137 4.134 0.003 25454 7999 1 19 . 1 1 18 18 PRO C C 18 179.247 179.247 177.873 1.374 25454 8000 1 19 . 1 1 18 18 PRO CA C 18 65.370 65.370 64.698 0.672 25454 8001 1 19 . 1 1 18 18 PRO CB C 18 32.610 32.610 31.874 0.736 25454 8002 1 19 . 1 1 19 19 LYS N N 19 116.450 116.450 118.884 -2.434 25454 8003 1 19 . 1 1 19 19 LYS HA H 19 3.856 3.856 3.966 -0.110 25454 8004 1 19 . 1 1 19 19 LYS C C 19 176.995 176.995 178.903 -1.908 25454 8005 1 19 . 1 1 19 19 LYS CA C 19 59.080 59.080 59.669 -0.589 25454 8006 1 19 . 1 1 19 19 LYS CB C 19 34.940 34.940 31.998 2.942 25454 8007 1 19 . 1 1 19 19 LYS H H 19 8.445 8.445 8.760 -0.315 25454 8008 1 19 . 1 1 20 20 ALA N N 20 116.170 116.170 121.405 -5.235 25454 8009 1 19 . 1 1 20 20 ALA HA H 20 4.255 4.255 4.341 -0.086 25454 8010 1 19 . 1 1 20 20 ALA C C 20 177.511 177.511 179.316 -1.805 25454 8011 1 19 . 1 1 20 20 ALA CA C 20 51.640 51.640 53.760 -2.120 25454 8012 1 19 . 1 1 20 20 ALA CB C 20 21.660 21.660 17.957 3.703 25454 8013 1 19 . 1 1 20 20 ALA H H 20 8.400 8.400 7.784 0.616 25454 8014 1 19 . 1 1 21 21 MET N N 21 117.850 117.850 119.424 -1.574 25454 8015 1 19 . 1 1 21 21 MET HA H 21 3.645 3.645 3.940 -0.295 25454 8016 1 19 . 1 1 21 21 MET C C 21 177.511 177.511 177.692 -0.181 25454 8017 1 19 . 1 1 21 21 MET CA C 21 61.418 61.418 59.888 1.530 25454 8018 1 19 . 1 1 21 21 MET CB C 21 33.220 33.220 32.632 0.588 25454 8019 1 19 . 1 1 21 21 MET H H 21 7.206 7.206 8.403 -1.197 25454 8020 1 19 . 1 1 22 22 THR N N 22 114.690 114.690 115.580 -0.890 25454 8021 1 19 . 1 1 22 22 THR HA H 22 4.115 4.115 4.216 -0.101 25454 8022 1 19 . 1 1 22 22 THR CA C 22 69.550 69.550 68.515 1.035 25454 8023 1 19 . 1 1 22 22 THR CB C 22 65.700 65.700 66.986 -1.286 25454 8024 1 19 . 1 1 22 22 THR H H 22 8.695 8.695 7.698 0.997 25454 8025 1 19 . 1 1 23 23 PRO HA H 23 3.550 3.550 4.198 -0.648 25454 8026 1 19 . 1 1 23 23 PRO C C 23 178.637 178.637 178.391 0.246 25454 8027 1 19 . 1 1 23 23 PRO CA C 23 65.770 65.770 65.859 -0.089 25454 8028 1 19 . 1 1 23 23 PRO CB C 23 31.182 31.182 31.077 0.105 25454 8029 1 19 . 1 1 24 24 VAL N N 24 115.820 115.820 118.973 -3.153 25454 8030 1 19 . 1 1 24 24 VAL HA H 24 3.675 3.675 3.954 -0.279 25454 8031 1 19 . 1 1 24 24 VAL C C 24 177.464 177.464 177.514 -0.050 25454 8032 1 19 . 1 1 24 24 VAL CA C 24 67.490 67.490 65.252 2.237 25454 8033 1 19 . 1 1 24 24 VAL CB C 24 31.970 31.970 31.425 0.545 25454 8034 1 19 . 1 1 24 24 VAL H H 24 7.441 7.441 7.501 -0.060 25454 8035 1 19 . 1 1 25 25 ALA N N 25 122.670 122.670 121.275 1.395 25454 8036 1 19 . 1 1 25 25 ALA HA H 25 3.783 3.783 4.364 -0.581 25454 8037 1 19 . 1 1 25 25 ALA C C 25 178.497 178.497 178.788 -0.291 25454 8038 1 19 . 1 1 25 25 ALA CA C 25 55.620 55.620 54.868 0.752 25454 8039 1 19 . 1 1 25 25 ALA CB C 25 18.852 18.852 18.536 0.316 25454 8040 1 19 . 1 1 25 25 ALA H H 25 8.805 8.805 8.562 0.243 25454 8041 1 19 . 1 1 26 26 TRP N N 26 118.270 118.270 120.099 -1.829 25454 8042 1 19 . 1 1 26 26 TRP HA H 26 3.709 3.709 4.715 -1.006 25454 8043 1 19 . 1 1 26 26 TRP C C 26 178.309 178.309 177.069 1.240 25454 8044 1 19 . 1 1 26 26 TRP CA C 26 63.940 63.940 59.336 4.604 25454 8045 1 19 . 1 1 26 26 TRP CB C 26 29.740 29.740 31.196 -1.456 25454 8046 1 19 . 1 1 26 26 TRP H H 26 9.181 9.181 7.567 1.614 25454 8047 1 19 . 1 1 27 27 TRP N N 27 119.740 119.740 122.366 -2.626 25454 8048 1 19 . 1 1 27 27 TRP HA H 27 4.118 4.118 4.275 -0.157 25454 8049 1 19 . 1 1 27 27 TRP C C 27 177.511 177.511 177.573 -0.062 25454 8050 1 19 . 1 1 27 27 TRP CA C 27 60.588 60.588 60.036 0.552 25454 8051 1 19 . 1 1 27 27 TRP CB C 27 30.021 30.021 30.437 -0.416 25454 8052 1 19 . 1 1 27 27 TRP H H 27 8.527 8.527 9.133 -0.606 25454 8053 1 19 . 1 1 28 28 MET N N 28 119.130 119.130 118.469 0.661 25454 8054 1 19 . 1 1 28 28 MET HA H 28 3.618 3.618 3.566 0.052 25454 8055 1 19 . 1 1 28 28 MET C C 28 177.587 177.587 177.252 0.335 25454 8056 1 19 . 1 1 28 28 MET CA C 28 58.540 58.540 57.994 0.546 25454 8057 1 19 . 1 1 28 28 MET CB C 28 29.392 29.392 31.468 -2.076 25454 8058 1 19 . 1 1 28 28 MET H H 28 7.756 7.756 7.933 -0.177 25454 8059 1 19 . 1 1 29 29 LEU N N 29 117.820 117.820 118.622 -0.802 25454 8060 1 19 . 1 1 29 29 LEU HA H 29 3.559 3.559 4.005 -0.446 25454 8061 1 19 . 1 1 29 29 LEU C C 29 179.417 179.417 178.687 0.730 25454 8062 1 19 . 1 1 29 29 LEU CA C 29 57.043 57.043 57.499 -0.456 25454 8063 1 19 . 1 1 29 29 LEU CB C 29 42.676 42.676 41.404 1.272 25454 8064 1 19 . 1 1 29 29 LEU H H 29 7.838 7.838 7.560 0.278 25454 8065 1 19 . 1 1 30 30 HIS N N 30 113.790 113.790 116.737 -2.947 25454 8066 1 19 . 1 1 30 30 HIS HA H 30 4.059 4.059 4.354 -0.295 25454 8067 1 19 . 1 1 30 30 HIS C C 30 176.289 176.289 174.827 1.462 25454 8068 1 19 . 1 1 30 30 HIS CA C 30 56.030 56.030 56.451 -0.421 25454 8069 1 19 . 1 1 30 30 HIS CB C 30 29.216 29.216 31.081 -1.865 25454 8070 1 19 . 1 1 30 30 HIS H H 30 7.757 7.757 7.821 -0.064 25454 8071 1 19 . 1 1 31 31 GLU N N 31 125.870 125.870 117.149 8.721 25454 8072 1 19 . 1 1 31 31 GLU HA H 31 4.450 4.450 4.009 0.441 25454 8073 1 19 . 1 1 31 31 GLU C C 31 176.775 176.775 175.056 1.719 25454 8074 1 19 . 1 1 31 31 GLU CA C 31 56.160 56.160 56.588 -0.428 25454 8075 1 19 . 1 1 31 31 GLU CB C 31 28.386 28.386 29.224 -0.838 25454 8076 1 19 . 1 1 31 31 GLU H H 31 8.916 8.916 7.478 1.438 25454 8077 1 19 . 1 1 32 32 GLU N N 32 116.185 116.185 127.605 -11.420 25454 8078 1 19 . 1 1 32 32 GLU HA H 32 3.563 3.563 4.417 -0.854 25454 8079 1 19 . 1 1 32 32 GLU C C 32 174.994 174.994 175.784 -0.790 25454 8080 1 19 . 1 1 32 32 GLU CA C 32 58.090 58.090 56.847 1.243 25454 8081 1 19 . 1 1 32 32 GLU CB C 32 26.783 26.783 29.729 -2.946 25454 8082 1 19 . 1 1 32 32 GLU H H 32 9.330 9.330 8.509 0.821 25454 8083 1 19 . 1 1 33 33 THR N N 33 110.202 110.202 121.798 -11.596 25454 8084 1 19 . 1 1 33 33 THR HA H 33 4.696 4.696 4.453 0.243 25454 8085 1 19 . 1 1 33 33 THR C C 33 173.529 173.529 173.033 0.496 25454 8086 1 19 . 1 1 33 33 THR CA C 33 60.129 60.129 61.491 -1.362 25454 8087 1 19 . 1 1 33 33 THR CB C 33 71.864 71.864 68.738 3.126 25454 8088 1 19 . 1 1 33 33 THR H H 33 7.620 7.620 8.427 -0.807 25454 8089 1 19 . 1 1 34 34 VAL N N 34 121.967 121.967 120.249 1.718 25454 8090 1 19 . 1 1 34 34 VAL HA H 34 4.139 4.139 3.767 0.372 25454 8091 1 19 . 1 1 34 34 VAL C C 34 172.579 172.579 175.345 -2.766 25454 8092 1 19 . 1 1 34 34 VAL CA C 34 63.032 63.032 63.588 -0.556 25454 8093 1 19 . 1 1 34 34 VAL CB C 34 32.594 32.594 32.052 0.542 25454 8094 1 19 . 1 1 34 34 VAL H H 34 8.308 8.308 8.699 -0.391 25454 8095 1 19 . 1 1 35 35 TYR N N 35 129.550 129.550 126.137 3.413 25454 8096 1 19 . 1 1 35 35 TYR HA H 35 4.562 4.562 4.494 0.068 25454 8097 1 19 . 1 1 35 35 TYR CA C 35 58.660 58.660 57.512 1.148 25454 8098 1 19 . 1 1 35 35 TYR CB C 35 39.520 39.520 38.529 0.991 25454 8099 1 19 . 1 1 35 35 TYR H H 35 8.610 8.610 8.696 -0.086 25454 8100 1 19 . 1 1 36 36 LYS N N 36 129.360 129.360 119.617 9.743 25454 8101 1 19 . 1 1 36 36 LYS HA H 36 4.411 4.411 3.898 0.513 25454 8102 1 19 . 1 1 36 36 LYS CA C 36 55.626 55.626 57.023 -1.397 25454 8103 1 19 . 1 1 36 36 LYS CB C 36 32.790 32.790 30.404 2.386 25454 8104 1 19 . 1 1 36 36 LYS H H 36 8.509 8.509 8.493 0.016 25454 8105 1 19 . 1 1 37 37 GLY N N 37 109.150 109.150 102.257 6.893 25454 8106 1 19 . 1 1 37 37 GLY C C 37 174.428 174.428 174.658 -0.230 25454 8107 1 19 . 1 1 37 37 GLY CA C 37 46.427 46.427 44.814 1.613 25454 8108 1 19 . 1 1 37 37 GLY H H 37 6.819 6.819 8.336 -1.517 25454 8109 1 19 . 1 1 38 38 GLY N N 38 110.780 110.780 109.204 1.576 25454 8110 1 19 . 1 1 38 38 GLY C C 38 174.108 174.108 173.514 0.594 25454 8111 1 19 . 1 1 38 38 GLY CA C 38 44.972 44.972 44.464 0.508 25454 8112 1 19 . 1 1 38 38 GLY H H 38 8.365 8.365 8.016 0.349 25454 8113 1 19 . 1 1 39 39 ASP N N 39 120.800 120.800 116.600 4.200 25454 8114 1 19 . 1 1 39 39 ASP HA H 39 4.789 4.789 4.655 0.134 25454 8115 1 19 . 1 1 39 39 ASP C C 39 177.820 177.820 177.521 0.299 25454 8116 1 19 . 1 1 39 39 ASP CA C 39 55.340 55.340 54.402 0.938 25454 8117 1 19 . 1 1 39 39 ASP CB C 39 41.150 41.150 41.528 -0.378 25454 8118 1 19 . 1 1 39 39 ASP H H 39 8.476 8.476 8.734 -0.258 25454 8119 1 19 . 1 1 40 40 THR N N 40 111.201 111.201 114.194 -2.993 25454 8120 1 19 . 1 1 40 40 THR HA H 40 3.753 3.753 4.398 -0.645 25454 8121 1 19 . 1 1 40 40 THR C C 40 175.526 175.526 175.953 -0.427 25454 8122 1 19 . 1 1 40 40 THR CA C 40 60.300 60.300 60.979 -0.679 25454 8123 1 19 . 1 1 40 40 THR CB C 40 71.278 71.278 67.226 4.052 25454 8124 1 19 . 1 1 40 40 THR H H 40 8.132 8.132 8.192 -0.060 25454 8125 1 19 . 1 1 41 41 VAL N N 41 125.014 125.014 116.463 8.551 25454 8126 1 19 . 1 1 41 41 VAL HA H 41 3.831 3.831 3.592 0.239 25454 8127 1 19 . 1 1 41 41 VAL C C 41 174.100 174.100 176.128 -2.028 25454 8128 1 19 . 1 1 41 41 VAL CA C 41 63.988 63.988 63.388 0.600 25454 8129 1 19 . 1 1 41 41 VAL CB C 41 30.465 30.465 30.963 -0.498 25454 8130 1 19 . 1 1 41 41 VAL H H 41 8.278 8.278 7.187 1.091 25454 8131 1 19 . 1 1 42 42 THR N N 42 121.970 121.970 116.141 5.829 25454 8132 1 19 . 1 1 42 42 THR HA H 42 4.603 4.603 4.006 0.597 25454 8133 1 19 . 1 1 42 42 THR C C 42 172.978 172.978 174.621 -1.643 25454 8134 1 19 . 1 1 42 42 THR CA C 42 60.166 60.166 64.199 -4.033 25454 8135 1 19 . 1 1 42 42 THR CB C 42 70.588 70.588 69.285 1.303 25454 8136 1 19 . 1 1 42 42 THR H H 42 7.849 7.849 7.679 0.170 25454 8137 1 19 . 1 1 43 43 LEU N N 43 122.979 122.979 124.444 -1.465 25454 8138 1 19 . 1 1 43 43 LEU HA H 43 5.041 5.041 4.521 0.520 25454 8139 1 19 . 1 1 43 43 LEU CA C 43 55.072 55.072 54.559 0.513 25454 8140 1 19 . 1 1 43 43 LEU CB C 43 42.661 42.661 40.783 1.878 25454 8141 1 19 . 1 1 43 43 LEU H H 43 8.310 8.310 8.309 0.001 25454 8142 1 19 . 1 1 44 44 ASN N N 44 124.579 124.579 123.162 1.417 25454 8143 1 19 . 1 1 44 44 ASN HA H 44 5.135 5.135 4.674 0.461 25454 8144 1 19 . 1 1 44 44 ASN C C 44 175.736 175.736 176.104 -0.368 25454 8145 1 19 . 1 1 44 44 ASN CA C 44 50.814 50.814 53.542 -2.728 25454 8146 1 19 . 1 1 44 44 ASN CB C 44 40.280 40.280 39.386 0.893 25454 8147 1 19 . 1 1 44 44 ASN H H 44 9.542 9.542 8.056 1.486 25454 8148 1 19 . 1 1 45 45 GLU N N 45 118.210 118.210 120.843 -2.633 25454 8149 1 19 . 1 1 45 45 GLU HA H 45 4.088 4.088 4.098 -0.010 25454 8150 1 19 . 1 1 45 45 GLU C C 45 179.010 179.010 178.654 0.356 25454 8151 1 19 . 1 1 45 45 GLU CA C 45 60.349 60.349 60.578 -0.229 25454 8152 1 19 . 1 1 45 45 GLU CB C 45 28.908 28.908 29.291 -0.383 25454 8153 1 19 . 1 1 45 45 GLU H H 45 8.752 8.752 9.021 -0.269 25454 8154 1 19 . 1 1 46 46 THR N N 46 116.430 116.430 114.021 2.409 25454 8155 1 19 . 1 1 46 46 THR HA H 46 4.114 4.114 3.944 0.170 25454 8156 1 19 . 1 1 46 46 THR C C 46 176.994 176.994 176.161 0.833 25454 8157 1 19 . 1 1 46 46 THR CA C 46 66.260 66.260 67.150 -0.890 25454 8158 1 19 . 1 1 46 46 THR CB C 46 68.270 68.270 68.524 -0.254 25454 8159 1 19 . 1 1 46 46 THR H H 46 8.043 8.043 8.185 -0.142 25454 8160 1 19 . 1 1 47 47 ASP N N 47 124.380 124.380 122.189 2.191 25454 8161 1 19 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.366 -0.022 25454 8162 1 19 . 1 1 47 47 ASP C C 47 178.914 178.914 178.390 0.524 25454 8163 1 19 . 1 1 47 47 ASP CA C 47 58.630 58.630 58.022 0.608 25454 8164 1 19 . 1 1 47 47 ASP CB C 47 42.350 42.350 40.420 1.930 25454 8165 1 19 . 1 1 47 47 ASP H H 47 8.475 8.475 8.212 0.263 25454 8166 1 19 . 1 1 48 48 LEU N N 48 116.889 116.889 119.405 -2.516 25454 8167 1 19 . 1 1 48 48 LEU HA H 48 4.118 4.118 4.079 0.039 25454 8168 1 19 . 1 1 48 48 LEU C C 48 175.839 175.839 178.973 -3.134 25454 8169 1 19 . 1 1 48 48 LEU CA C 48 57.432 57.432 58.083 -0.651 25454 8170 1 19 . 1 1 48 48 LEU CB C 48 41.430 41.430 41.753 -0.323 25454 8171 1 19 . 1 1 48 48 LEU H H 48 8.082 8.082 8.656 -0.574 25454 8172 1 19 . 1 1 49 49 THR N N 49 112.550 112.550 115.020 -2.470 25454 8173 1 19 . 1 1 49 49 THR HA H 49 4.310 4.310 4.182 0.128 25454 8174 1 19 . 1 1 49 49 THR C C 49 177.306 177.306 176.523 0.783 25454 8175 1 19 . 1 1 49 49 THR CA C 49 64.520 64.520 65.865 -1.345 25454 8176 1 19 . 1 1 49 49 THR CB C 49 69.525 69.525 68.866 0.659 25454 8177 1 19 . 1 1 49 49 THR H H 49 7.743 7.743 7.797 -0.054 25454 8178 1 19 . 1 1 50 50 GLN N N 50 121.570 121.570 120.755 0.815 25454 8179 1 19 . 1 1 50 50 GLN HA H 50 4.344 4.344 4.282 0.062 25454 8180 1 19 . 1 1 50 50 GLN C C 50 178.308 178.308 178.341 -0.033 25454 8181 1 19 . 1 1 50 50 GLN CA C 50 58.630 58.630 57.513 1.117 25454 8182 1 19 . 1 1 50 50 GLN CB C 50 30.850 30.850 28.380 2.470 25454 8183 1 19 . 1 1 50 50 GLN H H 50 8.519 8.519 7.886 0.633 25454 8184 1 19 . 1 1 51 51 ILE N N 51 120.320 120.320 121.696 -1.376 25454 8185 1 19 . 1 1 51 51 ILE HA H 51 3.573 3.573 4.030 -0.457 25454 8186 1 19 . 1 1 51 51 ILE CA C 51 69.155 69.155 65.978 3.177 25454 8187 1 19 . 1 1 51 51 ILE CB C 51 35.659 35.659 35.726 -0.067 25454 8188 1 19 . 1 1 51 51 ILE H H 51 8.663 8.663 8.839 -0.176 25454 8189 1 19 . 1 1 52 52 PRO HA H 52 4.301 4.301 4.316 -0.015 25454 8190 1 19 . 1 1 52 52 PRO C C 52 179.686 179.686 178.613 1.073 25454 8191 1 19 . 1 1 52 52 PRO CA C 52 66.190 66.190 65.362 0.828 25454 8192 1 19 . 1 1 52 52 PRO CB C 52 31.270 31.270 31.439 -0.169 25454 8193 1 19 . 1 1 53 53 LYS N N 53 116.520 116.520 118.579 -2.059 25454 8194 1 19 . 1 1 53 53 LYS HA H 53 4.231 4.231 4.219 0.012 25454 8195 1 19 . 1 1 53 53 LYS C C 53 179.475 179.475 179.166 0.309 25454 8196 1 19 . 1 1 53 53 LYS CA C 53 59.017 59.017 58.564 0.453 25454 8197 1 19 . 1 1 53 53 LYS CB C 53 31.796 31.796 31.895 -0.099 25454 8198 1 19 . 1 1 53 53 LYS H H 53 7.016 7.016 7.527 -0.511 25454 8199 1 19 . 1 1 54 54 VAL N N 54 125.220 125.220 115.554 9.666 25454 8200 1 19 . 1 1 54 54 VAL HA H 54 3.022 3.022 4.105 -1.083 25454 8201 1 19 . 1 1 54 54 VAL C C 54 177.692 177.692 177.309 0.383 25454 8202 1 19 . 1 1 54 54 VAL CA C 54 65.860 65.860 65.195 0.664 25454 8203 1 19 . 1 1 54 54 VAL CB C 54 30.623 30.623 31.406 -0.783 25454 8204 1 19 . 1 1 54 54 VAL H H 54 8.068 8.068 8.359 -0.291 25454 8205 1 19 . 1 1 55 55 ILE N N 55 119.943 119.943 120.640 -0.697 25454 8206 1 19 . 1 1 55 55 ILE HA H 55 3.641 3.641 4.254 -0.613 25454 8207 1 19 . 1 1 55 55 ILE C C 55 177.515 177.515 177.877 -0.362 25454 8208 1 19 . 1 1 55 55 ILE CA C 55 66.896 66.896 64.866 2.030 25454 8209 1 19 . 1 1 55 55 ILE CB C 55 38.500 38.500 38.380 0.120 25454 8210 1 19 . 1 1 55 55 ILE H H 55 7.589 7.589 7.443 0.146 25454 8211 1 19 . 1 1 56 56 GLU N N 56 118.310 118.310 120.962 -2.652 25454 8212 1 19 . 1 1 56 56 GLU HA H 56 4.010 4.010 4.020 -0.010 25454 8213 1 19 . 1 1 56 56 GLU C C 56 178.518 178.518 179.310 -0.792 25454 8214 1 19 . 1 1 56 56 GLU CA C 56 59.603 59.603 59.931 -0.328 25454 8215 1 19 . 1 1 56 56 GLU CB C 56 29.776 29.776 29.712 0.064 25454 8216 1 19 . 1 1 56 56 GLU H H 56 7.794 7.794 8.467 -0.673 25454 8217 1 19 . 1 1 57 57 TYR N N 57 120.510 120.510 119.252 1.258 25454 8218 1 19 . 1 1 57 57 TYR HA H 57 4.239 4.239 4.328 -0.089 25454 8219 1 19 . 1 1 57 57 TYR C C 57 178.919 178.919 177.703 1.216 25454 8220 1 19 . 1 1 57 57 TYR CA C 57 61.600 61.600 60.928 0.672 25454 8221 1 19 . 1 1 57 57 TYR CB C 57 39.060 39.060 38.187 0.873 25454 8222 1 19 . 1 1 57 57 TYR H H 57 8.495 8.495 8.668 -0.173 25454 8223 1 19 . 1 1 58 58 CYS N N 58 117.760 117.760 118.233 -0.473 25454 8224 1 19 . 1 1 58 58 CYS HA H 58 4.685 4.685 4.389 0.296 25454 8225 1 19 . 1 1 58 58 CYS C C 58 177.217 177.217 176.250 0.967 25454 8226 1 19 . 1 1 58 58 CYS CA C 58 52.020 52.020 61.168 -9.148 25454 8227 1 19 . 1 1 58 58 CYS CB C 58 31.667 31.667 27.068 4.599 25454 8228 1 19 . 1 1 58 58 CYS H H 58 8.672 8.672 7.993 0.679 25454 8229 1 19 . 1 1 59 59 LYS N N 59 120.550 120.550 119.758 0.792 25454 8230 1 19 . 1 1 59 59 LYS HA H 59 4.008 4.008 4.094 -0.086 25454 8231 1 19 . 1 1 59 59 LYS C C 59 179.247 179.247 178.351 0.896 25454 8232 1 19 . 1 1 59 59 LYS CA C 59 59.790 59.790 58.803 0.987 25454 8233 1 19 . 1 1 59 59 LYS CB C 59 32.800 32.800 31.916 0.884 25454 8234 1 19 . 1 1 59 59 LYS H H 59 8.481 8.481 8.358 0.123 25454 8235 1 19 . 1 1 60 60 LYS N N 60 116.830 116.830 118.196 -1.366 25454 8236 1 19 . 1 1 60 60 LYS HA H 60 4.166 4.166 4.201 -0.035 25454 8237 1 19 . 1 1 60 60 LYS C C 60 176.432 176.432 177.380 -0.948 25454 8238 1 19 . 1 1 60 60 LYS CA C 60 57.260 57.260 58.131 -0.871 25454 8239 1 19 . 1 1 60 60 LYS CB C 60 33.760 33.760 33.080 0.680 25454 8240 1 19 . 1 1 60 60 LYS H H 60 7.455 7.455 8.013 -0.558 25454 8241 1 19 . 1 1 61 61 ASN N N 61 117.140 117.140 116.727 0.413 25454 8242 1 19 . 1 1 61 61 ASN HA H 61 4.686 4.686 5.158 -0.472 25454 8243 1 19 . 1 1 61 61 ASN CA C 61 51.300 51.300 50.746 0.554 25454 8244 1 19 . 1 1 61 61 ASN CB C 61 40.208 40.208 38.490 1.718 25454 8245 1 19 . 1 1 61 61 ASN H H 61 7.368 7.368 7.728 -0.360 25454 8246 1 19 . 1 1 62 62 PRO HA H 62 4.227 4.227 4.411 -0.184 25454 8247 1 19 . 1 1 62 62 PRO C C 62 177.511 177.511 177.914 -0.403 25454 8248 1 19 . 1 1 62 62 PRO CA C 62 65.430 65.430 64.977 0.453 25454 8249 1 19 . 1 1 62 62 PRO CB C 62 31.800 31.800 32.053 -0.253 25454 8250 1 19 . 1 1 63 63 GLN N N 63 114.045 114.045 114.695 -0.650 25454 8251 1 19 . 1 1 63 63 GLN HA H 63 4.450 4.450 4.260 0.190 25454 8252 1 19 . 1 1 63 63 GLN C C 63 177.766 177.766 176.024 1.742 25454 8253 1 19 . 1 1 63 63 GLN CA C 63 56.200 56.200 56.641 -0.441 25454 8254 1 19 . 1 1 63 63 GLN CB C 63 28.200 28.200 28.895 -0.695 25454 8255 1 19 . 1 1 63 63 GLN H H 63 8.578 8.578 8.211 0.367 25454 8256 1 19 . 1 1 64 64 LYS N N 64 119.960 119.960 120.248 -0.288 25454 8257 1 19 . 1 1 64 64 LYS HA H 64 4.452 4.452 4.246 0.206 25454 8258 1 19 . 1 1 64 64 LYS C C 64 176.151 176.151 175.335 0.816 25454 8259 1 19 . 1 1 64 64 LYS CA C 64 55.660 55.660 55.752 -0.092 25454 8260 1 19 . 1 1 64 64 LYS CB C 64 33.500 33.500 33.034 0.466 25454 8261 1 19 . 1 1 64 64 LYS H H 64 7.628 7.628 7.799 -0.171 25454 8262 1 19 . 1 1 65 65 ASN N N 65 120.139 120.139 118.226 1.913 25454 8263 1 19 . 1 1 65 65 ASN HA H 65 4.807 4.807 4.709 0.098 25454 8264 1 19 . 1 1 65 65 ASN CA C 65 54.070 54.070 52.379 1.691 25454 8265 1 19 . 1 1 65 65 ASN CB C 65 38.070 38.070 39.703 -1.633 25454 8266 1 19 . 1 1 65 65 ASN H H 65 8.936 8.936 8.516 0.420 25454 8267 1 19 . 1 1 66 66 LEU N N 66 129.960 129.960 128.499 1.461 25454 8268 1 19 . 1 1 66 66 LEU HA H 66 4.165 4.165 3.564 0.601 25454 8269 1 19 . 1 1 66 66 LEU C C 66 176.948 176.948 177.670 -0.722 25454 8270 1 19 . 1 1 66 66 LEU CA C 66 59.220 59.220 57.633 1.587 25454 8271 1 19 . 1 1 66 66 LEU CB C 66 42.830 42.830 42.061 0.769 25454 8272 1 19 . 1 1 66 66 LEU H H 66 8.939 8.939 8.514 0.425 25454 8273 1 19 . 1 1 67 67 TYR N N 67 115.770 115.770 116.018 -0.248 25454 8274 1 19 . 1 1 67 67 TYR HA H 67 4.077 4.077 4.334 -0.257 25454 8275 1 19 . 1 1 67 67 TYR C C 67 178.731 178.731 177.940 0.791 25454 8276 1 19 . 1 1 67 67 TYR CA C 67 61.277 61.277 58.616 2.661 25454 8277 1 19 . 1 1 67 67 TYR CB C 67 36.768 36.768 37.759 -0.991 25454 8278 1 19 . 1 1 67 67 TYR H H 67 9.409 9.409 8.061 1.348 25454 8279 1 19 . 1 1 68 68 THR N N 68 112.470 112.470 115.864 -3.394 25454 8280 1 19 . 1 1 68 68 THR HA H 68 4.268 4.268 4.076 0.192 25454 8281 1 19 . 1 1 68 68 THR C C 68 176.104 176.104 176.853 -0.749 25454 8282 1 19 . 1 1 68 68 THR CA C 68 64.650 64.650 65.997 -1.347 25454 8283 1 19 . 1 1 68 68 THR CB C 68 70.268 70.268 68.617 1.651 25454 8284 1 19 . 1 1 68 68 THR H H 68 8.076 8.076 8.198 -0.122 25454 8285 1 19 . 1 1 69 69 PHE N N 69 123.660 123.660 119.796 3.864 25454 8286 1 19 . 1 1 69 69 PHE HA H 69 2.811 2.811 4.557 -1.746 25454 8287 1 19 . 1 1 69 69 PHE C C 69 176.290 176.290 176.549 -0.259 25454 8288 1 19 . 1 1 69 69 PHE CA C 69 61.510 61.510 57.093 4.417 25454 8289 1 19 . 1 1 69 69 PHE CB C 69 39.610 39.610 37.862 1.748 25454 8290 1 19 . 1 1 69 69 PHE H H 69 7.969 7.969 7.840 0.129 25454 8291 1 19 . 1 1 70 70 LYS N N 70 113.530 113.530 119.377 -5.847 25454 8292 1 19 . 1 1 70 70 LYS HA H 70 3.757 3.757 4.174 -0.417 25454 8293 1 19 . 1 1 70 70 LYS C C 70 176.269 176.269 177.716 -1.447 25454 8294 1 19 . 1 1 70 70 LYS CA C 70 57.840 57.840 57.519 0.321 25454 8295 1 19 . 1 1 70 70 LYS CB C 70 32.520 32.520 32.582 -0.062 25454 8296 1 19 . 1 1 70 70 LYS H H 70 6.957 6.957 7.698 -0.741 25454 8297 1 19 . 1 1 71 71 ASN N N 71 117.360 117.360 118.719 -1.359 25454 8298 1 19 . 1 1 71 71 ASN HA H 71 4.652 4.652 4.606 0.046 25454 8299 1 19 . 1 1 71 71 ASN C C 71 175.155 175.155 177.356 -2.201 25454 8300 1 19 . 1 1 71 71 ASN CA C 71 53.273 53.273 55.338 -2.065 25454 8301 1 19 . 1 1 71 71 ASN CB C 71 38.870 38.870 38.052 0.818 25454 8302 1 19 . 1 1 71 71 ASN H H 71 7.488 7.488 7.922 -0.434 25454 8303 1 19 . 1 1 72 72 GLN N N 72 119.610 119.610 117.650 1.960 25454 8304 1 19 . 1 1 72 72 GLN HA H 72 4.202 4.202 4.254 -0.052 25454 8305 1 19 . 1 1 72 72 GLN C C 72 179.467 179.467 176.629 2.838 25454 8306 1 19 . 1 1 72 72 GLN CA C 72 56.160 56.160 57.518 -1.358 25454 8307 1 19 . 1 1 72 72 GLN CB C 72 29.460 29.460 28.447 1.014 25454 8308 1 19 . 1 1 72 72 GLN H H 72 7.611 7.611 8.242 -0.631 25454 8309 1 19 . 1 1 73 73 ALA N N 73 125.130 125.130 121.122 4.008 25454 8310 1 19 . 1 1 73 73 ALA HA H 73 4.198 4.198 4.314 -0.116 25454 8311 1 19 . 1 1 73 73 ALA C C 73 177.907 177.907 178.527 -0.620 25454 8312 1 19 . 1 1 73 73 ALA CA C 73 52.761 52.761 52.361 0.400 25454 8313 1 19 . 1 1 73 73 ALA CB C 73 19.028 19.028 20.316 -1.288 25454 8314 1 19 . 1 1 73 73 ALA H H 73 8.072 8.072 7.459 0.613 25454 8315 1 19 . 1 1 74 74 SER N N 74 115.100 115.100 111.882 3.218 25454 8316 1 19 . 1 1 74 74 SER HA H 74 4.344 4.344 3.894 0.450 25454 8317 1 19 . 1 1 74 74 SER C C 74 174.562 174.562 174.111 0.451 25454 8318 1 19 . 1 1 74 74 SER CA C 74 58.640 58.640 60.344 -1.704 25454 8319 1 19 . 1 1 74 74 SER CB C 74 63.660 63.660 62.838 0.822 25454 8320 1 19 . 1 1 74 74 SER H H 74 8.114 8.114 8.427 -0.313 25454 8321 1 19 . 1 1 75 75 ASN N N 75 120.950 120.950 116.314 4.636 25454 8322 1 19 . 1 1 75 75 ASN HA H 75 4.698 4.698 4.388 0.310 25454 8323 1 19 . 1 1 75 75 ASN C C 75 174.790 174.790 174.879 -0.089 25454 8324 1 19 . 1 1 75 75 ASN CA C 75 53.340 53.340 54.201 -0.861 25454 8325 1 19 . 1 1 75 75 ASN CB C 75 38.980 38.980 38.536 0.444 25454 8326 1 19 . 1 1 75 75 ASN H H 75 8.283 8.283 7.976 0.307 25454 8327 1 19 . 1 1 76 76 ASP N N 76 120.550 120.550 120.243 0.307 25454 8328 1 19 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.567 0.036 25454 8329 1 19 . 1 1 76 76 ASP C C 76 175.588 175.588 176.721 -1.133 25454 8330 1 19 . 1 1 76 76 ASP CA C 76 53.940 53.940 55.099 -1.159 25454 8331 1 19 . 1 1 76 76 ASP CB C 76 40.510 40.510 41.215 -0.705 25454 8332 1 19 . 1 1 76 76 ASP H H 76 8.201 8.201 8.458 -0.257 25454 8333 1 19 . 1 1 77 77 LEU N N 77 123.780 123.780 117.741 6.039 25454 8334 1 19 . 1 1 77 77 LEU HA H 77 4.600 4.600 4.096 0.504 25454 8335 1 19 . 1 1 77 77 LEU CA C 77 52.980 52.980 52.716 0.264 25454 8336 1 19 . 1 1 77 77 LEU CB C 77 41.850 41.850 40.148 1.702 25454 8337 1 19 . 1 1 77 77 LEU H H 77 8.021 8.021 7.806 0.215 25454 8338 1 19 . 1 1 78 78 PRO HA H 78 4.417 4.417 4.492 -0.075 25454 8339 1 19 . 1 1 78 78 PRO C C 78 176.058 176.058 175.731 0.327 25454 8340 1 19 . 1 1 78 78 PRO CA C 78 63.260 63.260 62.744 0.516 25454 8341 1 19 . 1 1 78 78 PRO CB C 78 31.956 31.956 32.412 -0.456 25454 8342 1 20 . 1 1 2 2 ASN N N 2 118.440 118.440 118.137 0.303 25454 8343 1 20 . 1 1 2 2 ASN HA H 2 4.660 4.660 4.590 0.070 25454 8344 1 20 . 1 1 2 2 ASN C C 2 174.884 174.884 174.294 0.590 25454 8345 1 20 . 1 1 2 2 ASN CA C 2 53.730 53.730 54.151 -0.421 25454 8346 1 20 . 1 1 2 2 ASN CB C 2 38.500 38.500 38.193 0.307 25454 8347 1 20 . 1 1 2 2 ASN H H 2 8.869 8.869 8.854 0.015 25454 8348 1 20 . 1 1 3 3 GLU N N 3 121.390 121.390 121.017 0.373 25454 8349 1 20 . 1 1 3 3 GLU HA H 3 4.416 4.416 4.571 -0.155 25454 8350 1 20 . 1 1 3 3 GLU C C 3 175.916 175.916 175.933 -0.017 25454 8351 1 20 . 1 1 3 3 GLU CA C 3 56.300 56.300 55.480 0.820 25454 8352 1 20 . 1 1 3 3 GLU CB C 3 29.810 29.810 31.165 -1.355 25454 8353 1 20 . 1 1 3 3 GLU H H 3 8.560 8.560 8.302 0.258 25454 8354 1 20 . 1 1 4 4 SER N N 4 118.190 118.190 118.973 -0.783 25454 8355 1 20 . 1 1 4 4 SER HA H 4 4.716 4.716 4.491 0.225 25454 8356 1 20 . 1 1 4 4 SER C C 4 175.686 175.686 174.482 1.204 25454 8357 1 20 . 1 1 4 4 SER CA C 4 57.890 57.890 57.346 0.544 25454 8358 1 20 . 1 1 4 4 SER CB C 4 65.080 65.080 62.900 2.180 25454 8359 1 20 . 1 1 4 4 SER H H 4 8.802 8.802 8.787 0.015 25454 8360 1 20 . 1 1 5 5 ALA N N 5 128.990 128.990 128.190 0.800 25454 8361 1 20 . 1 1 5 5 ALA HA H 5 4.142 4.142 3.985 0.157 25454 8362 1 20 . 1 1 5 5 ALA C C 5 179.112 179.112 178.568 0.544 25454 8363 1 20 . 1 1 5 5 ALA CA C 5 55.880 55.880 54.902 0.978 25454 8364 1 20 . 1 1 5 5 ALA CB C 5 18.110 18.110 18.891 -0.781 25454 8365 1 20 . 1 1 5 5 ALA H H 5 8.992 8.992 8.406 0.586 25454 8366 1 20 . 1 1 6 6 LYS N N 6 114.810 114.810 114.703 0.107 25454 8367 1 20 . 1 1 6 6 LYS HA H 6 3.221 3.221 2.449 0.772 25454 8368 1 20 . 1 1 6 6 LYS C C 6 177.448 177.448 176.102 1.346 25454 8369 1 20 . 1 1 6 6 LYS CA C 6 57.740 57.740 57.743 -0.003 25454 8370 1 20 . 1 1 6 6 LYS CB C 6 31.830 31.830 31.696 0.134 25454 8371 1 20 . 1 1 6 6 LYS H H 6 7.776 7.776 8.067 -0.291 25454 8372 1 20 . 1 1 7 7 ASP N N 7 119.190 119.190 116.634 2.556 25454 8373 1 20 . 1 1 7 7 ASP HA H 7 4.748 4.748 4.847 -0.099 25454 8374 1 20 . 1 1 7 7 ASP C C 7 176.254 176.254 174.986 1.268 25454 8375 1 20 . 1 1 7 7 ASP CA C 7 53.800 53.800 53.262 0.538 25454 8376 1 20 . 1 1 7 7 ASP CB C 7 41.560 41.560 41.458 0.102 25454 8377 1 20 . 1 1 7 7 ASP H H 7 7.744 7.744 7.631 0.113 25454 8378 1 20 . 1 1 8 8 MET N N 8 122.540 122.540 122.440 0.100 25454 8379 1 20 . 1 1 8 8 MET HA H 8 4.502 4.502 4.425 0.077 25454 8380 1 20 . 1 1 8 8 MET C C 8 176.932 176.932 175.766 1.166 25454 8381 1 20 . 1 1 8 8 MET CA C 8 56.390 56.390 56.548 -0.159 25454 8382 1 20 . 1 1 8 8 MET CB C 8 35.300 35.300 33.267 2.033 25454 8383 1 20 . 1 1 8 8 MET H H 8 7.925 7.925 7.453 0.472 25454 8384 1 20 . 1 1 9 9 THR N N 9 121.410 121.410 122.443 -1.033 25454 8385 1 20 . 1 1 9 9 THR HA H 9 4.794 4.794 4.286 0.508 25454 8386 1 20 . 1 1 9 9 THR C C 9 176.198 176.198 175.132 1.066 25454 8387 1 20 . 1 1 9 9 THR CA C 9 61.960 61.960 62.764 -0.804 25454 8388 1 20 . 1 1 9 9 THR CB C 9 72.200 72.200 70.216 1.984 25454 8389 1 20 . 1 1 9 9 THR H H 9 9.927 9.927 8.241 1.686 25454 8390 1 20 . 1 1 10 10 CYS N N 10 121.150 121.150 125.908 -4.758 25454 8391 1 20 . 1 1 10 10 CYS HA H 10 4.685 4.685 4.290 0.395 25454 8392 1 20 . 1 1 10 10 CYS C C 10 177.324 177.324 177.079 0.245 25454 8393 1 20 . 1 1 10 10 CYS CA C 10 56.970 56.970 62.386 -5.416 25454 8394 1 20 . 1 1 10 10 CYS CB C 10 32.440 32.440 25.846 6.594 25454 8395 1 20 . 1 1 10 10 CYS H H 10 9.765 9.765 8.868 0.897 25454 8396 1 20 . 1 1 11 11 GLN N N 11 121.360 121.360 119.840 1.520 25454 8397 1 20 . 1 1 11 11 GLN HA H 11 3.894 3.894 4.103 -0.209 25454 8398 1 20 . 1 1 11 11 GLN C C 11 176.902 176.902 177.630 -0.728 25454 8399 1 20 . 1 1 11 11 GLN CA C 11 58.680 58.680 58.505 0.175 25454 8400 1 20 . 1 1 11 11 GLN CB C 11 28.900 28.900 28.170 0.730 25454 8401 1 20 . 1 1 11 11 GLN H H 11 8.583 8.583 8.393 0.190 25454 8402 1 20 . 1 1 12 12 GLU N N 12 117.090 117.090 119.402 -2.312 25454 8403 1 20 . 1 1 12 12 GLU HA H 12 3.983 3.983 4.101 -0.118 25454 8404 1 20 . 1 1 12 12 GLU C C 12 179.763 179.763 178.179 1.584 25454 8405 1 20 . 1 1 12 12 GLU CA C 12 59.528 59.528 57.986 1.542 25454 8406 1 20 . 1 1 12 12 GLU CB C 12 31.830 31.830 29.933 1.897 25454 8407 1 20 . 1 1 12 12 GLU H H 12 7.867 7.867 7.739 0.128 25454 8408 1 20 . 1 1 13 13 PHE N N 13 119.630 119.630 120.642 -1.012 25454 8409 1 20 . 1 1 13 13 PHE HA H 13 4.269 4.269 4.227 0.042 25454 8410 1 20 . 1 1 13 13 PHE C C 13 176.432 176.432 178.232 -1.800 25454 8411 1 20 . 1 1 13 13 PHE CA C 13 61.150 61.150 61.165 -0.015 25454 8412 1 20 . 1 1 13 13 PHE CB C 13 39.520 39.520 39.543 -0.023 25454 8413 1 20 . 1 1 13 13 PHE H H 13 8.182 8.182 8.488 -0.306 25454 8414 1 20 . 1 1 14 14 ILE N N 14 114.180 114.180 114.121 0.059 25454 8415 1 20 . 1 1 14 14 ILE HA H 14 3.761 3.761 3.752 0.009 25454 8416 1 20 . 1 1 14 14 ILE C C 14 177.089 177.089 175.791 1.298 25454 8417 1 20 . 1 1 14 14 ILE CA C 14 63.030 63.030 62.987 0.043 25454 8418 1 20 . 1 1 14 14 ILE CB C 14 36.740 36.740 37.055 -0.315 25454 8419 1 20 . 1 1 14 14 ILE H H 14 8.191 8.191 8.077 0.114 25454 8420 1 20 . 1 1 15 15 ASP N N 15 120.260 120.260 119.191 1.069 25454 8421 1 20 . 1 1 15 15 ASP HA H 15 4.716 4.716 4.652 0.064 25454 8422 1 20 . 1 1 15 15 ASP C C 15 174.697 174.697 176.472 -1.775 25454 8423 1 20 . 1 1 15 15 ASP CA C 15 54.080 54.080 53.550 0.530 25454 8424 1 20 . 1 1 15 15 ASP CB C 15 40.810 40.810 42.684 -1.874 25454 8425 1 20 . 1 1 15 15 ASP H H 15 7.478 7.478 7.570 -0.092 25454 8426 1 20 . 1 1 16 16 LEU N N 16 122.985 122.985 119.639 3.346 25454 8427 1 20 . 1 1 16 16 LEU HA H 16 4.067 4.067 4.231 -0.164 25454 8428 1 20 . 1 1 16 16 LEU C C 16 176.710 176.710 176.070 0.640 25454 8429 1 20 . 1 1 16 16 LEU CA C 16 55.028 55.028 55.220 -0.192 25454 8430 1 20 . 1 1 16 16 LEU CB C 16 43.370 43.370 42.588 0.782 25454 8431 1 20 . 1 1 16 16 LEU H H 16 7.226 7.226 7.294 -0.068 25454 8432 1 20 . 1 1 17 17 ASN N N 17 119.620 119.620 118.763 0.857 25454 8433 1 20 . 1 1 17 17 ASN HA H 17 4.634 4.634 4.765 -0.131 25454 8434 1 20 . 1 1 17 17 ASN CA C 17 52.048 52.048 50.919 1.129 25454 8435 1 20 . 1 1 17 17 ASN CB C 17 39.480 39.480 38.558 0.922 25454 8436 1 20 . 1 1 17 17 ASN H H 17 7.265 7.265 8.395 -1.130 25454 8437 1 20 . 1 1 18 18 PRO HA H 18 4.137 4.137 4.229 -0.092 25454 8438 1 20 . 1 1 18 18 PRO C C 18 179.247 179.247 177.569 1.678 25454 8439 1 20 . 1 1 18 18 PRO CA C 18 65.370 65.370 64.411 0.959 25454 8440 1 20 . 1 1 18 18 PRO CB C 18 32.610 32.610 31.949 0.661 25454 8441 1 20 . 1 1 19 19 LYS N N 19 116.450 116.450 119.458 -3.008 25454 8442 1 20 . 1 1 19 19 LYS HA H 19 3.856 3.856 4.079 -0.223 25454 8443 1 20 . 1 1 19 19 LYS C C 19 176.995 176.995 178.882 -1.887 25454 8444 1 20 . 1 1 19 19 LYS CA C 19 59.080 59.080 59.201 -0.121 25454 8445 1 20 . 1 1 19 19 LYS CB C 19 34.940 34.940 32.152 2.788 25454 8446 1 20 . 1 1 19 19 LYS H H 19 8.445 8.445 8.825 -0.380 25454 8447 1 20 . 1 1 20 20 ALA N N 20 116.170 116.170 121.291 -5.121 25454 8448 1 20 . 1 1 20 20 ALA HA H 20 4.255 4.255 4.500 -0.245 25454 8449 1 20 . 1 1 20 20 ALA C C 20 177.511 177.511 179.351 -1.840 25454 8450 1 20 . 1 1 20 20 ALA CA C 20 51.640 51.640 53.548 -1.908 25454 8451 1 20 . 1 1 20 20 ALA CB C 20 21.660 21.660 18.073 3.587 25454 8452 1 20 . 1 1 20 20 ALA H H 20 8.400 8.400 7.700 0.700 25454 8453 1 20 . 1 1 21 21 MET N N 21 117.850 117.850 118.728 -0.878 25454 8454 1 20 . 1 1 21 21 MET HA H 21 3.645 3.645 4.061 -0.416 25454 8455 1 20 . 1 1 21 21 MET C C 21 177.511 177.511 178.179 -0.668 25454 8456 1 20 . 1 1 21 21 MET CA C 21 61.418 61.418 59.908 1.510 25454 8457 1 20 . 1 1 21 21 MET CB C 21 33.220 33.220 32.534 0.686 25454 8458 1 20 . 1 1 21 21 MET H H 21 7.206 7.206 8.104 -0.898 25454 8459 1 20 . 1 1 22 22 THR N N 22 114.690 114.690 115.350 -0.660 25454 8460 1 20 . 1 1 22 22 THR HA H 22 4.115 4.115 4.303 -0.188 25454 8461 1 20 . 1 1 22 22 THR CA C 22 69.550 69.550 68.425 1.125 25454 8462 1 20 . 1 1 22 22 THR CB C 22 65.700 65.700 67.018 -1.318 25454 8463 1 20 . 1 1 22 22 THR H H 22 8.695 8.695 7.879 0.816 25454 8464 1 20 . 1 1 23 23 PRO HA H 23 3.550 3.550 4.535 -0.985 25454 8465 1 20 . 1 1 23 23 PRO C C 23 178.637 178.637 178.772 -0.135 25454 8466 1 20 . 1 1 23 23 PRO CA C 23 65.770 65.770 66.060 -0.290 25454 8467 1 20 . 1 1 23 23 PRO CB C 23 31.182 31.182 31.543 -0.361 25454 8468 1 20 . 1 1 24 24 VAL N N 24 115.820 115.820 118.718 -2.898 25454 8469 1 20 . 1 1 24 24 VAL HA H 24 3.675 3.675 4.080 -0.405 25454 8470 1 20 . 1 1 24 24 VAL C C 24 177.464 177.464 177.316 0.148 25454 8471 1 20 . 1 1 24 24 VAL CA C 24 67.490 67.490 65.252 2.238 25454 8472 1 20 . 1 1 24 24 VAL CB C 24 31.970 31.970 31.890 0.080 25454 8473 1 20 . 1 1 24 24 VAL H H 24 7.441 7.441 7.591 -0.150 25454 8474 1 20 . 1 1 25 25 ALA N N 25 122.670 122.670 122.358 0.312 25454 8475 1 20 . 1 1 25 25 ALA HA H 25 3.783 3.783 4.100 -0.317 25454 8476 1 20 . 1 1 25 25 ALA C C 25 178.497 178.497 179.198 -0.701 25454 8477 1 20 . 1 1 25 25 ALA CA C 25 55.620 55.620 55.118 0.502 25454 8478 1 20 . 1 1 25 25 ALA CB C 25 18.852 18.852 18.389 0.463 25454 8479 1 20 . 1 1 25 25 ALA H H 25 8.805 8.805 8.473 0.332 25454 8480 1 20 . 1 1 26 26 TRP N N 26 118.270 118.270 121.346 -3.076 25454 8481 1 20 . 1 1 26 26 TRP HA H 26 3.709 3.709 4.490 -0.781 25454 8482 1 20 . 1 1 26 26 TRP C C 26 178.309 178.309 177.072 1.237 25454 8483 1 20 . 1 1 26 26 TRP CA C 26 63.940 63.940 60.908 3.031 25454 8484 1 20 . 1 1 26 26 TRP CB C 26 29.740 29.740 30.209 -0.469 25454 8485 1 20 . 1 1 26 26 TRP H H 26 9.181 9.181 7.750 1.431 25454 8486 1 20 . 1 1 27 27 TRP N N 27 119.740 119.740 121.734 -1.994 25454 8487 1 20 . 1 1 27 27 TRP HA H 27 4.118 4.118 3.765 0.353 25454 8488 1 20 . 1 1 27 27 TRP C C 27 177.511 177.511 178.155 -0.644 25454 8489 1 20 . 1 1 27 27 TRP CA C 27 60.588 60.588 60.691 -0.103 25454 8490 1 20 . 1 1 27 27 TRP CB C 27 30.021 30.021 29.689 0.332 25454 8491 1 20 . 1 1 27 27 TRP H H 27 8.527 8.527 9.286 -0.759 25454 8492 1 20 . 1 1 28 28 MET N N 28 119.130 119.130 118.128 1.002 25454 8493 1 20 . 1 1 28 28 MET HA H 28 3.618 3.618 3.435 0.183 25454 8494 1 20 . 1 1 28 28 MET C C 28 177.587 177.587 177.930 -0.343 25454 8495 1 20 . 1 1 28 28 MET CA C 28 58.540 58.540 58.068 0.472 25454 8496 1 20 . 1 1 28 28 MET CB C 28 29.392 29.392 31.278 -1.886 25454 8497 1 20 . 1 1 28 28 MET H H 28 7.756 7.756 7.741 0.015 25454 8498 1 20 . 1 1 29 29 LEU N N 29 117.820 117.820 117.105 0.715 25454 8499 1 20 . 1 1 29 29 LEU HA H 29 3.559 3.559 3.863 -0.304 25454 8500 1 20 . 1 1 29 29 LEU C C 29 179.417 179.417 175.956 3.461 25454 8501 1 20 . 1 1 29 29 LEU CA C 29 57.043 57.043 56.327 0.716 25454 8502 1 20 . 1 1 29 29 LEU CB C 29 42.676 42.676 41.833 0.843 25454 8503 1 20 . 1 1 29 29 LEU H H 29 7.838 7.838 7.129 0.709 25454 8504 1 20 . 1 1 30 30 HIS N N 30 113.790 113.790 114.654 -0.864 25454 8505 1 20 . 1 1 30 30 HIS HA H 30 4.059 4.059 4.600 -0.541 25454 8506 1 20 . 1 1 30 30 HIS C C 30 176.289 176.289 173.174 3.115 25454 8507 1 20 . 1 1 30 30 HIS CA C 30 56.030 56.030 53.418 2.612 25454 8508 1 20 . 1 1 30 30 HIS CB C 30 29.216 29.216 29.486 -0.271 25454 8509 1 20 . 1 1 30 30 HIS H H 30 7.757 7.757 7.901 -0.144 25454 8510 1 20 . 1 1 31 31 GLU N N 31 125.870 125.870 123.608 2.262 25454 8511 1 20 . 1 1 31 31 GLU HA H 31 4.450 4.450 4.298 0.152 25454 8512 1 20 . 1 1 31 31 GLU C C 31 176.775 176.775 177.747 -0.972 25454 8513 1 20 . 1 1 31 31 GLU CA C 31 56.160 56.160 56.265 -0.105 25454 8514 1 20 . 1 1 31 31 GLU CB C 31 28.386 28.386 30.613 -2.228 25454 8515 1 20 . 1 1 31 31 GLU H H 31 8.916 8.916 8.490 0.426 25454 8516 1 20 . 1 1 32 32 GLU N N 32 116.185 116.185 124.951 -8.766 25454 8517 1 20 . 1 1 32 32 GLU HA H 32 3.563 3.563 4.193 -0.630 25454 8518 1 20 . 1 1 32 32 GLU C C 32 174.994 174.994 177.342 -2.348 25454 8519 1 20 . 1 1 32 32 GLU CA C 32 58.090 58.090 56.782 1.308 25454 8520 1 20 . 1 1 32 32 GLU CB C 32 26.783 26.783 28.771 -1.988 25454 8521 1 20 . 1 1 32 32 GLU H H 32 9.330 9.330 9.037 0.293 25454 8522 1 20 . 1 1 33 33 THR N N 33 110.202 110.202 113.357 -3.155 25454 8523 1 20 . 1 1 33 33 THR HA H 33 4.696 4.696 4.262 0.434 25454 8524 1 20 . 1 1 33 33 THR C C 33 173.529 173.529 173.918 -0.389 25454 8525 1 20 . 1 1 33 33 THR CA C 33 60.129 60.129 61.628 -1.499 25454 8526 1 20 . 1 1 33 33 THR CB C 33 71.864 71.864 67.644 4.221 25454 8527 1 20 . 1 1 33 33 THR H H 33 7.620 7.620 7.828 -0.208 25454 8528 1 20 . 1 1 34 34 VAL N N 34 121.967 121.967 118.422 3.545 25454 8529 1 20 . 1 1 34 34 VAL HA H 34 4.139 4.139 3.737 0.402 25454 8530 1 20 . 1 1 34 34 VAL C C 34 172.579 172.579 174.505 -1.926 25454 8531 1 20 . 1 1 34 34 VAL CA C 34 63.032 63.032 62.837 0.196 25454 8532 1 20 . 1 1 34 34 VAL CB C 34 32.594 32.594 32.335 0.259 25454 8533 1 20 . 1 1 34 34 VAL H H 34 8.308 8.308 7.491 0.817 25454 8534 1 20 . 1 1 35 35 TYR N N 35 129.550 129.550 124.183 5.367 25454 8535 1 20 . 1 1 35 35 TYR HA H 35 4.562 4.562 4.541 0.021 25454 8536 1 20 . 1 1 35 35 TYR CA C 35 58.660 58.660 59.082 -0.422 25454 8537 1 20 . 1 1 35 35 TYR CB C 35 39.520 39.520 38.920 0.600 25454 8538 1 20 . 1 1 35 35 TYR H H 35 8.610 8.610 8.481 0.129 25454 8539 1 20 . 1 1 36 36 LYS N N 36 129.360 129.360 125.206 4.154 25454 8540 1 20 . 1 1 36 36 LYS HA H 36 4.411 4.411 4.473 -0.062 25454 8541 1 20 . 1 1 36 36 LYS CA C 36 55.626 55.626 55.476 0.150 25454 8542 1 20 . 1 1 36 36 LYS CB C 36 32.790 32.790 35.488 -2.698 25454 8543 1 20 . 1 1 36 36 LYS H H 36 8.509 8.509 7.846 0.663 25454 8544 1 20 . 1 1 37 37 GLY N N 37 109.150 109.150 107.805 1.345 25454 8545 1 20 . 1 1 37 37 GLY C C 37 174.428 174.428 173.945 0.483 25454 8546 1 20 . 1 1 37 37 GLY CA C 37 46.427 46.427 45.199 1.228 25454 8547 1 20 . 1 1 37 37 GLY H H 37 6.819 6.819 8.733 -1.914 25454 8548 1 20 . 1 1 38 38 GLY N N 38 110.780 110.780 106.895 3.885 25454 8549 1 20 . 1 1 38 38 GLY C C 38 174.108 174.108 171.932 2.176 25454 8550 1 20 . 1 1 38 38 GLY CA C 38 44.972 44.972 44.884 0.088 25454 8551 1 20 . 1 1 38 38 GLY H H 38 8.365 8.365 7.712 0.653 25454 8552 1 20 . 1 1 39 39 ASP N N 39 120.800 120.800 118.239 2.561 25454 8553 1 20 . 1 1 39 39 ASP HA H 39 4.789 4.789 4.770 0.019 25454 8554 1 20 . 1 1 39 39 ASP C C 39 177.820 177.820 176.523 1.297 25454 8555 1 20 . 1 1 39 39 ASP CA C 39 55.340 55.340 54.292 1.048 25454 8556 1 20 . 1 1 39 39 ASP CB C 39 41.150 41.150 42.626 -1.476 25454 8557 1 20 . 1 1 39 39 ASP H H 39 8.476 8.476 8.423 0.053 25454 8558 1 20 . 1 1 40 40 THR N N 40 111.201 111.201 119.839 -8.638 25454 8559 1 20 . 1 1 40 40 THR HA H 40 3.753 3.753 4.310 -0.557 25454 8560 1 20 . 1 1 40 40 THR C C 40 175.526 175.526 174.700 0.826 25454 8561 1 20 . 1 1 40 40 THR CA C 40 60.300 60.300 62.123 -1.823 25454 8562 1 20 . 1 1 40 40 THR CB C 40 71.278 71.278 67.152 4.126 25454 8563 1 20 . 1 1 40 40 THR H H 40 8.132 8.132 8.333 -0.201 25454 8564 1 20 . 1 1 41 41 VAL N N 41 125.014 125.014 122.730 2.284 25454 8565 1 20 . 1 1 41 41 VAL HA H 41 3.831 3.831 3.222 0.609 25454 8566 1 20 . 1 1 41 41 VAL C C 41 174.100 174.100 176.283 -2.183 25454 8567 1 20 . 1 1 41 41 VAL CA C 41 63.988 63.988 64.216 -0.228 25454 8568 1 20 . 1 1 41 41 VAL CB C 41 30.465 30.465 30.914 -0.449 25454 8569 1 20 . 1 1 41 41 VAL H H 41 8.278 8.278 7.638 0.640 25454 8570 1 20 . 1 1 42 42 THR N N 42 121.970 121.970 113.400 8.570 25454 8571 1 20 . 1 1 42 42 THR HA H 42 4.603 4.603 3.926 0.677 25454 8572 1 20 . 1 1 42 42 THR C C 42 172.978 172.978 174.512 -1.534 25454 8573 1 20 . 1 1 42 42 THR CA C 42 60.166 60.166 62.688 -2.522 25454 8574 1 20 . 1 1 42 42 THR CB C 42 70.588 70.588 69.438 1.150 25454 8575 1 20 . 1 1 42 42 THR H H 42 7.849 7.849 7.648 0.201 25454 8576 1 20 . 1 1 43 43 LEU N N 43 122.979 122.979 122.610 0.369 25454 8577 1 20 . 1 1 43 43 LEU HA H 43 5.041 5.041 4.339 0.702 25454 8578 1 20 . 1 1 43 43 LEU CA C 43 55.072 55.072 54.752 0.320 25454 8579 1 20 . 1 1 43 43 LEU CB C 43 42.661 42.661 40.785 1.876 25454 8580 1 20 . 1 1 43 43 LEU H H 43 8.310 8.310 8.322 -0.012 25454 8581 1 20 . 1 1 44 44 ASN N N 44 124.579 124.579 123.713 0.866 25454 8582 1 20 . 1 1 44 44 ASN HA H 44 5.135 5.135 4.907 0.228 25454 8583 1 20 . 1 1 44 44 ASN C C 44 175.736 175.736 175.788 -0.052 25454 8584 1 20 . 1 1 44 44 ASN CA C 44 50.814 50.814 52.384 -1.570 25454 8585 1 20 . 1 1 44 44 ASN CB C 44 40.280 40.280 40.100 0.180 25454 8586 1 20 . 1 1 44 44 ASN H H 44 9.542 9.542 9.300 0.242 25454 8587 1 20 . 1 1 45 45 GLU N N 45 118.210 118.210 120.930 -2.720 25454 8588 1 20 . 1 1 45 45 GLU HA H 45 4.088 4.088 4.133 -0.045 25454 8589 1 20 . 1 1 45 45 GLU C C 45 179.010 179.010 178.390 0.620 25454 8590 1 20 . 1 1 45 45 GLU CA C 45 60.349 60.349 60.105 0.244 25454 8591 1 20 . 1 1 45 45 GLU CB C 45 28.908 28.908 29.357 -0.449 25454 8592 1 20 . 1 1 45 45 GLU H H 45 8.752 8.752 9.135 -0.383 25454 8593 1 20 . 1 1 46 46 THR N N 46 116.430 116.430 115.129 1.301 25454 8594 1 20 . 1 1 46 46 THR HA H 46 4.114 4.114 4.068 0.046 25454 8595 1 20 . 1 1 46 46 THR C C 46 176.994 176.994 176.063 0.931 25454 8596 1 20 . 1 1 46 46 THR CA C 46 66.260 66.260 67.198 -0.938 25454 8597 1 20 . 1 1 46 46 THR CB C 46 68.270 68.270 68.168 0.101 25454 8598 1 20 . 1 1 46 46 THR H H 46 8.043 8.043 8.339 -0.296 25454 8599 1 20 . 1 1 47 47 ASP N N 47 124.380 124.380 122.796 1.584 25454 8600 1 20 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.493 -0.149 25454 8601 1 20 . 1 1 47 47 ASP C C 47 178.914 178.914 178.402 0.512 25454 8602 1 20 . 1 1 47 47 ASP CA C 47 58.630 58.630 57.481 1.149 25454 8603 1 20 . 1 1 47 47 ASP CB C 47 42.350 42.350 40.325 2.025 25454 8604 1 20 . 1 1 47 47 ASP H H 47 8.475 8.475 7.592 0.883 25454 8605 1 20 . 1 1 48 48 LEU N N 48 116.889 116.889 119.354 -2.465 25454 8606 1 20 . 1 1 48 48 LEU HA H 48 4.118 4.118 4.146 -0.028 25454 8607 1 20 . 1 1 48 48 LEU C C 48 175.839 175.839 179.091 -3.252 25454 8608 1 20 . 1 1 48 48 LEU CA C 48 57.432 57.432 57.936 -0.504 25454 8609 1 20 . 1 1 48 48 LEU CB C 48 41.430 41.430 41.747 -0.317 25454 8610 1 20 . 1 1 48 48 LEU H H 48 8.082 8.082 8.521 -0.439 25454 8611 1 20 . 1 1 49 49 THR N N 49 112.550 112.550 114.936 -2.386 25454 8612 1 20 . 1 1 49 49 THR HA H 49 4.310 4.310 4.177 0.133 25454 8613 1 20 . 1 1 49 49 THR C C 49 177.306 177.306 176.350 0.956 25454 8614 1 20 . 1 1 49 49 THR CA C 49 64.520 64.520 65.965 -1.445 25454 8615 1 20 . 1 1 49 49 THR CB C 49 69.525 69.525 68.963 0.562 25454 8616 1 20 . 1 1 49 49 THR H H 49 7.743 7.743 7.716 0.027 25454 8617 1 20 . 1 1 50 50 GLN N N 50 121.570 121.570 120.738 0.832 25454 8618 1 20 . 1 1 50 50 GLN HA H 50 4.344 4.344 4.308 0.036 25454 8619 1 20 . 1 1 50 50 GLN C C 50 178.308 178.308 178.222 0.086 25454 8620 1 20 . 1 1 50 50 GLN CA C 50 58.630 58.630 57.413 1.217 25454 8621 1 20 . 1 1 50 50 GLN CB C 50 30.850 30.850 28.425 2.425 25454 8622 1 20 . 1 1 50 50 GLN H H 50 8.519 8.519 8.081 0.438 25454 8623 1 20 . 1 1 51 51 ILE N N 51 120.320 120.320 121.659 -1.339 25454 8624 1 20 . 1 1 51 51 ILE HA H 51 3.573 3.573 3.949 -0.376 25454 8625 1 20 . 1 1 51 51 ILE CA C 51 69.155 69.155 66.351 2.804 25454 8626 1 20 . 1 1 51 51 ILE CB C 51 35.659 35.659 35.605 0.054 25454 8627 1 20 . 1 1 51 51 ILE H H 51 8.663 8.663 8.774 -0.111 25454 8628 1 20 . 1 1 52 52 PRO HA H 52 4.301 4.301 4.379 -0.078 25454 8629 1 20 . 1 1 52 52 PRO C C 52 179.686 179.686 178.773 0.913 25454 8630 1 20 . 1 1 52 52 PRO CA C 52 66.190 66.190 65.630 0.560 25454 8631 1 20 . 1 1 52 52 PRO CB C 52 31.270 31.270 31.139 0.131 25454 8632 1 20 . 1 1 53 53 LYS N N 53 116.520 116.520 118.453 -1.933 25454 8633 1 20 . 1 1 53 53 LYS HA H 53 4.231 4.231 4.177 0.054 25454 8634 1 20 . 1 1 53 53 LYS C C 53 179.475 179.475 179.188 0.287 25454 8635 1 20 . 1 1 53 53 LYS CA C 53 59.017 59.017 58.633 0.384 25454 8636 1 20 . 1 1 53 53 LYS CB C 53 31.796 31.796 31.838 -0.042 25454 8637 1 20 . 1 1 53 53 LYS H H 53 7.016 7.016 7.518 -0.502 25454 8638 1 20 . 1 1 54 54 VAL N N 54 125.220 125.220 116.116 9.104 25454 8639 1 20 . 1 1 54 54 VAL HA H 54 3.022 3.022 3.948 -0.926 25454 8640 1 20 . 1 1 54 54 VAL C C 54 177.692 177.692 177.647 0.045 25454 8641 1 20 . 1 1 54 54 VAL CA C 54 65.860 65.860 65.285 0.575 25454 8642 1 20 . 1 1 54 54 VAL CB C 54 30.623 30.623 31.179 -0.556 25454 8643 1 20 . 1 1 54 54 VAL H H 54 8.068 8.068 8.273 -0.205 25454 8644 1 20 . 1 1 55 55 ILE N N 55 119.943 119.943 121.778 -1.835 25454 8645 1 20 . 1 1 55 55 ILE HA H 55 3.641 3.641 4.048 -0.407 25454 8646 1 20 . 1 1 55 55 ILE C C 55 177.515 177.515 177.862 -0.347 25454 8647 1 20 . 1 1 55 55 ILE CA C 55 66.896 66.896 65.551 1.345 25454 8648 1 20 . 1 1 55 55 ILE CB C 55 38.500 38.500 38.007 0.493 25454 8649 1 20 . 1 1 55 55 ILE H H 55 7.589 7.589 7.391 0.198 25454 8650 1 20 . 1 1 56 56 GLU N N 56 118.310 118.310 120.915 -2.605 25454 8651 1 20 . 1 1 56 56 GLU HA H 56 4.010 4.010 4.005 0.005 25454 8652 1 20 . 1 1 56 56 GLU C C 56 178.518 178.518 179.186 -0.668 25454 8653 1 20 . 1 1 56 56 GLU CA C 56 59.603 59.603 59.908 -0.305 25454 8654 1 20 . 1 1 56 56 GLU CB C 56 29.776 29.776 29.645 0.131 25454 8655 1 20 . 1 1 56 56 GLU H H 56 7.794 7.794 8.538 -0.744 25454 8656 1 20 . 1 1 57 57 TYR N N 57 120.510 120.510 119.510 1.000 25454 8657 1 20 . 1 1 57 57 TYR HA H 57 4.239 4.239 4.296 -0.057 25454 8658 1 20 . 1 1 57 57 TYR C C 57 178.919 178.919 177.990 0.929 25454 8659 1 20 . 1 1 57 57 TYR CA C 57 61.600 61.600 59.942 1.658 25454 8660 1 20 . 1 1 57 57 TYR CB C 57 39.060 39.060 37.786 1.274 25454 8661 1 20 . 1 1 57 57 TYR H H 57 8.495 8.495 8.605 -0.110 25454 8662 1 20 . 1 1 58 58 CYS N N 58 117.760 117.760 117.808 -0.048 25454 8663 1 20 . 1 1 58 58 CYS HA H 58 4.685 4.685 4.335 0.350 25454 8664 1 20 . 1 1 58 58 CYS C C 58 177.217 177.217 176.591 0.626 25454 8665 1 20 . 1 1 58 58 CYS CA C 58 52.020 52.020 61.671 -9.651 25454 8666 1 20 . 1 1 58 58 CYS CB C 58 31.667 31.667 27.068 4.599 25454 8667 1 20 . 1 1 58 58 CYS H H 58 8.672 8.672 7.829 0.843 25454 8668 1 20 . 1 1 59 59 LYS N N 59 120.550 120.550 120.343 0.207 25454 8669 1 20 . 1 1 59 59 LYS HA H 59 4.008 4.008 4.155 -0.147 25454 8670 1 20 . 1 1 59 59 LYS C C 59 179.247 179.247 178.442 0.805 25454 8671 1 20 . 1 1 59 59 LYS CA C 59 59.790 59.790 58.729 1.061 25454 8672 1 20 . 1 1 59 59 LYS CB C 59 32.800 32.800 32.206 0.594 25454 8673 1 20 . 1 1 59 59 LYS H H 59 8.481 8.481 8.360 0.121 25454 8674 1 20 . 1 1 60 60 LYS N N 60 116.830 116.830 117.992 -1.162 25454 8675 1 20 . 1 1 60 60 LYS HA H 60 4.166 4.166 4.277 -0.111 25454 8676 1 20 . 1 1 60 60 LYS C C 60 176.432 176.432 177.304 -0.872 25454 8677 1 20 . 1 1 60 60 LYS CA C 60 57.260 57.260 57.877 -0.617 25454 8678 1 20 . 1 1 60 60 LYS CB C 60 33.760 33.760 33.307 0.453 25454 8679 1 20 . 1 1 60 60 LYS H H 60 7.455 7.455 8.323 -0.868 25454 8680 1 20 . 1 1 61 61 ASN N N 61 117.140 117.140 119.038 -1.898 25454 8681 1 20 . 1 1 61 61 ASN HA H 61 4.686 4.686 5.235 -0.549 25454 8682 1 20 . 1 1 61 61 ASN CA C 61 51.300 51.300 51.100 0.200 25454 8683 1 20 . 1 1 61 61 ASN CB C 61 40.208 40.208 39.341 0.867 25454 8684 1 20 . 1 1 61 61 ASN H H 61 7.368 7.368 7.953 -0.585 25454 8685 1 20 . 1 1 62 62 PRO HA H 62 4.227 4.227 4.474 -0.247 25454 8686 1 20 . 1 1 62 62 PRO C C 62 177.511 177.511 177.634 -0.123 25454 8687 1 20 . 1 1 62 62 PRO CA C 62 65.430 65.430 64.783 0.647 25454 8688 1 20 . 1 1 62 62 PRO CB C 62 31.800 31.800 32.127 -0.327 25454 8689 1 20 . 1 1 63 63 GLN N N 63 114.045 114.045 113.925 0.120 25454 8690 1 20 . 1 1 63 63 GLN HA H 63 4.450 4.450 4.182 0.268 25454 8691 1 20 . 1 1 63 63 GLN C C 63 177.766 177.766 176.078 1.688 25454 8692 1 20 . 1 1 63 63 GLN CA C 63 56.200 56.200 57.017 -0.817 25454 8693 1 20 . 1 1 63 63 GLN CB C 63 28.200 28.200 28.697 -0.497 25454 8694 1 20 . 1 1 63 63 GLN H H 63 8.578 8.578 8.347 0.231 25454 8695 1 20 . 1 1 64 64 LYS N N 64 119.960 119.960 120.490 -0.530 25454 8696 1 20 . 1 1 64 64 LYS HA H 64 4.452 4.452 4.194 0.258 25454 8697 1 20 . 1 1 64 64 LYS C C 64 176.151 176.151 175.508 0.643 25454 8698 1 20 . 1 1 64 64 LYS CA C 64 55.660 55.660 55.808 -0.148 25454 8699 1 20 . 1 1 64 64 LYS CB C 64 33.500 33.500 32.961 0.539 25454 8700 1 20 . 1 1 64 64 LYS H H 64 7.628 7.628 7.585 0.043 25454 8701 1 20 . 1 1 65 65 ASN N N 65 120.139 120.139 117.898 2.241 25454 8702 1 20 . 1 1 65 65 ASN HA H 65 4.807 4.807 4.487 0.320 25454 8703 1 20 . 1 1 65 65 ASN CA C 65 54.070 54.070 53.301 0.769 25454 8704 1 20 . 1 1 65 65 ASN CB C 65 38.070 38.070 39.347 -1.277 25454 8705 1 20 . 1 1 65 65 ASN H H 65 8.936 8.936 8.260 0.676 25454 8706 1 20 . 1 1 66 66 LEU N N 66 129.960 129.960 124.778 5.182 25454 8707 1 20 . 1 1 66 66 LEU HA H 66 4.165 4.165 3.629 0.536 25454 8708 1 20 . 1 1 66 66 LEU C C 66 176.948 176.948 177.343 -0.395 25454 8709 1 20 . 1 1 66 66 LEU CA C 66 59.220 59.220 56.958 2.262 25454 8710 1 20 . 1 1 66 66 LEU CB C 66 42.830 42.830 42.258 0.573 25454 8711 1 20 . 1 1 66 66 LEU H H 66 8.939 8.939 8.242 0.697 25454 8712 1 20 . 1 1 67 67 TYR N N 67 115.770 115.770 115.423 0.347 25454 8713 1 20 . 1 1 67 67 TYR HA H 67 4.077 4.077 4.311 -0.234 25454 8714 1 20 . 1 1 67 67 TYR C C 67 178.731 178.731 177.873 0.858 25454 8715 1 20 . 1 1 67 67 TYR CA C 67 61.277 61.277 60.626 0.651 25454 8716 1 20 . 1 1 67 67 TYR CB C 67 36.768 36.768 38.390 -1.622 25454 8717 1 20 . 1 1 67 67 TYR H H 67 9.409 9.409 7.649 1.760 25454 8718 1 20 . 1 1 68 68 THR N N 68 112.470 112.470 116.720 -4.250 25454 8719 1 20 . 1 1 68 68 THR HA H 68 4.268 4.268 4.068 0.200 25454 8720 1 20 . 1 1 68 68 THR C C 68 176.104 176.104 176.497 -0.393 25454 8721 1 20 . 1 1 68 68 THR CA C 68 64.650 64.650 65.149 -0.499 25454 8722 1 20 . 1 1 68 68 THR CB C 68 70.268 70.268 68.481 1.787 25454 8723 1 20 . 1 1 68 68 THR H H 68 8.076 8.076 8.299 -0.223 25454 8724 1 20 . 1 1 69 69 PHE N N 69 123.660 123.660 119.032 4.628 25454 8725 1 20 . 1 1 69 69 PHE HA H 69 2.811 2.811 4.382 -1.571 25454 8726 1 20 . 1 1 69 69 PHE C C 69 176.290 176.290 176.727 -0.437 25454 8727 1 20 . 1 1 69 69 PHE CA C 69 61.510 61.510 57.350 4.160 25454 8728 1 20 . 1 1 69 69 PHE CB C 69 39.610 39.610 37.671 1.939 25454 8729 1 20 . 1 1 69 69 PHE H H 69 7.969 7.969 7.706 0.263 25454 8730 1 20 . 1 1 70 70 LYS N N 70 113.530 113.530 120.293 -6.763 25454 8731 1 20 . 1 1 70 70 LYS HA H 70 3.757 3.757 3.958 -0.201 25454 8732 1 20 . 1 1 70 70 LYS C C 70 176.269 176.269 178.563 -2.294 25454 8733 1 20 . 1 1 70 70 LYS CA C 70 57.840 57.840 58.301 -0.461 25454 8734 1 20 . 1 1 70 70 LYS CB C 70 32.520 32.520 32.461 0.059 25454 8735 1 20 . 1 1 70 70 LYS H H 70 6.957 6.957 7.939 -0.982 25454 8736 1 20 . 1 1 71 71 ASN N N 71 117.360 117.360 117.887 -0.527 25454 8737 1 20 . 1 1 71 71 ASN HA H 71 4.652 4.652 4.494 0.158 25454 8738 1 20 . 1 1 71 71 ASN C C 71 175.155 175.155 177.005 -1.850 25454 8739 1 20 . 1 1 71 71 ASN CA C 71 53.273 53.273 55.420 -2.147 25454 8740 1 20 . 1 1 71 71 ASN CB C 71 38.870 38.870 38.420 0.450 25454 8741 1 20 . 1 1 71 71 ASN H H 71 7.488 7.488 8.208 -0.720 25454 8742 1 20 . 1 1 72 72 GLN N N 72 119.610 119.610 117.437 2.173 25454 8743 1 20 . 1 1 72 72 GLN HA H 72 4.202 4.202 4.407 -0.205 25454 8744 1 20 . 1 1 72 72 GLN C C 72 179.467 179.467 176.613 2.854 25454 8745 1 20 . 1 1 72 72 GLN CA C 72 56.160 56.160 57.237 -1.077 25454 8746 1 20 . 1 1 72 72 GLN CB C 72 29.460 29.460 28.884 0.576 25454 8747 1 20 . 1 1 72 72 GLN H H 72 7.611 7.611 8.550 -0.939 25454 8748 1 20 . 1 1 73 73 ALA N N 73 125.130 125.130 121.749 3.381 25454 8749 1 20 . 1 1 73 73 ALA HA H 73 4.198 4.198 4.477 -0.279 25454 8750 1 20 . 1 1 73 73 ALA C C 73 177.907 177.907 177.033 0.874 25454 8751 1 20 . 1 1 73 73 ALA CA C 73 52.761 52.761 51.174 1.587 25454 8752 1 20 . 1 1 73 73 ALA CB C 73 19.028 19.028 19.902 -0.874 25454 8753 1 20 . 1 1 73 73 ALA H H 73 8.072 8.072 7.568 0.504 25454 8754 1 20 . 1 1 74 74 SER N N 74 115.100 115.100 116.410 -1.310 25454 8755 1 20 . 1 1 74 74 SER HA H 74 4.344 4.344 4.134 0.210 25454 8756 1 20 . 1 1 74 74 SER C C 74 174.562 174.562 174.368 0.194 25454 8757 1 20 . 1 1 74 74 SER CA C 74 58.640 58.640 59.113 -0.473 25454 8758 1 20 . 1 1 74 74 SER CB C 74 63.660 63.660 62.966 0.694 25454 8759 1 20 . 1 1 74 74 SER H H 74 8.114 8.114 8.193 -0.079 25454 8760 1 20 . 1 1 75 75 ASN N N 75 120.950 120.950 124.852 -3.902 25454 8761 1 20 . 1 1 75 75 ASN HA H 75 4.698 4.698 4.887 -0.189 25454 8762 1 20 . 1 1 75 75 ASN C C 75 174.790 174.790 175.951 -1.161 25454 8763 1 20 . 1 1 75 75 ASN CA C 75 53.340 53.340 53.637 -0.297 25454 8764 1 20 . 1 1 75 75 ASN CB C 75 38.980 38.980 39.433 -0.453 25454 8765 1 20 . 1 1 75 75 ASN H H 75 8.283 8.283 8.587 -0.304 25454 8766 1 20 . 1 1 76 76 ASP N N 76 120.550 120.550 120.215 0.335 25454 8767 1 20 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.547 0.056 25454 8768 1 20 . 1 1 76 76 ASP C C 76 175.588 175.588 175.216 0.372 25454 8769 1 20 . 1 1 76 76 ASP CA C 76 53.940 53.940 55.640 -1.700 25454 8770 1 20 . 1 1 76 76 ASP CB C 76 40.510 40.510 41.459 -0.949 25454 8771 1 20 . 1 1 76 76 ASP H H 76 8.201 8.201 8.811 -0.610 25454 8772 1 20 . 1 1 77 77 LEU N N 77 123.780 123.780 112.264 11.516 25454 8773 1 20 . 1 1 77 77 LEU HA H 77 4.600 4.600 4.737 -0.137 25454 8774 1 20 . 1 1 77 77 LEU CA C 77 52.980 52.980 49.681 3.300 25454 8775 1 20 . 1 1 77 77 LEU CB C 77 41.850 41.850 41.658 0.192 25454 8776 1 20 . 1 1 77 77 LEU H H 77 8.021 8.021 7.222 0.799 25454 8777 1 20 . 1 1 78 78 PRO HA H 78 4.417 4.417 4.535 -0.118 25454 8778 1 20 . 1 1 78 78 PRO C C 78 176.058 176.058 176.281 -0.223 25454 8779 1 20 . 1 1 78 78 PRO CA C 78 63.260 63.260 62.269 0.991 25454 8780 1 20 . 1 1 78 78 PRO CB C 78 31.956 31.956 32.537 -0.581 25454 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 72 3.335 -0.264 3.348 25454 2 1 1 "Average Difference" HA 79 0.370 0.010 0.373 25454 3 1 1 "Average Difference" C 68 1.242 -0.010 1.252 25454 4 1 1 "Average Difference" CA 77 1.886 -0.065 1.897 25454 5 1 1 "Average Difference" CB 75 1.649 -0.603 1.545 25454 6 1 1 "Average Difference" HN 72 0.659 -0.077 0.659 25454 7 1 2 "Average Difference" N 72 3.131 -0.457 3.119 25454 8 1 2 "Average Difference" HA 79 0.395 0.059 0.393 25454 9 1 2 "Average Difference" C 68 1.168 0.036 1.176 25454 10 1 2 "Average Difference" CA 77 1.787 -0.108 1.796 25454 11 1 2 "Average Difference" CB 75 1.584 -0.555 1.493 25454 12 1 2 "Average Difference" HN 72 0.647 -0.148 0.634 25454 13 1 3 "Average Difference" N 72 3.270 -0.062 3.293 25454 14 1 3 "Average Difference" HA 79 0.420 0.037 0.421 25454 15 1 3 "Average Difference" C 68 1.218 -0.049 1.226 25454 16 1 3 "Average Difference" CA 77 1.773 -0.109 1.782 25454 17 1 3 "Average Difference" CB 75 1.668 -0.469 1.612 25454 18 1 3 "Average Difference" HN 72 0.611 -0.063 0.612 25454 19 1 4 "Average Difference" N 72 3.500 -0.231 3.517 25454 20 1 4 "Average Difference" HA 79 0.433 0.038 0.434 25454 21 1 4 "Average Difference" C 68 1.233 0.038 1.241 25454 22 1 4 "Average Difference" CA 77 1.891 0.024 1.904 25454 23 1 4 "Average Difference" CB 75 1.715 -0.586 1.623 25454 24 1 4 "Average Difference" HN 72 0.585 -0.098 0.581 25454 25 1 5 "Average Difference" N 72 4.032 -0.695 4.000 25454 26 1 5 "Average Difference" HA 79 0.382 0.025 0.383 25454 27 1 5 "Average Difference" C 68 1.170 0.005 1.179 25454 28 1 5 "Average Difference" CA 77 1.822 -0.134 1.829 25454 29 1 5 "Average Difference" CB 75 1.660 -0.593 1.561 25454 30 1 5 "Average Difference" HN 72 0.646 -0.099 0.643 25454 31 1 6 "Average Difference" N 72 3.293 -0.141 3.313 25454 32 1 6 "Average Difference" HA 79 0.392 0.075 0.387 25454 33 1 6 "Average Difference" C 68 1.305 -0.053 1.314 25454 34 1 6 "Average Difference" CA 77 1.841 -0.149 1.847 25454 35 1 6 "Average Difference" CB 75 1.634 -0.437 1.585 25454 36 1 6 "Average Difference" HN 72 0.577 -0.082 0.575 25454 37 1 7 "Average Difference" N 72 3.378 -0.420 3.375 25454 38 1 7 "Average Difference" HA 79 0.387 0.080 0.381 25454 39 1 7 "Average Difference" C 68 1.172 -0.065 1.179 25454 40 1 7 "Average Difference" CA 77 1.817 -0.135 1.824 25454 41 1 7 "Average Difference" CB 75 1.615 -0.460 1.559 25454 42 1 7 "Average Difference" HN 72 0.610 -0.090 0.608 25454 43 1 8 "Average Difference" N 72 3.409 -0.383 3.411 25454 44 1 8 "Average Difference" HA 79 0.393 0.060 0.391 25454 45 1 8 "Average Difference" C 68 1.226 -0.013 1.235 25454 46 1 8 "Average Difference" CA 77 1.886 -0.126 1.895 25454 47 1 8 "Average Difference" CB 75 1.623 -0.523 1.547 25454 48 1 8 "Average Difference" HN 72 0.625 -0.086 0.623 25454 49 1 9 "Average Difference" N 72 3.169 -0.156 3.187 25454 50 1 9 "Average Difference" HA 79 0.405 0.045 0.405 25454 51 1 9 "Average Difference" C 68 1.206 0.002 1.215 25454 52 1 9 "Average Difference" CA 77 1.832 -0.069 1.842 25454 53 1 9 "Average Difference" CB 75 1.558 -0.542 1.470 25454 54 1 9 "Average Difference" HN 72 0.632 -0.104 0.627 25454 55 1 10 "Average Difference" N 72 3.393 -0.224 3.409 25454 56 1 10 "Average Difference" HA 79 0.400 0.077 0.395 25454 57 1 10 "Average Difference" C 68 1.248 -0.093 1.254 25454 58 1 10 "Average Difference" CA 77 1.885 -0.161 1.891 25454 59 1 10 "Average Difference" CB 75 1.582 -0.443 1.529 25454 60 1 10 "Average Difference" HN 72 0.613 -0.072 0.613 25454 61 1 11 "Average Difference" N 72 3.621 -0.318 3.632 25454 62 1 11 "Average Difference" HA 79 0.364 0.024 0.366 25454 63 1 11 "Average Difference" C 68 1.359 -0.003 1.369 25454 64 1 11 "Average Difference" CA 77 1.838 -0.080 1.848 25454 65 1 11 "Average Difference" CB 75 1.600 -0.488 1.534 25454 66 1 11 "Average Difference" HN 72 0.609 -0.081 0.608 25454 67 1 12 "Average Difference" N 72 3.401 -0.352 3.407 25454 68 1 12 "Average Difference" HA 79 0.388 0.049 0.387 25454 69 1 12 "Average Difference" C 68 1.209 0.019 1.218 25454 70 1 12 "Average Difference" CA 77 1.681 -0.029 1.692 25454 71 1 12 "Average Difference" CB 75 1.584 -0.471 1.523 25454 72 1 12 "Average Difference" HN 72 0.601 -0.079 0.600 25454 73 1 13 "Average Difference" N 72 3.375 -0.248 3.390 25454 74 1 13 "Average Difference" HA 79 0.408 0.017 0.411 25454 75 1 13 "Average Difference" C 68 1.259 0.004 1.268 25454 76 1 13 "Average Difference" CA 77 1.780 -0.054 1.791 25454 77 1 13 "Average Difference" CB 75 1.671 -0.577 1.579 25454 78 1 13 "Average Difference" HN 72 0.569 -0.053 0.571 25454 79 1 14 "Average Difference" N 72 3.538 -0.497 3.527 25454 80 1 14 "Average Difference" HA 79 0.400 0.026 0.402 25454 81 1 14 "Average Difference" C 68 1.122 0.092 1.127 25454 82 1 14 "Average Difference" CA 77 1.805 -0.082 1.814 25454 83 1 14 "Average Difference" CB 75 1.590 -0.577 1.491 25454 84 1 14 "Average Difference" HN 72 0.598 -0.096 0.594 25454 85 1 15 "Average Difference" N 72 3.165 -0.189 3.181 25454 86 1 15 "Average Difference" HA 79 0.409 0.010 0.412 25454 87 1 15 "Average Difference" C 68 1.144 -0.006 1.152 25454 88 1 15 "Average Difference" CA 77 1.850 -0.068 1.860 25454 89 1 15 "Average Difference" CB 75 1.598 -0.539 1.514 25454 90 1 15 "Average Difference" HN 72 0.602 -0.078 0.601 25454 91 1 16 "Average Difference" N 72 3.237 0.056 3.259 25454 92 1 16 "Average Difference" HA 79 0.410 0.089 0.402 25454 93 1 16 "Average Difference" C 68 1.263 -0.051 1.272 25454 94 1 16 "Average Difference" CA 77 1.836 -0.242 1.832 25454 95 1 16 "Average Difference" CB 75 1.543 -0.467 1.480 25454 96 1 16 "Average Difference" HN 72 0.592 -0.085 0.590 25454 97 1 17 "Average Difference" N 72 3.416 -0.279 3.428 25454 98 1 17 "Average Difference" HA 79 0.405 0.035 0.406 25454 99 1 17 "Average Difference" C 68 1.271 -0.039 1.279 25454 100 1 17 "Average Difference" CA 77 1.863 -0.100 1.873 25454 101 1 17 "Average Difference" CB 75 1.600 -0.514 1.525 25454 102 1 17 "Average Difference" HN 72 0.623 -0.106 0.618 25454 103 1 18 "Average Difference" N 72 3.569 -0.657 3.533 25454 104 1 18 "Average Difference" HA 79 0.403 0.022 0.405 25454 105 1 18 "Average Difference" C 68 1.171 -0.035 1.180 25454 106 1 18 "Average Difference" CA 77 1.798 -0.192 1.799 25454 107 1 18 "Average Difference" CB 75 1.652 -0.544 1.571 25454 108 1 18 "Average Difference" HN 72 0.646 -0.139 0.635 25454 109 1 19 "Average Difference" N 72 3.878 -0.410 3.884 25454 110 1 19 "Average Difference" HA 79 0.399 0.040 0.400 25454 111 1 19 "Average Difference" C 68 1.129 -0.013 1.137 25454 112 1 19 "Average Difference" CA 77 1.842 -0.047 1.854 25454 113 1 19 "Average Difference" CB 75 1.672 -0.576 1.580 25454 114 1 19 "Average Difference" HN 72 0.637 -0.079 0.636 25454 115 1 20 "Average Difference" N 72 3.445 -0.106 3.468 25454 116 1 20 "Average Difference" HA 79 0.389 0.037 0.390 25454 117 1 20 "Average Difference" C 68 1.327 -0.112 1.332 25454 118 1 20 "Average Difference" CA 77 1.795 -0.139 1.802 25454 119 1 20 "Average Difference" CB 75 1.657 -0.461 1.602 25454 120 1 20 "Average Difference" HN 72 0.639 -0.075 0.639 25454 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 25454 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ASN N N 2 118.440 118.440 118.042 0.398 25454 2 1 . 1 1 2 2 ASN HA H 2 4.660 4.660 4.660 -0.000 25454 3 1 . 1 1 2 2 ASN C C 2 174.884 174.884 175.031 -0.147 25454 4 1 . 1 1 2 2 ASN CA C 2 53.730 53.730 53.655 0.075 25454 5 1 . 1 1 2 2 ASN CB C 2 38.500 38.500 38.519 -0.019 25454 6 1 . 1 1 2 2 ASN H H 2 8.869 8.869 8.678 0.191 25454 7 1 . 1 1 3 3 GLU N N 3 121.390 121.390 120.476 0.914 25454 8 1 . 1 1 3 3 GLU HA H 3 4.416 4.416 4.298 0.118 25454 9 1 . 1 1 3 3 GLU C C 3 175.916 175.916 176.086 -0.170 25454 10 1 . 1 1 3 3 GLU CA C 3 56.300 56.300 56.582 -0.282 25454 11 1 . 1 1 3 3 GLU CB C 3 29.810 29.810 30.218 -0.408 25454 12 1 . 1 1 3 3 GLU H H 3 8.560 8.560 8.456 0.104 25454 13 1 . 1 1 4 4 SER N N 4 118.190 118.190 114.967 3.223 25454 14 1 . 1 1 4 4 SER HA H 4 4.716 4.716 4.432 0.284 25454 15 1 . 1 1 4 4 SER C C 4 175.686 175.686 174.708 0.978 25454 16 1 . 1 1 4 4 SER CA C 4 57.890 57.890 57.331 0.559 25454 17 1 . 1 1 4 4 SER CB C 4 65.080 65.080 62.949 2.131 25454 18 1 . 1 1 4 4 SER H H 4 8.802 8.802 8.236 0.566 25454 19 1 . 1 1 5 5 ALA N N 5 128.990 128.990 128.618 0.372 25454 20 1 . 1 1 5 5 ALA HA H 5 4.142 4.142 4.094 0.048 25454 21 1 . 1 1 5 5 ALA C C 5 179.112 179.112 178.823 0.289 25454 22 1 . 1 1 5 5 ALA CA C 5 55.880 55.880 54.688 1.192 25454 23 1 . 1 1 5 5 ALA CB C 5 18.110 18.110 18.977 -0.867 25454 24 1 . 1 1 5 5 ALA H H 5 8.992 8.992 8.789 0.203 25454 25 1 . 1 1 6 6 LYS N N 6 114.810 114.810 115.182 -0.372 25454 26 1 . 1 1 6 6 LYS HA H 6 3.221 3.221 2.803 0.418 25454 27 1 . 1 1 6 6 LYS C C 6 177.448 177.448 176.422 1.026 25454 28 1 . 1 1 6 6 LYS CA C 6 57.740 57.740 57.711 0.029 25454 29 1 . 1 1 6 6 LYS CB C 6 31.830 31.830 31.551 0.279 25454 30 1 . 1 1 6 6 LYS H H 6 7.776 7.776 7.930 -0.154 25454 31 1 . 1 1 7 7 ASP N N 7 119.190 119.190 117.157 2.033 25454 32 1 . 1 1 7 7 ASP HA H 7 4.748 4.748 4.834 -0.086 25454 33 1 . 1 1 7 7 ASP C C 7 176.254 176.254 175.268 0.986 25454 34 1 . 1 1 7 7 ASP CA C 7 53.800 53.800 52.832 0.969 25454 35 1 . 1 1 7 7 ASP CB C 7 41.560 41.560 41.584 -0.024 25454 36 1 . 1 1 7 7 ASP H H 7 7.744 7.744 7.579 0.165 25454 37 1 . 1 1 8 8 MET N N 8 122.540 122.540 121.545 0.995 25454 38 1 . 1 1 8 8 MET HA H 8 4.502 4.502 4.422 0.080 25454 39 1 . 1 1 8 8 MET C C 8 176.932 176.932 175.815 1.117 25454 40 1 . 1 1 8 8 MET CA C 8 56.390 56.390 56.565 -0.175 25454 41 1 . 1 1 8 8 MET CB C 8 35.300 35.300 33.283 2.017 25454 42 1 . 1 1 8 8 MET H H 8 7.925 7.925 7.375 0.550 25454 43 1 . 1 1 9 9 THR N N 9 121.410 121.410 121.722 -0.312 25454 44 1 . 1 1 9 9 THR HA H 9 4.794 4.794 4.417 0.377 25454 45 1 . 1 1 9 9 THR C C 9 176.198 176.198 175.319 0.879 25454 46 1 . 1 1 9 9 THR CA C 9 61.960 61.960 62.626 -0.666 25454 47 1 . 1 1 9 9 THR CB C 9 72.200 72.200 70.234 1.966 25454 48 1 . 1 1 9 9 THR H H 9 9.927 9.927 8.250 1.677 25454 49 1 . 1 1 10 10 CYS N N 10 121.150 121.150 125.618 -4.468 25454 50 1 . 1 1 10 10 CYS HA H 10 4.685 4.685 4.290 0.395 25454 51 1 . 1 1 10 10 CYS C C 10 177.324 177.324 177.041 0.284 25454 52 1 . 1 1 10 10 CYS CA C 10 56.970 56.970 62.346 -5.376 25454 53 1 . 1 1 10 10 CYS CB C 10 32.440 32.440 25.824 6.616 25454 54 1 . 1 1 10 10 CYS H H 10 9.765 9.765 8.834 0.931 25454 55 1 . 1 1 11 11 GLN N N 11 121.360 121.360 119.759 1.601 25454 56 1 . 1 1 11 11 GLN HA H 11 3.894 3.894 4.109 -0.215 25454 57 1 . 1 1 11 11 GLN C C 11 176.902 176.902 177.495 -0.593 25454 58 1 . 1 1 11 11 GLN CA C 11 58.680 58.680 58.537 0.143 25454 59 1 . 1 1 11 11 GLN CB C 11 28.900 28.900 28.253 0.647 25454 60 1 . 1 1 11 11 GLN H H 11 8.583 8.583 8.244 0.339 25454 61 1 . 1 1 12 12 GLU N N 12 117.090 117.090 119.214 -2.124 25454 62 1 . 1 1 12 12 GLU HA H 12 3.983 3.983 4.144 -0.161 25454 63 1 . 1 1 12 12 GLU C C 12 179.763 179.763 178.769 0.994 25454 64 1 . 1 1 12 12 GLU CA C 12 59.528 59.528 57.954 1.574 25454 65 1 . 1 1 12 12 GLU CB C 12 31.830 31.830 29.860 1.970 25454 66 1 . 1 1 12 12 GLU H H 12 7.867 7.867 7.765 0.102 25454 67 1 . 1 1 13 13 PHE N N 13 119.630 119.630 121.762 -2.132 25454 68 1 . 1 1 13 13 PHE HA H 13 4.269 4.269 4.246 0.023 25454 69 1 . 1 1 13 13 PHE C C 13 176.432 176.432 178.075 -1.643 25454 70 1 . 1 1 13 13 PHE CA C 13 61.150 61.150 61.328 -0.178 25454 71 1 . 1 1 13 13 PHE CB C 13 39.520 39.520 39.598 -0.078 25454 72 1 . 1 1 13 13 PHE H H 13 8.182 8.182 8.527 -0.345 25454 73 1 . 1 1 14 14 ILE N N 14 114.180 114.180 113.854 0.326 25454 74 1 . 1 1 14 14 ILE HA H 14 3.761 3.761 3.805 -0.044 25454 75 1 . 1 1 14 14 ILE C C 14 177.089 177.089 175.871 1.218 25454 76 1 . 1 1 14 14 ILE CA C 14 63.030 63.030 63.105 -0.075 25454 77 1 . 1 1 14 14 ILE CB C 14 36.740 36.740 37.226 -0.486 25454 78 1 . 1 1 14 14 ILE H H 14 8.191 8.191 8.038 0.153 25454 79 1 . 1 1 15 15 ASP N N 15 120.260 120.260 119.405 0.855 25454 80 1 . 1 1 15 15 ASP HA H 15 4.716 4.716 4.686 0.030 25454 81 1 . 1 1 15 15 ASP C C 15 174.697 174.697 176.471 -1.774 25454 82 1 . 1 1 15 15 ASP CA C 15 54.080 54.080 53.781 0.299 25454 83 1 . 1 1 15 15 ASP CB C 15 40.810 40.810 42.565 -1.755 25454 84 1 . 1 1 15 15 ASP H H 15 7.478 7.478 7.654 -0.176 25454 85 1 . 1 1 16 16 LEU N N 16 122.985 122.985 119.532 3.453 25454 86 1 . 1 1 16 16 LEU HA H 16 4.067 4.067 4.290 -0.223 25454 87 1 . 1 1 16 16 LEU C C 16 176.710 176.710 176.112 0.598 25454 88 1 . 1 1 16 16 LEU CA C 16 55.028 55.028 55.171 -0.143 25454 89 1 . 1 1 16 16 LEU CB C 16 43.370 43.370 42.644 0.726 25454 90 1 . 1 1 16 16 LEU H H 16 7.226 7.226 7.346 -0.120 25454 91 1 . 1 1 17 17 ASN N N 17 119.620 119.620 119.413 0.207 25454 92 1 . 1 1 17 17 ASN HA H 17 4.634 4.634 4.789 -0.155 25454 93 1 . 1 1 17 17 ASN CA C 17 52.048 52.048 51.262 0.786 25454 94 1 . 1 1 17 17 ASN CB C 17 39.480 39.480 38.631 0.848 25454 95 1 . 1 1 17 17 ASN H H 17 7.265 7.265 8.387 -1.122 25454 96 1 . 1 1 18 18 PRO HA H 18 4.137 4.137 4.162 -0.025 25454 97 1 . 1 1 18 18 PRO C C 18 179.247 179.247 177.974 1.273 25454 98 1 . 1 1 18 18 PRO CA C 18 65.370 65.370 64.668 0.702 25454 99 1 . 1 1 18 18 PRO CB C 18 32.610 32.610 31.930 0.680 25454 100 1 . 1 1 19 19 LYS N N 19 116.450 116.450 118.853 -2.403 25454 101 1 . 1 1 19 19 LYS HA H 19 3.856 3.856 3.991 -0.136 25454 102 1 . 1 1 19 19 LYS C C 19 176.995 176.995 178.831 -1.836 25454 103 1 . 1 1 19 19 LYS CA C 19 59.080 59.080 59.512 -0.432 25454 104 1 . 1 1 19 19 LYS CB C 19 34.940 34.940 32.011 2.929 25454 105 1 . 1 1 19 19 LYS H H 19 8.445 8.445 8.743 -0.298 25454 106 1 . 1 1 20 20 ALA N N 20 116.170 116.170 121.005 -4.835 25454 107 1 . 1 1 20 20 ALA HA H 20 4.255 4.255 4.379 -0.124 25454 108 1 . 1 1 20 20 ALA C C 20 177.511 177.511 179.237 -1.726 25454 109 1 . 1 1 20 20 ALA CA C 20 51.640 51.640 53.697 -2.057 25454 110 1 . 1 1 20 20 ALA CB C 20 21.660 21.660 18.149 3.511 25454 111 1 . 1 1 20 20 ALA H H 20 8.400 8.400 7.805 0.595 25454 112 1 . 1 1 21 21 MET N N 21 117.850 117.850 119.033 -1.183 25454 113 1 . 1 1 21 21 MET HA H 21 3.645 3.645 4.014 -0.369 25454 114 1 . 1 1 21 21 MET C C 21 177.511 177.511 177.866 -0.355 25454 115 1 . 1 1 21 21 MET CA C 21 61.418 61.418 59.896 1.522 25454 116 1 . 1 1 21 21 MET CB C 21 33.220 33.220 32.551 0.669 25454 117 1 . 1 1 21 21 MET H H 21 7.206 7.206 8.219 -1.013 25454 118 1 . 1 1 22 22 THR N N 22 114.690 114.690 115.436 -0.746 25454 119 1 . 1 1 22 22 THR HA H 22 4.115 4.115 4.261 -0.146 25454 120 1 . 1 1 22 22 THR CA C 22 69.550 69.550 68.504 1.046 25454 121 1 . 1 1 22 22 THR CB C 22 65.700 65.700 66.620 -0.920 25454 122 1 . 1 1 22 22 THR H H 22 8.695 8.695 7.855 0.840 25454 123 1 . 1 1 23 23 PRO HA H 23 3.550 3.550 4.324 -0.774 25454 124 1 . 1 1 23 23 PRO C C 23 178.637 178.637 178.751 -0.114 25454 125 1 . 1 1 23 23 PRO CA C 23 65.770 65.770 65.931 -0.161 25454 126 1 . 1 1 23 23 PRO CB C 23 31.182 31.182 31.175 0.007 25454 127 1 . 1 1 24 24 VAL N N 24 115.820 115.820 119.088 -3.268 25454 128 1 . 1 1 24 24 VAL HA H 24 3.675 3.675 3.998 -0.323 25454 129 1 . 1 1 24 24 VAL C C 24 177.464 177.464 177.766 -0.302 25454 130 1 . 1 1 24 24 VAL CA C 24 67.490 67.490 65.562 1.928 25454 131 1 . 1 1 24 24 VAL CB C 24 31.970 31.970 31.522 0.448 25454 132 1 . 1 1 24 24 VAL H H 24 7.441 7.441 7.642 -0.201 25454 133 1 . 1 1 25 25 ALA N N 25 122.670 122.670 122.339 0.331 25454 134 1 . 1 1 25 25 ALA HA H 25 3.783 3.783 4.192 -0.409 25454 135 1 . 1 1 25 25 ALA C C 25 178.497 178.497 179.007 -0.510 25454 136 1 . 1 1 25 25 ALA CA C 25 55.620 55.620 55.104 0.516 25454 137 1 . 1 1 25 25 ALA CB C 25 18.852 18.852 18.493 0.359 25454 138 1 . 1 1 25 25 ALA H H 25 8.805 8.805 8.513 0.292 25454 139 1 . 1 1 26 26 TRP N N 26 118.270 118.270 120.783 -2.513 25454 140 1 . 1 1 26 26 TRP HA H 26 3.709 3.709 4.550 -0.841 25454 141 1 . 1 1 26 26 TRP C C 26 178.309 178.309 177.317 0.992 25454 142 1 . 1 1 26 26 TRP CA C 26 63.940 63.940 60.283 3.657 25454 143 1 . 1 1 26 26 TRP CB C 26 29.740 29.740 30.363 -0.623 25454 144 1 . 1 1 26 26 TRP H H 26 9.181 9.181 8.014 1.167 25454 145 1 . 1 1 27 27 TRP N N 27 119.740 119.740 121.423 -1.683 25454 146 1 . 1 1 27 27 TRP HA H 27 4.118 4.118 3.837 0.281 25454 147 1 . 1 1 27 27 TRP C C 27 177.511 177.511 178.034 -0.523 25454 148 1 . 1 1 27 27 TRP CA C 27 60.588 60.588 59.432 1.156 25454 149 1 . 1 1 27 27 TRP CB C 27 30.021 30.021 29.537 0.484 25454 150 1 . 1 1 27 27 TRP H H 27 8.527 8.527 8.936 -0.409 25454 151 1 . 1 1 28 28 MET N N 28 119.130 119.130 118.573 0.557 25454 152 1 . 1 1 28 28 MET HA H 28 3.618 3.618 3.405 0.213 25454 153 1 . 1 1 28 28 MET C C 28 177.587 177.587 177.589 -0.002 25454 154 1 . 1 1 28 28 MET CA C 28 58.540 58.540 58.071 0.469 25454 155 1 . 1 1 28 28 MET CB C 28 29.392 29.392 31.494 -2.102 25454 156 1 . 1 1 28 28 MET H H 28 7.756 7.756 7.850 -0.094 25454 157 1 . 1 1 29 29 LEU N N 29 117.820 117.820 117.263 0.557 25454 158 1 . 1 1 29 29 LEU HA H 29 3.559 3.559 3.954 -0.395 25454 159 1 . 1 1 29 29 LEU C C 29 179.417 179.417 177.405 2.012 25454 160 1 . 1 1 29 29 LEU CA C 29 57.043 57.043 56.677 0.366 25454 161 1 . 1 1 29 29 LEU CB C 29 42.676 42.676 41.770 0.906 25454 162 1 . 1 1 29 29 LEU H H 29 7.838 7.838 7.488 0.350 25454 163 1 . 1 1 30 30 HIS N N 30 113.790 113.790 114.412 -0.622 25454 164 1 . 1 1 30 30 HIS HA H 30 4.059 4.059 4.612 -0.553 25454 165 1 . 1 1 30 30 HIS C C 30 176.289 176.289 174.706 1.583 25454 166 1 . 1 1 30 30 HIS CA C 30 56.030 56.030 55.209 0.821 25454 167 1 . 1 1 30 30 HIS CB C 30 29.216 29.216 30.867 -1.651 25454 168 1 . 1 1 30 30 HIS H H 30 7.757 7.757 7.763 -0.006 25454 169 1 . 1 1 31 31 GLU N N 31 125.870 125.870 119.730 6.140 25454 170 1 . 1 1 31 31 GLU HA H 31 4.450 4.450 4.029 0.420 25454 171 1 . 1 1 31 31 GLU C C 31 176.775 176.775 176.281 0.494 25454 172 1 . 1 1 31 31 GLU CA C 31 56.160 56.160 56.888 -0.728 25454 173 1 . 1 1 31 31 GLU CB C 31 28.386 28.386 29.799 -1.413 25454 174 1 . 1 1 31 31 GLU H H 31 8.916 8.916 7.900 1.016 25454 175 1 . 1 1 32 32 GLU N N 32 116.185 116.185 120.409 -4.224 25454 176 1 . 1 1 32 32 GLU HA H 32 3.563 3.563 4.128 -0.565 25454 177 1 . 1 1 32 32 GLU C C 32 174.994 174.994 176.574 -1.580 25454 178 1 . 1 1 32 32 GLU CA C 32 58.090 58.090 57.367 0.723 25454 179 1 . 1 1 32 32 GLU CB C 32 26.783 26.783 28.765 -1.982 25454 180 1 . 1 1 32 32 GLU H H 32 9.330 9.330 8.514 0.816 25454 181 1 . 1 1 33 33 THR N N 33 110.202 110.202 114.715 -4.513 25454 182 1 . 1 1 33 33 THR HA H 33 4.696 4.696 4.243 0.453 25454 183 1 . 1 1 33 33 THR C C 33 173.529 173.529 174.306 -0.777 25454 184 1 . 1 1 33 33 THR CA C 33 60.129 60.129 62.255 -2.126 25454 185 1 . 1 1 33 33 THR CB C 33 71.864 71.864 69.098 2.766 25454 186 1 . 1 1 33 33 THR H H 33 7.620 7.620 7.820 -0.200 25454 187 1 . 1 1 34 34 VAL N N 34 121.967 121.967 122.389 -0.422 25454 188 1 . 1 1 34 34 VAL HA H 34 4.139 4.139 4.020 0.119 25454 189 1 . 1 1 34 34 VAL C C 34 172.579 172.579 174.989 -2.410 25454 190 1 . 1 1 34 34 VAL CA C 34 63.032 63.032 62.467 0.565 25454 191 1 . 1 1 34 34 VAL CB C 34 32.594 32.594 32.652 -0.058 25454 192 1 . 1 1 34 34 VAL H H 34 8.308 8.308 8.049 0.259 25454 193 1 . 1 1 35 35 TYR N N 35 129.550 129.550 124.872 4.678 25454 194 1 . 1 1 35 35 TYR HA H 35 4.562 4.562 4.446 0.116 25454 195 1 . 1 1 35 35 TYR CA C 35 58.660 58.660 58.212 0.448 25454 196 1 . 1 1 35 35 TYR CB C 35 39.520 39.520 38.636 0.884 25454 197 1 . 1 1 35 35 TYR H H 35 8.610 8.610 8.524 0.086 25454 198 1 . 1 1 36 36 LYS N N 36 129.360 129.360 122.296 7.064 25454 199 1 . 1 1 36 36 LYS HA H 36 4.411 4.411 4.317 0.094 25454 200 1 . 1 1 36 36 LYS CA C 36 55.626 55.626 56.232 -0.606 25454 201 1 . 1 1 36 36 LYS CB C 36 32.790 32.790 32.953 -0.163 25454 202 1 . 1 1 36 36 LYS H H 36 8.509 8.509 8.385 0.124 25454 203 1 . 1 1 37 37 GLY N N 37 109.150 109.150 107.536 1.614 25454 204 1 . 1 1 37 37 GLY C C 37 174.428 174.428 174.501 -0.073 25454 205 1 . 1 1 37 37 GLY CA C 37 46.427 46.427 45.247 1.180 25454 206 1 . 1 1 37 37 GLY H H 37 6.819 6.819 8.506 -1.687 25454 207 1 . 1 1 38 38 GLY N N 38 110.780 110.780 108.641 2.139 25454 208 1 . 1 1 38 38 GLY C C 38 174.108 174.108 173.207 0.901 25454 209 1 . 1 1 38 38 GLY CA C 38 44.972 44.972 44.846 0.125 25454 210 1 . 1 1 38 38 GLY H H 38 8.365 8.365 7.933 0.432 25454 211 1 . 1 1 39 39 ASP N N 39 120.800 120.800 117.754 3.046 25454 212 1 . 1 1 39 39 ASP HA H 39 4.789 4.789 4.747 0.042 25454 213 1 . 1 1 39 39 ASP C C 39 177.820 177.820 176.767 1.053 25454 214 1 . 1 1 39 39 ASP CA C 39 55.340 55.340 54.390 0.950 25454 215 1 . 1 1 39 39 ASP CB C 39 41.150 41.150 41.330 -0.180 25454 216 1 . 1 1 39 39 ASP H H 39 8.476 8.476 8.475 0.001 25454 217 1 . 1 1 40 40 THR N N 40 111.201 111.201 115.457 -4.256 25454 218 1 . 1 1 40 40 THR HA H 40 3.753 3.753 4.232 -0.479 25454 219 1 . 1 1 40 40 THR C C 40 175.526 175.526 175.485 0.041 25454 220 1 . 1 1 40 40 THR CA C 40 60.300 60.300 62.201 -1.901 25454 221 1 . 1 1 40 40 THR CB C 40 71.278 71.278 67.694 3.584 25454 222 1 . 1 1 40 40 THR H H 40 8.132 8.132 8.273 -0.141 25454 223 1 . 1 1 41 41 VAL N N 41 125.014 125.014 117.228 7.786 25454 224 1 . 1 1 41 41 VAL HA H 41 3.831 3.831 3.662 0.169 25454 225 1 . 1 1 41 41 VAL C C 41 174.100 174.100 176.072 -1.972 25454 226 1 . 1 1 41 41 VAL CA C 41 63.988 63.988 63.191 0.797 25454 227 1 . 1 1 41 41 VAL CB C 41 30.465 30.465 30.601 -0.136 25454 228 1 . 1 1 41 41 VAL H H 41 8.278 8.278 7.598 0.680 25454 229 1 . 1 1 42 42 THR N N 42 121.970 121.970 114.758 7.212 25454 230 1 . 1 1 42 42 THR HA H 42 4.603 4.603 4.101 0.502 25454 231 1 . 1 1 42 42 THR C C 42 172.978 172.978 174.702 -1.724 25454 232 1 . 1 1 42 42 THR CA C 42 60.166 60.166 63.030 -2.864 25454 233 1 . 1 1 42 42 THR CB C 42 70.588 70.588 69.544 1.044 25454 234 1 . 1 1 42 42 THR H H 42 7.849 7.849 7.610 0.239 25454 235 1 . 1 1 43 43 LEU N N 43 122.979 122.979 124.193 -1.214 25454 236 1 . 1 1 43 43 LEU HA H 43 5.041 5.041 4.440 0.601 25454 237 1 . 1 1 43 43 LEU CA C 43 55.072 55.072 54.817 0.255 25454 238 1 . 1 1 43 43 LEU CB C 43 42.661 42.661 41.244 1.417 25454 239 1 . 1 1 43 43 LEU H H 43 8.310 8.310 8.374 -0.064 25454 240 1 . 1 1 44 44 ASN N N 44 124.579 124.579 122.230 2.349 25454 241 1 . 1 1 44 44 ASN HA H 44 5.135 5.135 4.803 0.332 25454 242 1 . 1 1 44 44 ASN C C 44 175.736 175.736 175.780 -0.044 25454 243 1 . 1 1 44 44 ASN CA C 44 50.814 50.814 52.562 -1.748 25454 244 1 . 1 1 44 44 ASN CB C 44 40.280 40.280 39.897 0.383 25454 245 1 . 1 1 44 44 ASN H H 44 9.542 9.542 8.550 0.992 25454 246 1 . 1 1 45 45 GLU N N 45 118.210 118.210 119.627 -1.417 25454 247 1 . 1 1 45 45 GLU HA H 45 4.088 4.088 4.072 0.016 25454 248 1 . 1 1 45 45 GLU C C 45 179.010 179.010 178.449 0.561 25454 249 1 . 1 1 45 45 GLU CA C 45 60.349 60.349 59.864 0.485 25454 250 1 . 1 1 45 45 GLU CB C 45 28.908 28.908 29.409 -0.501 25454 251 1 . 1 1 45 45 GLU H H 45 8.752 8.752 8.959 -0.207 25454 252 1 . 1 1 46 46 THR N N 46 116.430 116.430 116.169 0.261 25454 253 1 . 1 1 46 46 THR HA H 46 4.114 4.114 4.015 0.099 25454 254 1 . 1 1 46 46 THR C C 46 176.994 176.994 176.186 0.808 25454 255 1 . 1 1 46 46 THR CA C 46 66.260 66.260 67.158 -0.898 25454 256 1 . 1 1 46 46 THR CB C 46 68.270 68.270 68.488 -0.218 25454 257 1 . 1 1 46 46 THR H H 46 8.043 8.043 8.046 -0.003 25454 258 1 . 1 1 47 47 ASP N N 47 124.380 124.380 122.699 1.681 25454 259 1 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.449 -0.105 25454 260 1 . 1 1 47 47 ASP C C 47 178.914 178.914 178.504 0.410 25454 261 1 . 1 1 47 47 ASP CA C 47 58.630 58.630 57.649 0.981 25454 262 1 . 1 1 47 47 ASP CB C 47 42.350 42.350 40.582 1.768 25454 263 1 . 1 1 47 47 ASP H H 47 8.475 8.475 8.170 0.305 25454 264 1 . 1 1 48 48 LEU N N 48 116.889 116.889 119.136 -2.247 25454 265 1 . 1 1 48 48 LEU HA H 48 4.118 4.118 4.137 -0.019 25454 266 1 . 1 1 48 48 LEU C C 48 175.839 175.839 179.091 -3.252 25454 267 1 . 1 1 48 48 LEU CA C 48 57.432 57.432 57.871 -0.439 25454 268 1 . 1 1 48 48 LEU CB C 48 41.430 41.430 41.839 -0.409 25454 269 1 . 1 1 48 48 LEU H H 48 8.082 8.082 8.422 -0.340 25454 270 1 . 1 1 49 49 THR N N 49 112.550 112.550 115.018 -2.468 25454 271 1 . 1 1 49 49 THR HA H 49 4.310 4.310 4.178 0.132 25454 272 1 . 1 1 49 49 THR C C 49 177.306 177.306 176.432 0.874 25454 273 1 . 1 1 49 49 THR CA C 49 64.520 64.520 66.006 -1.486 25454 274 1 . 1 1 49 49 THR CB C 49 69.525 69.525 68.899 0.626 25454 275 1 . 1 1 49 49 THR H H 49 7.743 7.743 7.838 -0.095 25454 276 1 . 1 1 50 50 GLN N N 50 121.570 121.570 120.831 0.739 25454 277 1 . 1 1 50 50 GLN HA H 50 4.344 4.344 4.261 0.083 25454 278 1 . 1 1 50 50 GLN C C 50 178.308 178.308 178.300 0.008 25454 279 1 . 1 1 50 50 GLN CA C 50 58.630 58.630 57.796 0.834 25454 280 1 . 1 1 50 50 GLN CB C 50 30.850 30.850 28.473 2.376 25454 281 1 . 1 1 50 50 GLN H H 50 8.519 8.519 8.003 0.516 25454 282 1 . 1 1 51 51 ILE N N 51 120.320 120.320 121.277 -0.957 25454 283 1 . 1 1 51 51 ILE HA H 51 3.573 3.573 3.977 -0.404 25454 284 1 . 1 1 51 51 ILE CA C 51 69.155 69.155 65.929 3.226 25454 285 1 . 1 1 51 51 ILE CB C 51 35.659 35.659 35.372 0.287 25454 286 1 . 1 1 51 51 ILE H H 51 8.663 8.663 8.753 -0.090 25454 287 1 . 1 1 52 52 PRO HA H 52 4.301 4.301 4.345 -0.044 25454 288 1 . 1 1 52 52 PRO C C 52 179.686 179.686 178.732 0.954 25454 289 1 . 1 1 52 52 PRO CA C 52 66.190 66.190 65.527 0.663 25454 290 1 . 1 1 52 52 PRO CB C 52 31.270 31.270 31.291 -0.021 25454 291 1 . 1 1 53 53 LYS N N 53 116.520 116.520 118.428 -1.908 25454 292 1 . 1 1 53 53 LYS HA H 53 4.231 4.231 4.186 0.045 25454 293 1 . 1 1 53 53 LYS C C 53 179.475 179.475 179.140 0.335 25454 294 1 . 1 1 53 53 LYS CA C 53 59.017 59.017 58.723 0.295 25454 295 1 . 1 1 53 53 LYS CB C 53 31.796 31.796 31.884 -0.088 25454 296 1 . 1 1 53 53 LYS H H 53 7.016 7.016 7.501 -0.485 25454 297 1 . 1 1 54 54 VAL N N 54 125.220 125.220 115.648 9.572 25454 298 1 . 1 1 54 54 VAL HA H 54 3.022 3.022 3.992 -0.970 25454 299 1 . 1 1 54 54 VAL C C 54 177.692 177.692 177.365 0.327 25454 300 1 . 1 1 54 54 VAL CA C 54 65.860 65.860 65.223 0.637 25454 301 1 . 1 1 54 54 VAL CB C 54 30.623 30.623 31.263 -0.640 25454 302 1 . 1 1 54 54 VAL H H 54 8.068 8.068 8.271 -0.203 25454 303 1 . 1 1 55 55 ILE N N 55 119.943 119.943 121.078 -1.135 25454 304 1 . 1 1 55 55 ILE HA H 55 3.641 3.641 4.166 -0.525 25454 305 1 . 1 1 55 55 ILE C C 55 177.515 177.515 177.873 -0.358 25454 306 1 . 1 1 55 55 ILE CA C 55 66.896 66.896 65.080 1.816 25454 307 1 . 1 1 55 55 ILE CB C 55 38.500 38.500 38.314 0.186 25454 308 1 . 1 1 55 55 ILE H H 55 7.589 7.589 7.434 0.155 25454 309 1 . 1 1 56 56 GLU N N 56 118.310 118.310 120.893 -2.583 25454 310 1 . 1 1 56 56 GLU HA H 56 4.010 4.010 4.016 -0.006 25454 311 1 . 1 1 56 56 GLU C C 56 178.518 178.518 179.228 -0.710 25454 312 1 . 1 1 56 56 GLU CA C 56 59.603 59.603 59.874 -0.271 25454 313 1 . 1 1 56 56 GLU CB C 56 29.776 29.776 29.667 0.109 25454 314 1 . 1 1 56 56 GLU H H 56 7.794 7.794 8.453 -0.659 25454 315 1 . 1 1 57 57 TYR N N 57 120.510 120.510 119.455 1.055 25454 316 1 . 1 1 57 57 TYR HA H 57 4.239 4.239 4.286 -0.047 25454 317 1 . 1 1 57 57 TYR C C 57 178.919 178.919 177.856 1.063 25454 318 1 . 1 1 57 57 TYR CA C 57 61.600 61.600 60.381 1.219 25454 319 1 . 1 1 57 57 TYR CB C 57 39.060 39.060 37.944 1.116 25454 320 1 . 1 1 57 57 TYR H H 57 8.495 8.495 8.620 -0.125 25454 321 1 . 1 1 58 58 CYS N N 58 117.760 117.760 117.861 -0.100 25454 322 1 . 1 1 58 58 CYS HA H 58 4.685 4.685 4.370 0.315 25454 323 1 . 1 1 58 58 CYS C C 58 177.217 177.217 176.430 0.787 25454 324 1 . 1 1 58 58 CYS CA C 58 52.020 52.020 61.425 -9.405 25454 325 1 . 1 1 58 58 CYS CB C 58 31.667 31.667 27.143 4.524 25454 326 1 . 1 1 58 58 CYS H H 58 8.672 8.672 7.890 0.782 25454 327 1 . 1 1 59 59 LYS N N 59 120.550 120.550 120.055 0.495 25454 328 1 . 1 1 59 59 LYS HA H 59 4.008 4.008 4.124 -0.116 25454 329 1 . 1 1 59 59 LYS C C 59 179.247 179.247 178.386 0.861 25454 330 1 . 1 1 59 59 LYS CA C 59 59.790 59.790 58.764 1.026 25454 331 1 . 1 1 59 59 LYS CB C 59 32.800 32.800 32.069 0.731 25454 332 1 . 1 1 59 59 LYS H H 59 8.481 8.481 8.340 0.141 25454 333 1 . 1 1 60 60 LYS N N 60 116.830 116.830 118.096 -1.266 25454 334 1 . 1 1 60 60 LYS HA H 60 4.166 4.166 4.236 -0.070 25454 335 1 . 1 1 60 60 LYS C C 60 176.432 176.432 177.300 -0.868 25454 336 1 . 1 1 60 60 LYS CA C 60 57.260 57.260 57.990 -0.730 25454 337 1 . 1 1 60 60 LYS CB C 60 33.760 33.760 33.158 0.602 25454 338 1 . 1 1 60 60 LYS H H 60 7.455 7.455 8.198 -0.743 25454 339 1 . 1 1 61 61 ASN N N 61 117.140 117.140 117.832 -0.692 25454 340 1 . 1 1 61 61 ASN HA H 61 4.686 4.686 5.275 -0.589 25454 341 1 . 1 1 61 61 ASN CA C 61 51.300 51.300 50.949 0.351 25454 342 1 . 1 1 61 61 ASN CB C 61 40.208 40.208 39.151 1.057 25454 343 1 . 1 1 61 61 ASN H H 61 7.368 7.368 7.794 -0.426 25454 344 1 . 1 1 62 62 PRO HA H 62 4.227 4.227 4.450 -0.223 25454 345 1 . 1 1 62 62 PRO C C 62 177.511 177.511 177.721 -0.210 25454 346 1 . 1 1 62 62 PRO CA C 62 65.430 65.430 64.952 0.478 25454 347 1 . 1 1 62 62 PRO CB C 62 31.800 31.800 32.135 -0.335 25454 348 1 . 1 1 63 63 GLN N N 63 114.045 114.045 114.205 -0.160 25454 349 1 . 1 1 63 63 GLN HA H 63 4.450 4.450 4.208 0.241 25454 350 1 . 1 1 63 63 GLN C C 63 177.766 177.766 176.275 1.491 25454 351 1 . 1 1 63 63 GLN CA C 63 56.200 56.200 56.839 -0.639 25454 352 1 . 1 1 63 63 GLN CB C 63 28.200 28.200 28.555 -0.355 25454 353 1 . 1 1 63 63 GLN H H 63 8.578 8.578 8.325 0.253 25454 354 1 . 1 1 64 64 LYS N N 64 119.960 119.960 120.492 -0.532 25454 355 1 . 1 1 64 64 LYS HA H 64 4.452 4.452 4.211 0.241 25454 356 1 . 1 1 64 64 LYS C C 64 176.151 176.151 175.516 0.635 25454 357 1 . 1 1 64 64 LYS CA C 64 55.660 55.660 55.737 -0.077 25454 358 1 . 1 1 64 64 LYS CB C 64 33.500 33.500 32.973 0.527 25454 359 1 . 1 1 64 64 LYS H H 64 7.628 7.628 7.665 -0.037 25454 360 1 . 1 1 65 65 ASN N N 65 120.139 120.139 118.153 1.986 25454 361 1 . 1 1 65 65 ASN HA H 65 4.807 4.807 4.586 0.221 25454 362 1 . 1 1 65 65 ASN CA C 65 54.070 54.070 52.970 1.100 25454 363 1 . 1 1 65 65 ASN CB C 65 38.070 38.070 39.476 -1.406 25454 364 1 . 1 1 65 65 ASN H H 65 8.936 8.936 8.384 0.552 25454 365 1 . 1 1 66 66 LEU N N 66 129.960 129.960 126.348 3.612 25454 366 1 . 1 1 66 66 LEU HA H 66 4.165 4.165 3.564 0.601 25454 367 1 . 1 1 66 66 LEU C C 66 176.948 176.948 177.688 -0.740 25454 368 1 . 1 1 66 66 LEU CA C 66 59.220 59.220 57.167 2.053 25454 369 1 . 1 1 66 66 LEU CB C 66 42.830 42.830 42.120 0.710 25454 370 1 . 1 1 66 66 LEU H H 66 8.939 8.939 8.443 0.496 25454 371 1 . 1 1 67 67 TYR N N 67 115.770 115.770 116.363 -0.593 25454 372 1 . 1 1 67 67 TYR HA H 67 4.077 4.077 4.287 -0.210 25454 373 1 . 1 1 67 67 TYR C C 67 178.731 178.731 177.930 0.801 25454 374 1 . 1 1 67 67 TYR CA C 67 61.277 61.277 59.558 1.719 25454 375 1 . 1 1 67 67 TYR CB C 67 36.768 36.768 37.898 -1.130 25454 376 1 . 1 1 67 67 TYR H H 67 9.409 9.409 8.030 1.379 25454 377 1 . 1 1 68 68 THR N N 68 112.470 112.470 116.413 -3.943 25454 378 1 . 1 1 68 68 THR HA H 68 4.268 4.268 4.068 0.200 25454 379 1 . 1 1 68 68 THR C C 68 176.104 176.104 176.571 -0.467 25454 380 1 . 1 1 68 68 THR CA C 68 64.650 64.650 65.557 -0.907 25454 381 1 . 1 1 68 68 THR CB C 68 70.268 70.268 68.390 1.878 25454 382 1 . 1 1 68 68 THR H H 68 8.076 8.076 8.270 -0.194 25454 383 1 . 1 1 69 69 PHE N N 69 123.660 123.660 119.914 3.746 25454 384 1 . 1 1 69 69 PHE HA H 69 2.811 2.811 4.473 -1.662 25454 385 1 . 1 1 69 69 PHE C C 69 176.290 176.290 176.786 -0.496 25454 386 1 . 1 1 69 69 PHE CA C 69 61.510 61.510 57.334 4.176 25454 387 1 . 1 1 69 69 PHE CB C 69 39.610 39.610 37.671 1.939 25454 388 1 . 1 1 69 69 PHE H H 69 7.969 7.969 7.795 0.174 25454 389 1 . 1 1 70 70 LYS N N 70 113.530 113.530 120.053 -6.523 25454 390 1 . 1 1 70 70 LYS HA H 70 3.757 3.757 4.067 -0.310 25454 391 1 . 1 1 70 70 LYS C C 70 176.269 176.269 178.373 -2.104 25454 392 1 . 1 1 70 70 LYS CA C 70 57.840 57.840 57.917 -0.077 25454 393 1 . 1 1 70 70 LYS CB C 70 32.520 32.520 32.404 0.116 25454 394 1 . 1 1 70 70 LYS H H 70 6.957 6.957 7.864 -0.907 25454 395 1 . 1 1 71 71 ASN N N 71 117.360 117.360 118.161 -0.801 25454 396 1 . 1 1 71 71 ASN HA H 71 4.652 4.652 4.548 0.104 25454 397 1 . 1 1 71 71 ASN C C 71 175.155 175.155 176.930 -1.775 25454 398 1 . 1 1 71 71 ASN CA C 71 53.273 53.273 55.255 -1.982 25454 399 1 . 1 1 71 71 ASN CB C 71 38.870 38.870 38.215 0.655 25454 400 1 . 1 1 71 71 ASN H H 71 7.488 7.488 8.125 -0.637 25454 401 1 . 1 1 72 72 GLN N N 72 119.610 119.610 117.514 2.096 25454 402 1 . 1 1 72 72 GLN HA H 72 4.202 4.202 4.243 -0.041 25454 403 1 . 1 1 72 72 GLN C C 72 179.467 179.467 176.152 3.315 25454 404 1 . 1 1 72 72 GLN CA C 72 56.160 56.160 56.975 -0.815 25454 405 1 . 1 1 72 72 GLN CB C 72 29.460 29.460 28.865 0.596 25454 406 1 . 1 1 72 72 GLN H H 72 7.611 7.611 8.123 -0.512 25454 407 1 . 1 1 73 73 ALA N N 73 125.130 125.130 122.750 2.380 25454 408 1 . 1 1 73 73 ALA HA H 73 4.198 4.198 4.535 -0.336 25454 409 1 . 1 1 73 73 ALA C C 73 177.907 177.907 176.963 0.944 25454 410 1 . 1 1 73 73 ALA CA C 73 52.761 52.761 51.206 1.555 25454 411 1 . 1 1 73 73 ALA CB C 73 19.028 19.028 19.655 -0.627 25454 412 1 . 1 1 73 73 ALA H H 73 8.072 8.072 7.491 0.581 25454 413 1 . 1 1 74 74 SER N N 74 115.100 115.100 118.327 -3.227 25454 414 1 . 1 1 74 74 SER HA H 74 4.344 4.344 4.216 0.128 25454 415 1 . 1 1 74 74 SER C C 74 174.562 174.562 174.394 0.168 25454 416 1 . 1 1 74 74 SER CA C 74 58.640 58.640 58.884 -0.244 25454 417 1 . 1 1 74 74 SER CB C 74 63.660 63.660 63.078 0.582 25454 418 1 . 1 1 74 74 SER H H 74 8.114 8.114 8.550 -0.436 25454 419 1 . 1 1 75 75 ASN N N 75 120.950 120.950 119.815 1.135 25454 420 1 . 1 1 75 75 ASN HA H 75 4.698 4.698 4.563 0.135 25454 421 1 . 1 1 75 75 ASN C C 75 174.790 174.790 175.372 -0.582 25454 422 1 . 1 1 75 75 ASN CA C 75 53.340 53.340 54.071 -0.731 25454 423 1 . 1 1 75 75 ASN CB C 75 38.980 38.980 38.685 0.295 25454 424 1 . 1 1 75 75 ASN H H 75 8.283 8.283 8.111 0.172 25454 425 1 . 1 1 76 76 ASP N N 76 120.550 120.550 120.009 0.541 25454 426 1 . 1 1 76 76 ASP HA H 76 4.603 4.603 4.601 0.002 25454 427 1 . 1 1 76 76 ASP C C 76 175.588 175.588 175.441 0.147 25454 428 1 . 1 1 76 76 ASP CA C 76 53.940 53.940 54.494 -0.554 25454 429 1 . 1 1 76 76 ASP CB C 76 40.510 40.510 40.716 -0.206 25454 430 1 . 1 1 76 76 ASP H H 76 8.201 8.201 8.499 -0.298 25454 431 1 . 1 1 77 77 LEU N N 77 123.780 123.780 117.365 6.415 25454 432 1 . 1 1 77 77 LEU HA H 77 4.600 4.600 4.483 0.117 25454 433 1 . 1 1 77 77 LEU CA C 77 52.980 52.980 52.346 0.634 25454 434 1 . 1 1 77 77 LEU CB C 77 41.850 41.850 41.436 0.414 25454 435 1 . 1 1 77 77 LEU H H 77 8.021 8.021 7.529 0.492 25454 436 1 . 1 1 78 78 PRO HA H 78 4.417 4.417 4.520 -0.103 25454 437 1 . 1 1 78 78 PRO C C 78 176.058 176.058 176.254 -0.196 25454 438 1 . 1 1 78 78 PRO CA C 78 63.260 63.260 62.637 0.623 25454 439 1 . 1 1 78 78 PRO CB C 78 31.956 31.956 32.427 -0.470 25454 stop_ save_