data_19538 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19538 _Entry.PDB_ID 2MF7 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 19538 _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 ALA N N 2 122.815 122.815 120.582 2.233 19538 2 1 1 . 1 1 2 2 ALA HA H 2 4.293 4.293 3.823 0.470 19538 3 1 1 . 1 1 2 2 ALA CA C 2 52.085 52.085 53.219 -1.134 19538 4 1 1 . 1 1 2 2 ALA CB C 2 19.067 19.067 17.927 1.140 19538 5 1 1 . 1 1 2 2 ALA H H 2 8.102 8.102 8.440 -0.338 19538 6 1 1 . 1 1 3 3 MET N N 3 119.897 119.897 117.942 1.955 19538 7 1 1 . 1 1 3 3 MET HA H 3 4.401 4.401 4.214 0.187 19538 8 1 1 . 1 1 3 3 MET CA C 3 55.339 55.339 58.368 -3.029 19538 9 1 1 . 1 1 3 3 MET CB C 3 32.938 32.938 32.687 0.251 19538 10 1 1 . 1 1 3 3 MET H H 3 8.501 8.501 8.050 0.451 19538 11 1 1 . 1 1 4 4 GLY N N 4 110.174 110.174 105.882 4.292 19538 12 1 1 . 1 1 4 4 GLY CA C 4 44.706 44.706 43.812 0.894 19538 13 1 1 . 1 1 4 4 GLY H H 4 8.498 8.498 8.311 0.187 19538 14 1 1 . 1 1 5 5 SER HA H 5 4.368 4.368 4.304 0.064 19538 15 1 1 . 1 1 5 5 SER CA C 5 58.467 58.467 59.346 -0.879 19538 16 1 1 . 1 1 5 5 SER CB C 5 63.530 63.530 62.842 0.688 19538 17 1 1 . 1 1 6 6 GLY CA C 6 45.983 45.983 47.634 -1.651 19538 18 1 1 . 1 1 7 7 ASP N N 7 122.649 122.649 121.461 1.188 19538 19 1 1 . 1 1 7 7 ASP HA H 7 4.375 4.375 4.690 -0.315 19538 20 1 1 . 1 1 7 7 ASP CA C 7 56.523 56.523 57.007 -0.484 19538 21 1 1 . 1 1 7 7 ASP CB C 7 40.235 40.235 39.420 0.815 19538 22 1 1 . 1 1 7 7 ASP H H 7 8.457 8.457 8.004 0.453 19538 23 1 1 . 1 1 8 8 THR N N 8 116.751 116.751 116.942 -0.191 19538 24 1 1 . 1 1 8 8 THR HA H 8 3.853 3.853 4.038 -0.185 19538 25 1 1 . 1 1 8 8 THR CA C 8 66.104 66.104 66.680 -0.576 19538 26 1 1 . 1 1 8 8 THR CB C 8 68.047 68.047 68.384 -0.337 19538 27 1 1 . 1 1 8 8 THR H H 8 8.128 8.128 8.005 0.123 19538 28 1 1 . 1 1 9 9 GLN N N 9 120.186 120.186 121.127 -0.941 19538 29 1 1 . 1 1 9 9 GLN HA H 9 4.038 4.038 4.144 -0.106 19538 30 1 1 . 1 1 9 9 GLN CA C 9 58.699 58.699 59.409 -0.710 19538 31 1 1 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.774 -0.674 19538 32 1 1 . 1 1 9 9 GLN H H 9 7.831 7.831 8.819 -0.988 19538 33 1 1 . 1 1 10 10 LEU N N 10 120.735 120.735 120.270 0.465 19538 34 1 1 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.077 -0.160 19538 35 1 1 . 1 1 10 10 LEU CA C 10 58.126 58.126 58.162 -0.036 19538 36 1 1 . 1 1 10 10 LEU CB C 10 41.935 41.935 41.712 0.223 19538 37 1 1 . 1 1 10 10 LEU H H 10 7.670 7.670 9.049 -1.379 19538 38 1 1 . 1 1 11 11 PHE N N 11 117.802 117.802 120.914 -3.112 19538 39 1 1 . 1 1 11 11 PHE HA H 11 3.821 3.821 3.782 0.039 19538 40 1 1 . 1 1 11 11 PHE CA C 11 60.224 60.224 62.031 -1.807 19538 41 1 1 . 1 1 11 11 PHE CB C 11 38.798 38.798 38.930 -0.132 19538 42 1 1 . 1 1 11 11 PHE H H 11 7.939 7.939 9.226 -1.287 19538 43 1 1 . 1 1 12 12 ASN N N 12 117.152 117.152 117.664 -0.512 19538 44 1 1 . 1 1 12 12 ASN HA H 12 3.868 3.868 4.160 -0.292 19538 45 1 1 . 1 1 12 12 ASN CA C 12 55.410 55.410 56.492 -1.082 19538 46 1 1 . 1 1 12 12 ASN CB C 12 37.188 37.188 38.008 -0.820 19538 47 1 1 . 1 1 12 12 ASN H H 12 8.562 8.562 8.109 0.453 19538 48 1 1 . 1 1 13 13 ARG N N 13 119.825 119.825 121.209 -1.384 19538 49 1 1 . 1 1 13 13 ARG HA H 13 3.914 3.914 4.121 -0.207 19538 50 1 1 . 1 1 13 13 ARG CA C 13 58.623 58.623 59.611 -0.988 19538 51 1 1 . 1 1 13 13 ARG CB C 13 31.719 31.719 30.371 1.348 19538 52 1 1 . 1 1 13 13 ARG H H 13 8.006 8.006 8.427 -0.421 19538 53 1 1 . 1 1 14 14 ALA N N 14 122.749 122.749 122.232 0.517 19538 54 1 1 . 1 1 14 14 ALA HA H 14 3.938 3.938 3.981 -0.043 19538 55 1 1 . 1 1 14 14 ALA CA C 14 54.976 54.976 54.875 0.101 19538 56 1 1 . 1 1 14 14 ALA CB C 14 19.446 19.446 18.727 0.719 19538 57 1 1 . 1 1 14 14 ALA H H 14 8.163 8.163 8.678 -0.515 19538 58 1 1 . 1 1 15 15 VAL N N 15 118.460 118.460 119.030 -0.570 19538 59 1 1 . 1 1 15 15 VAL HA H 15 3.219 3.219 3.633 -0.414 19538 60 1 1 . 1 1 15 15 VAL CA C 15 66.611 66.611 65.783 0.828 19538 61 1 1 . 1 1 15 15 VAL CB C 15 30.889 30.889 31.297 -0.408 19538 62 1 1 . 1 1 15 15 VAL H H 15 8.718 8.718 8.298 0.420 19538 63 1 1 . 1 1 16 16 SER N N 16 113.102 113.102 116.007 -2.905 19538 64 1 1 . 1 1 16 16 SER HA H 16 4.144 4.144 4.072 0.072 19538 65 1 1 . 1 1 16 16 SER CA C 16 60.888 60.888 61.922 -1.034 19538 66 1 1 . 1 1 16 16 SER CB C 16 62.503 62.503 62.565 -0.062 19538 67 1 1 . 1 1 16 16 SER H H 16 7.243 7.243 8.111 -0.868 19538 68 1 1 . 1 1 17 17 MET N N 17 117.447 117.447 120.719 -3.272 19538 69 1 1 . 1 1 17 17 MET HA H 17 3.875 3.875 4.160 -0.285 19538 70 1 1 . 1 1 17 17 MET CA C 17 58.575 58.575 58.700 -0.125 19538 71 1 1 . 1 1 17 17 MET CB C 17 33.489 33.489 32.613 0.876 19538 72 1 1 . 1 1 17 17 MET H H 17 7.232 7.232 7.371 -0.139 19538 73 1 1 . 1 1 18 18 VAL N N 18 117.842 117.842 116.384 1.458 19538 74 1 1 . 1 1 18 18 VAL HA H 18 3.357 3.357 3.794 -0.437 19538 75 1 1 . 1 1 18 18 VAL CA C 18 66.065 66.065 65.610 0.455 19538 76 1 1 . 1 1 18 18 VAL CB C 18 31.686 31.686 30.795 0.891 19538 77 1 1 . 1 1 18 18 VAL H H 18 7.678 7.678 7.804 -0.126 19538 78 1 1 . 1 1 19 19 GLU N N 19 113.150 113.150 118.962 -5.812 19538 79 1 1 . 1 1 19 19 GLU HA H 19 3.618 3.618 4.026 -0.408 19538 80 1 1 . 1 1 19 19 GLU CA C 19 58.198 58.198 58.920 -0.723 19538 81 1 1 . 1 1 19 19 GLU CB C 19 29.786 29.786 29.904 -0.118 19538 82 1 1 . 1 1 19 19 GLU H H 19 8.378 8.378 8.266 0.112 19538 83 1 1 . 1 1 20 20 LYS N N 20 114.076 114.076 113.605 0.471 19538 84 1 1 . 1 1 20 20 LYS HA H 20 4.243 4.243 4.409 -0.166 19538 85 1 1 . 1 1 20 20 LYS CA C 20 55.725 55.725 54.820 0.905 19538 86 1 1 . 1 1 20 20 LYS CB C 20 33.032 33.032 32.799 0.233 19538 87 1 1 . 1 1 20 20 LYS H H 20 7.072 7.072 7.732 -0.660 19538 88 1 1 . 1 1 21 21 ASN N N 21 121.025 121.025 120.918 0.107 19538 89 1 1 . 1 1 21 21 ASN HA H 21 4.555 4.555 4.503 0.052 19538 90 1 1 . 1 1 21 21 ASN CA C 21 53.766 53.766 53.038 0.728 19538 91 1 1 . 1 1 21 21 ASN CB C 21 39.835 39.835 39.190 0.645 19538 92 1 1 . 1 1 21 21 ASN H H 21 7.230 7.230 7.897 -0.667 19538 93 1 1 . 1 1 22 22 LYS N N 22 128.112 128.112 127.460 0.652 19538 94 1 1 . 1 1 22 22 LYS HA H 22 3.698 3.698 3.924 -0.226 19538 95 1 1 . 1 1 22 22 LYS CA C 22 59.519 59.519 59.576 -0.057 19538 96 1 1 . 1 1 22 22 LYS CB C 22 32.140 32.140 31.530 0.610 19538 97 1 1 . 1 1 22 22 LYS H H 22 8.846 8.846 8.779 0.067 19538 98 1 1 . 1 1 23 23 ASP N N 23 120.250 120.250 120.763 -0.513 19538 99 1 1 . 1 1 23 23 ASP HA H 23 4.297 4.297 4.335 -0.038 19538 100 1 1 . 1 1 23 23 ASP CA C 23 56.787 56.787 57.028 -0.241 19538 101 1 1 . 1 1 23 23 ASP CB C 23 39.444 39.444 39.791 -0.347 19538 102 1 1 . 1 1 23 23 ASP H H 23 7.731 7.731 8.685 -0.954 19538 103 1 1 . 1 1 24 24 ILE N N 24 121.988 121.988 120.814 1.174 19538 104 1 1 . 1 1 24 24 ILE HA H 24 3.219 3.219 3.371 -0.152 19538 105 1 1 . 1 1 24 24 ILE CA C 24 63.375 63.375 65.305 -1.930 19538 106 1 1 . 1 1 24 24 ILE CB C 24 35.424 35.424 37.741 -2.317 19538 107 1 1 . 1 1 24 24 ILE H H 24 8.431 8.431 7.532 0.899 19538 108 1 1 . 1 1 25 25 ARG N N 25 118.181 118.181 120.323 -2.142 19538 109 1 1 . 1 1 25 25 ARG HA H 25 3.810 3.810 3.831 -0.021 19538 110 1 1 . 1 1 25 25 ARG CA C 25 60.546 60.546 60.588 -0.042 19538 111 1 1 . 1 1 25 25 ARG CB C 25 30.205 30.205 29.961 0.244 19538 112 1 1 . 1 1 25 25 ARG H H 25 8.206 8.206 8.883 -0.677 19538 113 1 1 . 1 1 26 26 SER N N 26 112.549 112.549 116.360 -3.811 19538 114 1 1 . 1 1 26 26 SER HA H 26 4.373 4.373 4.174 0.199 19538 115 1 1 . 1 1 26 26 SER CA C 26 61.040 61.040 62.217 -1.177 19538 116 1 1 . 1 1 26 26 SER CB C 26 62.096 62.096 62.707 -0.611 19538 117 1 1 . 1 1 26 26 SER H H 26 7.518 7.518 8.316 -0.798 19538 118 1 1 . 1 1 27 27 LEU N N 27 125.275 125.275 121.961 3.314 19538 119 1 1 . 1 1 27 27 LEU HA H 27 4.013 4.013 4.029 -0.016 19538 120 1 1 . 1 1 27 27 LEU CA C 27 57.652 57.652 57.748 -0.096 19538 121 1 1 . 1 1 27 27 LEU CB C 27 42.548 42.548 42.066 0.483 19538 122 1 1 . 1 1 27 27 LEU H H 27 8.050 8.050 7.703 0.347 19538 123 1 1 . 1 1 28 28 LEU N N 28 114.725 114.725 114.409 0.316 19538 124 1 1 . 1 1 28 28 LEU HA H 28 3.863 3.863 4.259 -0.396 19538 125 1 1 . 1 1 28 28 LEU CA C 28 54.299 54.299 54.572 -0.273 19538 126 1 1 . 1 1 28 28 LEU CB C 28 42.874 42.874 41.766 1.108 19538 127 1 1 . 1 1 28 28 LEU H H 28 8.010 8.010 8.547 -0.537 19538 128 1 1 . 1 1 29 29 GLN N N 29 116.444 116.444 113.956 2.488 19538 129 1 1 . 1 1 29 29 GLN HA H 29 3.854 3.854 3.898 -0.044 19538 130 1 1 . 1 1 29 29 GLN CA C 29 55.652 55.652 56.715 -1.063 19538 131 1 1 . 1 1 29 29 GLN CB C 29 25.300 25.300 25.549 -0.249 19538 132 1 1 . 1 1 29 29 GLN H H 29 7.972 7.972 7.722 0.250 19538 133 1 1 . 1 1 30 30 CYS N N 30 116.363 116.363 120.188 -3.825 19538 134 1 1 . 1 1 30 30 CYS HA H 30 4.133 4.133 4.207 -0.074 19538 135 1 1 . 1 1 30 30 CYS CA C 30 61.559 61.559 59.772 1.787 19538 136 1 1 . 1 1 30 30 CYS CB C 30 27.701 27.701 25.678 2.023 19538 137 1 1 . 1 1 30 30 CYS H H 30 7.847 7.847 8.722 -0.875 19538 138 1 1 . 1 1 31 31 ASP N N 31 125.091 125.091 125.211 -0.120 19538 139 1 1 . 1 1 31 31 ASP HA H 31 4.598 4.598 4.733 -0.135 19538 140 1 1 . 1 1 31 31 ASP CA C 31 52.428 52.428 52.654 -0.226 19538 141 1 1 . 1 1 31 31 ASP CB C 31 39.156 39.156 41.224 -2.068 19538 142 1 1 . 1 1 31 31 ASP H H 31 9.918 9.918 8.614 1.304 19538 143 1 1 . 1 1 32 32 ASP N N 32 124.593 124.593 125.834 -1.241 19538 144 1 1 . 1 1 32 32 ASP HA H 32 5.131 5.131 4.474 0.657 19538 145 1 1 . 1 1 32 32 ASP CA C 32 52.190 52.190 55.820 -3.630 19538 146 1 1 . 1 1 32 32 ASP CB C 32 41.542 41.542 41.126 0.416 19538 147 1 1 . 1 1 32 32 ASP H H 32 7.532 7.532 8.073 -0.541 19538 148 1 1 . 1 1 33 33 GLY N N 33 109.888 109.888 113.763 -3.875 19538 149 1 1 . 1 1 33 33 GLY CA C 33 44.840 44.840 45.555 -0.715 19538 150 1 1 . 1 1 33 33 GLY H H 33 7.912 7.912 9.062 -1.150 19538 151 1 1 . 1 1 34 34 ILE HA H 34 3.978 3.978 3.997 -0.019 19538 152 1 1 . 1 1 34 34 ILE CA C 34 63.210 63.210 63.224 -0.014 19538 153 1 1 . 1 1 34 34 ILE CB C 34 38.027 38.027 39.029 -1.002 19538 154 1 1 . 1 1 35 35 THR N N 35 109.823 109.823 113.324 -3.501 19538 155 1 1 . 1 1 35 35 THR HA H 35 4.291 4.291 4.431 -0.140 19538 156 1 1 . 1 1 35 35 THR CA C 35 61.511 61.511 60.911 0.600 19538 157 1 1 . 1 1 35 35 THR CB C 35 68.374 68.374 67.727 0.647 19538 158 1 1 . 1 1 35 35 THR H H 35 7.995 7.995 7.960 0.035 19538 159 1 1 . 1 1 36 36 GLY N N 36 109.916 109.916 111.963 -2.047 19538 160 1 1 . 1 1 36 36 GLY CA C 36 44.282 44.282 44.924 -0.642 19538 161 1 1 . 1 1 36 36 GLY H H 36 7.564 7.564 7.634 -0.070 19538 162 1 1 . 1 1 37 37 LYS N N 37 119.833 119.833 122.748 -2.915 19538 163 1 1 . 1 1 37 37 LYS HA H 37 4.442 4.442 4.819 -0.377 19538 164 1 1 . 1 1 37 37 LYS CA C 37 54.520 54.520 55.482 -0.962 19538 165 1 1 . 1 1 37 37 LYS CB C 37 33.208 33.208 33.522 -0.314 19538 166 1 1 . 1 1 37 37 LYS H H 37 8.236 8.236 8.373 -0.137 19538 167 1 1 . 1 1 38 38 GLU N N 38 125.697 125.697 123.015 2.682 19538 168 1 1 . 1 1 38 38 GLU HA H 38 3.907 3.907 4.377 -0.470 19538 169 1 1 . 1 1 38 38 GLU CA C 38 56.731 56.731 56.083 0.648 19538 170 1 1 . 1 1 38 38 GLU CB C 38 29.779 29.779 31.670 -1.891 19538 171 1 1 . 1 1 38 38 GLU H H 38 8.175 8.175 8.737 -0.562 19538 172 1 1 . 1 1 39 39 ARG N N 39 128.738 128.738 120.715 8.023 19538 173 1 1 . 1 1 39 39 ARG HA H 39 4.260 4.260 4.602 -0.342 19538 174 1 1 . 1 1 39 39 ARG CA C 39 55.343 55.343 55.368 -0.025 19538 175 1 1 . 1 1 39 39 ARG CB C 39 29.529 29.529 30.865 -1.336 19538 176 1 1 . 1 1 39 39 ARG H H 39 8.920 8.920 8.608 0.312 19538 177 1 1 . 1 1 40 40 LEU N N 40 127.659 127.659 124.570 3.089 19538 178 1 1 . 1 1 40 40 LEU HA H 40 4.488 4.488 5.157 -0.669 19538 179 1 1 . 1 1 40 40 LEU CA C 40 53.848 53.848 54.325 -0.477 19538 180 1 1 . 1 1 40 40 LEU CB C 40 42.333 42.333 43.748 -1.415 19538 181 1 1 . 1 1 40 40 LEU H H 40 8.670 8.670 8.491 0.179 19538 182 1 1 . 1 1 41 41 LYS N N 41 121.136 121.136 120.927 0.209 19538 183 1 1 . 1 1 41 41 LYS HA H 41 4.647 4.647 4.740 -0.093 19538 184 1 1 . 1 1 41 41 LYS CA C 41 55.062 55.062 54.916 0.146 19538 185 1 1 . 1 1 41 41 LYS CB C 41 35.064 35.064 37.222 -2.158 19538 186 1 1 . 1 1 41 41 LYS H H 41 8.273 8.273 8.683 -0.410 19538 187 1 1 . 1 1 42 42 ALA N N 42 123.758 123.758 124.342 -0.584 19538 188 1 1 . 1 1 42 42 ALA HA H 42 5.605 5.605 5.256 0.349 19538 189 1 1 . 1 1 42 42 ALA CA C 42 50.529 50.529 51.162 -0.633 19538 190 1 1 . 1 1 42 42 ALA CB C 42 22.577 22.577 21.867 0.710 19538 191 1 1 . 1 1 42 42 ALA H H 42 8.488 8.488 8.633 -0.145 19538 192 1 1 . 1 1 43 43 TYR N N 43 116.716 116.716 119.631 -2.915 19538 193 1 1 . 1 1 43 43 TYR HA H 43 4.758 4.758 4.802 -0.044 19538 194 1 1 . 1 1 43 43 TYR CA C 43 55.975 55.975 56.285 -0.311 19538 195 1 1 . 1 1 43 43 TYR CB C 43 38.409 38.409 39.445 -1.036 19538 196 1 1 . 1 1 43 43 TYR H H 43 8.123 8.123 9.228 -1.105 19538 197 1 1 . 1 1 44 44 GLY N N 44 106.591 106.591 106.655 -0.064 19538 198 1 1 . 1 1 44 44 GLY CA C 44 45.172 45.172 44.477 0.695 19538 199 1 1 . 1 1 44 44 GLY H H 44 8.663 8.663 8.540 0.123 19538 200 1 1 . 1 1 45 45 GLU N N 45 118.850 118.850 120.568 -1.718 19538 201 1 1 . 1 1 45 45 GLU HA H 45 4.310 4.310 3.909 0.401 19538 202 1 1 . 1 1 45 45 GLU CA C 45 56.286 56.286 58.424 -2.138 19538 203 1 1 . 1 1 45 45 GLU CB C 45 31.304 31.304 29.564 1.740 19538 204 1 1 . 1 1 45 45 GLU H H 45 8.287 8.287 8.117 0.170 19538 205 1 1 . 1 1 46 46 LEU N N 46 124.692 124.692 122.437 2.255 19538 206 1 1 . 1 1 46 46 LEU HA H 46 4.361 4.361 4.199 0.162 19538 207 1 1 . 1 1 46 46 LEU CA C 46 54.967 54.967 57.176 -2.209 19538 208 1 1 . 1 1 46 46 LEU CB C 46 41.980 41.980 42.086 -0.106 19538 209 1 1 . 1 1 46 46 LEU H H 46 9.010 9.010 8.073 0.937 19538 210 1 1 . 1 1 47 47 ILE N N 47 123.302 123.302 112.464 10.838 19538 211 1 1 . 1 1 47 47 ILE HA H 47 4.272 4.272 4.268 0.004 19538 212 1 1 . 1 1 47 47 ILE CA C 47 60.399 60.399 60.832 -0.433 19538 213 1 1 . 1 1 47 47 ILE CB C 47 38.676 38.676 37.605 1.071 19538 214 1 1 . 1 1 47 47 ILE H H 47 8.407 8.407 7.678 0.729 19538 215 1 1 . 1 1 48 48 THR N N 48 117.749 117.749 114.762 2.987 19538 216 1 1 . 1 1 48 48 THR HA H 48 4.330 4.330 3.833 0.497 19538 217 1 1 . 1 1 48 48 THR CA C 48 61.234 61.234 64.805 -3.571 19538 218 1 1 . 1 1 48 48 THR CB C 48 69.327 69.327 68.880 0.447 19538 219 1 1 . 1 1 48 48 THR H H 48 8.183 8.183 8.358 -0.175 19538 220 1 1 . 1 1 49 49 ASN N N 49 120.102 120.102 117.451 2.651 19538 221 1 1 . 1 1 49 49 ASN HA H 49 4.585 4.585 4.730 -0.145 19538 222 1 1 . 1 1 49 49 ASN CA C 49 53.193 53.193 54.232 -1.039 19538 223 1 1 . 1 1 49 49 ASN CB C 49 38.261 38.261 39.273 -1.012 19538 224 1 1 . 1 1 49 49 ASN H H 49 8.418 8.418 8.129 0.289 19538 225 1 1 . 1 1 50 50 ASP N N 50 119.783 119.783 120.537 -0.754 19538 226 1 1 . 1 1 50 50 ASP HA H 50 4.454 4.454 4.614 -0.160 19538 227 1 1 . 1 1 50 50 ASP CA C 50 53.950 53.950 55.799 -1.849 19538 228 1 1 . 1 1 50 50 ASP CB C 50 41.231 41.231 41.237 -0.006 19538 229 1 1 . 1 1 50 50 ASP H H 50 8.096 8.096 8.569 -0.473 19538 230 1 1 . 1 1 51 51 LYS N N 51 120.547 120.547 119.995 0.552 19538 231 1 1 . 1 1 51 51 LYS HA H 51 4.017 4.017 4.603 -0.586 19538 232 1 1 . 1 1 51 51 LYS CA C 51 56.633 56.633 57.254 -0.621 19538 233 1 1 . 1 1 51 51 LYS CB C 51 32.052 32.052 33.800 -1.748 19538 234 1 1 . 1 1 51 51 LYS H H 51 8.173 8.173 8.217 -0.044 19538 235 1 1 . 1 1 52 52 TRP N N 52 120.062 120.062 120.911 -0.849 19538 236 1 1 . 1 1 52 52 TRP HA H 52 4.617 4.617 4.842 -0.225 19538 237 1 1 . 1 1 52 52 TRP CA C 52 57.045 57.045 59.733 -2.688 19538 238 1 1 . 1 1 52 52 TRP CB C 52 29.251 29.251 30.516 -1.265 19538 239 1 1 . 1 1 52 52 TRP H H 52 8.094 8.094 8.499 -0.405 19538 240 1 1 . 1 1 53 53 THR N N 53 115.770 115.770 110.170 5.600 19538 241 1 1 . 1 1 53 53 THR HA H 53 4.262 4.262 4.358 -0.096 19538 242 1 1 . 1 1 53 53 THR CA C 53 61.625 61.625 62.186 -0.561 19538 243 1 1 . 1 1 53 53 THR CB C 53 69.153 69.153 68.231 0.922 19538 244 1 1 . 1 1 53 53 THR H H 53 7.789 7.789 7.881 -0.092 19538 245 1 1 . 1 1 54 54 ARG N N 54 122.136 122.136 121.292 0.844 19538 246 1 1 . 1 1 54 54 ARG HA H 54 4.133 4.133 4.013 0.120 19538 247 1 1 . 1 1 54 54 ARG CA C 54 56.038 56.038 58.505 -2.466 19538 248 1 1 . 1 1 54 54 ARG CB C 54 30.441 30.441 29.121 1.320 19538 249 1 1 . 1 1 54 54 ARG H H 54 8.191 8.191 8.367 -0.176 19538 250 1 1 . 1 1 55 55 ASN N N 55 117.842 117.842 117.347 0.495 19538 251 1 1 . 1 1 55 55 ASN HA H 55 4.713 4.713 4.688 0.025 19538 252 1 1 . 1 1 55 55 ASN CA C 55 52.873 52.873 53.346 -0.473 19538 253 1 1 . 1 1 55 55 ASN CB C 55 38.769 38.769 41.127 -2.358 19538 254 1 1 . 1 1 55 55 ASN H H 55 8.205 8.205 8.401 -0.196 19538 255 1 1 . 1 1 56 56 ARG N N 56 121.615 121.615 119.941 1.674 19538 256 1 1 . 1 1 56 56 ARG HA H 56 4.542 4.542 4.778 -0.236 19538 257 1 1 . 1 1 56 56 ARG CA C 56 53.765 53.765 52.396 1.369 19538 258 1 1 . 1 1 56 56 ARG CB C 56 30.009 30.009 30.013 -0.004 19538 259 1 1 . 1 1 56 56 ARG H H 56 8.246 8.246 8.423 -0.177 19538 260 1 1 . 1 1 57 57 PRO HA H 57 4.273 4.273 4.407 -0.134 19538 261 1 1 . 1 1 57 57 PRO CA C 57 62.424 62.424 61.107 1.317 19538 262 1 1 . 1 1 57 57 PRO CB C 57 31.987 31.987 32.278 -0.291 19538 263 1 1 . 1 1 58 58 ILE N N 58 122.700 122.700 120.301 2.399 19538 264 1 1 . 1 1 58 58 ILE HA H 58 4.089 4.089 4.079 0.010 19538 265 1 1 . 1 1 58 58 ILE CA C 58 60.655 60.655 62.194 -1.539 19538 266 1 1 . 1 1 58 58 ILE CB C 58 37.111 37.111 35.685 1.426 19538 267 1 1 . 1 1 58 58 ILE H H 58 8.098 8.098 8.187 -0.089 19538 268 1 1 . 1 1 59 59 VAL N N 59 124.097 124.097 117.062 7.035 19538 269 1 1 . 1 1 59 59 VAL HA H 59 4.549 4.549 4.905 -0.356 19538 270 1 1 . 1 1 59 59 VAL CA C 59 59.613 59.613 58.884 0.729 19538 271 1 1 . 1 1 59 59 VAL CB C 59 34.980 34.980 35.665 -0.685 19538 272 1 1 . 1 1 59 59 VAL H H 59 8.167 8.167 8.274 -0.107 19538 273 1 1 . 1 1 60 60 SER N N 60 119.752 119.752 116.882 2.870 19538 274 1 1 . 1 1 60 60 SER HA H 60 5.136 5.136 5.390 -0.254 19538 275 1 1 . 1 1 60 60 SER CA C 60 56.467 56.467 56.556 -0.089 19538 276 1 1 . 1 1 60 60 SER CB C 60 64.890 64.890 64.871 0.019 19538 277 1 1 . 1 1 60 60 SER H H 60 8.592 8.592 8.697 -0.105 19538 278 1 1 . 1 1 61 61 THR N N 61 117.559 117.559 117.835 -0.276 19538 279 1 1 . 1 1 61 61 THR HA H 61 4.576 4.576 4.180 0.396 19538 280 1 1 . 1 1 61 61 THR CA C 61 61.348 61.348 62.287 -0.939 19538 281 1 1 . 1 1 61 61 THR CB C 61 70.276 70.276 68.990 1.286 19538 282 1 1 . 1 1 61 61 THR H H 61 9.214 9.214 9.109 0.105 19538 283 1 1 . 1 1 62 62 LYS N N 62 123.743 123.743 126.753 -3.010 19538 284 1 1 . 1 1 62 62 LYS HA H 62 5.507 5.507 4.234 1.273 19538 285 1 1 . 1 1 62 62 LYS CA C 62 54.843 54.843 56.260 -1.417 19538 286 1 1 . 1 1 62 62 LYS CB C 62 35.211 35.211 31.978 3.233 19538 287 1 1 . 1 1 62 62 LYS H H 62 8.687 8.687 8.196 0.491 19538 288 1 1 . 1 1 63 63 LYS N N 63 121.218 121.218 125.180 -3.962 19538 289 1 1 . 1 1 63 63 LYS HA H 63 4.595 4.595 4.570 0.025 19538 290 1 1 . 1 1 63 63 LYS CA C 63 54.760 54.760 54.891 -0.131 19538 291 1 1 . 1 1 63 63 LYS CB C 63 36.712 36.712 35.169 1.543 19538 292 1 1 . 1 1 63 63 LYS H H 63 8.797 8.797 8.372 0.425 19538 293 1 1 . 1 1 64 64 LEU N N 64 124.605 124.605 127.928 -3.323 19538 294 1 1 . 1 1 64 64 LEU HA H 64 4.920 4.920 4.564 0.356 19538 295 1 1 . 1 1 64 64 LEU CA C 64 53.797 53.797 53.356 0.441 19538 296 1 1 . 1 1 64 64 LEU CB C 64 43.553 43.553 40.857 2.696 19538 297 1 1 . 1 1 64 64 LEU H H 64 8.604 8.604 8.757 -0.153 19538 298 1 1 . 1 1 65 65 ASP N N 65 122.577 122.577 125.115 -2.538 19538 299 1 1 . 1 1 65 65 ASP HA H 65 4.664 4.664 4.852 -0.188 19538 300 1 1 . 1 1 65 65 ASP CA C 65 51.824 51.824 53.607 -1.783 19538 301 1 1 . 1 1 65 65 ASP CB C 65 41.277 41.277 42.774 -1.497 19538 302 1 1 . 1 1 65 65 ASP H H 65 8.455 8.455 7.739 0.716 19538 303 1 1 . 1 1 66 66 LYS N N 66 117.718 117.718 120.942 -3.224 19538 304 1 1 . 1 1 66 66 LYS HA H 66 4.052 4.052 4.017 0.035 19538 305 1 1 . 1 1 66 66 LYS CA C 66 58.116 58.116 58.973 -0.857 19538 306 1 1 . 1 1 66 66 LYS CB C 66 31.677 31.677 31.691 -0.014 19538 307 1 1 . 1 1 66 66 LYS H H 66 8.339 8.339 8.691 -0.352 19538 308 1 1 . 1 1 67 67 GLU N N 67 118.253 118.253 118.276 -0.023 19538 309 1 1 . 1 1 67 67 GLU HA H 67 4.323 4.323 4.208 0.115 19538 310 1 1 . 1 1 67 67 GLU CA C 67 56.018 56.018 56.518 -0.500 19538 311 1 1 . 1 1 67 67 GLU CB C 67 29.587 29.587 29.091 0.496 19538 312 1 1 . 1 1 67 67 GLU H H 67 8.096 8.096 8.093 0.003 19538 313 1 1 . 1 1 68 68 GLY N N 68 107.960 107.960 107.263 0.697 19538 314 1 1 . 1 1 68 68 GLY CA C 68 45.213 45.213 45.347 -0.134 19538 315 1 1 . 1 1 68 68 GLY H H 68 8.168 8.168 8.543 -0.375 19538 316 1 1 . 1 1 69 69 ARG N N 69 121.436 121.436 119.287 2.149 19538 317 1 1 . 1 1 69 69 ARG HA H 69 4.482 4.482 4.929 -0.447 19538 318 1 1 . 1 1 69 69 ARG CA C 69 54.229 54.229 53.154 1.075 19538 319 1 1 . 1 1 69 69 ARG CB C 69 30.399 30.399 32.225 -1.827 19538 320 1 1 . 1 1 69 69 ARG H H 69 8.590 8.590 7.536 1.054 19538 321 1 1 . 1 1 70 70 THR N N 70 120.709 120.709 121.054 -0.345 19538 322 1 1 . 1 1 70 70 THR HA H 70 4.298 4.298 4.563 -0.265 19538 323 1 1 . 1 1 70 70 THR CA C 70 64.365 64.365 63.450 0.914 19538 324 1 1 . 1 1 70 70 THR CB C 70 68.832 68.832 68.850 -0.018 19538 325 1 1 . 1 1 70 70 THR H H 70 8.822 8.822 8.447 0.375 19538 326 1 1 . 1 1 71 71 HIS N N 71 127.496 127.496 127.618 -0.122 19538 327 1 1 . 1 1 71 71 HIS HA H 71 5.138 5.138 4.821 0.317 19538 328 1 1 . 1 1 71 71 HIS CA C 71 53.948 53.948 55.383 -1.435 19538 329 1 1 . 1 1 71 71 HIS CB C 71 31.791 31.791 31.735 0.056 19538 330 1 1 . 1 1 71 71 HIS H H 71 9.384 9.384 9.676 -0.292 19538 331 1 1 . 1 1 72 72 HIS N N 72 121.684 121.684 127.526 -5.842 19538 332 1 1 . 1 1 72 72 HIS HA H 72 5.094 5.094 4.938 0.156 19538 333 1 1 . 1 1 72 72 HIS CA C 72 54.390 54.390 55.383 -0.993 19538 334 1 1 . 1 1 72 72 HIS CB C 72 33.961 33.961 30.724 3.237 19538 335 1 1 . 1 1 72 72 HIS H H 72 9.076 9.076 9.559 -0.483 19538 336 1 1 . 1 1 73 73 TYR N N 73 121.287 121.287 126.055 -4.768 19538 337 1 1 . 1 1 73 73 TYR HA H 73 5.305 5.305 5.096 0.209 19538 338 1 1 . 1 1 73 73 TYR CA C 73 56.017 56.017 57.567 -1.550 19538 339 1 1 . 1 1 73 73 TYR CB C 73 39.479 39.479 38.732 0.747 19538 340 1 1 . 1 1 73 73 TYR H H 73 9.305 9.305 9.103 0.202 19538 341 1 1 . 1 1 74 74 MET N N 74 124.078 124.078 124.908 -0.830 19538 342 1 1 . 1 1 74 74 MET HA H 74 4.867 4.867 5.749 -0.882 19538 343 1 1 . 1 1 74 74 MET CA C 74 54.701 54.701 54.380 0.320 19538 344 1 1 . 1 1 74 74 MET CB C 74 38.007 38.007 37.179 0.828 19538 345 1 1 . 1 1 74 74 MET H H 74 8.761 8.761 9.556 -0.795 19538 346 1 1 . 1 1 75 75 ARG N N 75 123.962 123.962 125.356 -1.394 19538 347 1 1 . 1 1 75 75 ARG HA H 75 5.471 5.471 5.627 -0.156 19538 348 1 1 . 1 1 75 75 ARG CA C 75 53.340 53.340 54.329 -0.989 19538 349 1 1 . 1 1 75 75 ARG CB C 75 34.441 34.441 33.769 0.672 19538 350 1 1 . 1 1 75 75 ARG H H 75 8.427 8.427 8.597 -0.170 19538 351 1 1 . 1 1 76 76 PHE N N 76 114.935 114.935 116.838 -1.903 19538 352 1 1 . 1 1 76 76 PHE HA H 76 4.621 4.621 5.070 -0.449 19538 353 1 1 . 1 1 76 76 PHE CA C 76 55.856 55.856 56.115 -0.259 19538 354 1 1 . 1 1 76 76 PHE CB C 76 39.167 39.167 41.517 -2.350 19538 355 1 1 . 1 1 76 76 PHE H H 76 8.296 8.296 8.744 -0.448 19538 356 1 1 . 1 1 77 77 HIS N N 77 117.830 117.830 118.665 -0.835 19538 357 1 1 . 1 1 77 77 HIS HA H 77 5.451 5.451 5.585 -0.134 19538 358 1 1 . 1 1 77 77 HIS CA C 77 54.767 54.767 55.583 -0.816 19538 359 1 1 . 1 1 77 77 HIS CB C 77 31.102 31.102 32.765 -1.663 19538 360 1 1 . 1 1 77 77 HIS H H 77 9.190 9.190 9.594 -0.404 19538 361 1 1 . 1 1 78 78 VAL N N 78 114.372 114.372 117.626 -3.254 19538 362 1 1 . 1 1 78 78 VAL HA H 78 5.110 5.110 5.033 0.077 19538 363 1 1 . 1 1 78 78 VAL CA C 78 59.653 59.653 59.321 0.332 19538 364 1 1 . 1 1 78 78 VAL CB C 78 35.073 35.073 36.009 -0.936 19538 365 1 1 . 1 1 78 78 VAL H H 78 7.860 7.860 9.393 -1.533 19538 366 1 1 . 1 1 79 79 GLU N N 79 126.076 126.076 123.548 2.528 19538 367 1 1 . 1 1 79 79 GLU HA H 79 5.400 5.400 4.850 0.550 19538 368 1 1 . 1 1 79 79 GLU CA C 79 54.316 54.316 55.323 -1.007 19538 369 1 1 . 1 1 79 79 GLU CB C 79 34.060 34.060 31.540 2.520 19538 370 1 1 . 1 1 79 79 GLU H H 79 9.213 9.213 9.283 -0.070 19538 371 1 1 . 1 1 80 80 SER N N 80 124.627 124.627 123.919 0.708 19538 372 1 1 . 1 1 80 80 SER HA H 80 4.892 4.892 4.518 0.374 19538 373 1 1 . 1 1 80 80 SER CA C 80 54.930 54.930 57.788 -2.858 19538 374 1 1 . 1 1 80 80 SER CB C 80 67.503 67.503 63.552 3.951 19538 375 1 1 . 1 1 80 80 SER H H 80 9.464 9.464 9.396 0.068 19538 376 1 1 . 1 1 81 81 LYS N N 81 119.240 119.240 119.388 -0.148 19538 377 1 1 . 1 1 81 81 LYS HA H 81 4.000 4.000 4.163 -0.163 19538 378 1 1 . 1 1 81 81 LYS CA C 81 59.099 59.099 58.368 0.731 19538 379 1 1 . 1 1 81 81 LYS CB C 81 31.721 31.721 32.641 -0.920 19538 380 1 1 . 1 1 81 81 LYS H H 81 10.052 10.052 8.288 1.764 19538 381 1 1 . 1 1 82 82 LYS N N 82 114.688 114.688 113.661 1.027 19538 382 1 1 . 1 1 82 82 LYS HA H 82 4.365 4.365 4.465 -0.100 19538 383 1 1 . 1 1 82 82 LYS CA C 82 56.211 56.211 55.557 0.654 19538 384 1 1 . 1 1 82 82 LYS CB C 82 36.484 36.484 34.355 2.129 19538 385 1 1 . 1 1 82 82 LYS H H 82 7.782 7.782 7.688 0.094 19538 386 1 1 . 1 1 83 83 LYS N N 83 118.992 118.992 119.173 -0.181 19538 387 1 1 . 1 1 83 83 LYS HA H 83 4.749 4.749 4.671 0.078 19538 388 1 1 . 1 1 83 83 LYS CA C 83 53.590 53.590 54.633 -1.043 19538 389 1 1 . 1 1 83 83 LYS CB C 83 39.218 39.218 36.377 2.841 19538 390 1 1 . 1 1 83 83 LYS H H 83 7.962 7.962 7.822 0.140 19538 391 1 1 . 1 1 84 84 ILE N N 84 118.513 118.513 120.988 -2.475 19538 392 1 1 . 1 1 84 84 ILE HA H 84 4.556 4.556 4.769 -0.213 19538 393 1 1 . 1 1 84 84 ILE CA C 84 60.643 60.643 60.623 0.020 19538 394 1 1 . 1 1 84 84 ILE CB C 84 39.946 39.946 39.041 0.904 19538 395 1 1 . 1 1 84 84 ILE H H 84 7.927 7.927 8.585 -0.658 19538 396 1 1 . 1 1 85 85 ALA N N 85 127.327 127.327 129.821 -2.494 19538 397 1 1 . 1 1 85 85 ALA HA H 85 5.048 5.048 5.158 -0.110 19538 398 1 1 . 1 1 85 85 ALA CA C 85 49.316 49.316 49.646 -0.330 19538 399 1 1 . 1 1 85 85 ALA CB C 85 24.205 24.205 22.996 1.209 19538 400 1 1 . 1 1 85 85 ALA H H 85 9.211 9.211 9.275 -0.064 19538 401 1 1 . 1 1 86 86 LEU N N 86 122.978 122.978 122.291 0.687 19538 402 1 1 . 1 1 86 86 LEU HA H 86 4.554 4.554 4.796 -0.242 19538 403 1 1 . 1 1 86 86 LEU CA C 86 53.671 53.671 52.967 0.704 19538 404 1 1 . 1 1 86 86 LEU CB C 86 44.396 44.396 45.473 -1.077 19538 405 1 1 . 1 1 86 86 LEU H H 86 8.312 8.312 9.191 -0.879 19538 406 1 1 . 1 1 87 87 VAL N N 87 127.511 127.511 125.929 1.582 19538 407 1 1 . 1 1 87 87 VAL HA H 87 4.244 4.244 4.381 -0.137 19538 408 1 1 . 1 1 87 87 VAL CA C 87 60.226 60.226 60.541 -0.315 19538 409 1 1 . 1 1 87 87 VAL CB C 87 31.609 31.609 32.968 -1.359 19538 410 1 1 . 1 1 87 87 VAL H H 87 9.017 9.017 8.885 0.132 19538 411 1 1 . 1 1 88 88 HIS N N 88 124.227 124.227 127.061 -2.834 19538 412 1 1 . 1 1 88 88 HIS HA H 88 4.687 4.687 5.065 -0.378 19538 413 1 1 . 1 1 88 88 HIS CA C 88 54.314 54.314 52.815 1.499 19538 414 1 1 . 1 1 88 88 HIS CB C 88 33.245 33.245 32.542 0.703 19538 415 1 1 . 1 1 88 88 HIS H H 88 8.104 8.104 8.811 -0.707 19538 416 1 1 . 1 1 89 89 LEU N N 89 121.992 121.992 128.230 -6.238 19538 417 1 1 . 1 1 89 89 LEU HA H 89 5.050 5.050 4.859 0.191 19538 418 1 1 . 1 1 89 89 LEU CA C 89 52.983 52.983 53.547 -0.564 19538 419 1 1 . 1 1 89 89 LEU CB C 89 46.355 46.355 46.322 0.033 19538 420 1 1 . 1 1 89 89 LEU H H 89 8.600 8.600 9.595 -0.995 19538 421 1 1 . 1 1 90 90 GLU N N 90 121.551 121.551 126.415 -4.864 19538 422 1 1 . 1 1 90 90 GLU HA H 90 5.253 5.253 5.519 -0.266 19538 423 1 1 . 1 1 90 90 GLU CA C 90 53.422 53.422 54.761 -1.339 19538 424 1 1 . 1 1 90 90 GLU CB C 90 33.238 33.238 32.367 0.871 19538 425 1 1 . 1 1 90 90 GLU H H 90 8.816 8.816 9.379 -0.563 19538 426 1 1 . 1 1 91 91 ALA N N 91 128.266 128.266 128.521 -0.255 19538 427 1 1 . 1 1 91 91 ALA HA H 91 5.385 5.385 5.528 -0.143 19538 428 1 1 . 1 1 91 91 ALA CA C 91 49.164 49.164 49.796 -0.632 19538 429 1 1 . 1 1 91 91 ALA CB C 91 23.227 23.227 23.277 -0.050 19538 430 1 1 . 1 1 91 91 ALA H H 91 9.287 9.287 9.315 -0.028 19538 431 1 1 . 1 1 92 92 LYS N N 92 121.573 121.573 118.590 2.983 19538 432 1 1 . 1 1 92 92 LYS HA H 92 4.884 4.884 5.430 -0.546 19538 433 1 1 . 1 1 92 92 LYS CA C 92 54.365 54.365 54.156 0.209 19538 434 1 1 . 1 1 92 92 LYS CB C 92 36.427 36.427 36.029 0.398 19538 435 1 1 . 1 1 92 92 LYS H H 92 9.160 9.160 9.045 0.115 19538 436 1 1 . 1 1 93 93 GLU N N 93 127.022 127.022 125.473 1.549 19538 437 1 1 . 1 1 93 93 GLU HA H 93 4.145 4.145 4.326 -0.181 19538 438 1 1 . 1 1 93 93 GLU CA C 93 56.227 56.227 56.258 -0.031 19538 439 1 1 . 1 1 93 93 GLU CB C 93 30.986 30.986 30.503 0.483 19538 440 1 1 . 1 1 93 93 GLU H H 93 8.525 8.525 9.161 -0.636 19538 441 1 1 . 1 1 94 94 SER N N 94 120.676 120.676 120.729 -0.053 19538 442 1 1 . 1 1 94 94 SER HA H 94 4.416 4.416 4.135 0.281 19538 443 1 1 . 1 1 94 94 SER CA C 94 57.241 57.241 61.986 -4.745 19538 444 1 1 . 1 1 94 94 SER CB C 94 63.634 63.634 63.569 0.064 19538 445 1 1 . 1 1 94 94 SER H H 94 8.877 8.877 8.679 0.198 19538 446 1 1 . 1 1 95 95 LYS HA H 95 4.212 4.212 4.438 -0.226 19538 447 1 1 . 1 1 95 95 LYS CA C 95 56.036 56.036 57.530 -1.494 19538 448 1 1 . 1 1 95 95 LYS CB C 95 33.113 33.113 32.707 0.406 19538 449 1 1 . 1 1 96 96 GLN N N 96 118.641 118.641 118.240 0.401 19538 450 1 1 . 1 1 96 96 GLN HA H 96 4.140 4.140 4.382 -0.242 19538 451 1 1 . 1 1 96 96 GLN CA C 96 56.338 56.338 55.268 1.070 19538 452 1 1 . 1 1 96 96 GLN CB C 96 28.958 28.958 29.141 -0.183 19538 453 1 1 . 1 1 96 96 GLN H H 96 8.335 8.335 8.174 0.161 19538 454 1 1 . 1 1 97 97 ASN N N 97 116.545 116.545 117.668 -1.123 19538 455 1 1 . 1 1 97 97 ASN HA H 97 4.511 4.511 4.435 0.076 19538 456 1 1 . 1 1 97 97 ASN CA C 97 53.163 53.163 53.020 0.143 19538 457 1 1 . 1 1 97 97 ASN CB C 97 38.370 38.370 39.214 -0.844 19538 458 1 1 . 1 1 97 97 ASN H H 97 8.199 8.199 7.694 0.505 19538 459 1 1 . 1 1 98 98 TYR N N 98 119.134 119.134 120.189 -1.055 19538 460 1 1 . 1 1 98 98 TYR HA H 98 4.482 4.482 4.229 0.253 19538 461 1 1 . 1 1 98 98 TYR CA C 98 57.458 57.458 60.234 -2.776 19538 462 1 1 . 1 1 98 98 TYR CB C 98 38.539 38.539 38.845 -0.306 19538 463 1 1 . 1 1 98 98 TYR H H 98 7.918 7.918 8.460 -0.542 19538 464 1 1 . 1 1 99 99 GLN N N 99 119.975 119.975 117.208 2.767 19538 465 1 1 . 1 1 99 99 GLN HA H 99 4.440 4.440 4.642 -0.202 19538 466 1 1 . 1 1 99 99 GLN CA C 99 53.092 53.092 52.658 0.434 19538 467 1 1 . 1 1 99 99 GLN CB C 99 27.891 27.891 29.057 -1.166 19538 468 1 1 . 1 1 99 99 GLN H H 99 7.992 7.992 7.852 0.140 19538 469 1 1 . 1 1 100 100 PRO HA H 100 4.294 4.294 4.132 0.162 19538 470 1 1 . 1 1 100 100 PRO CA C 100 62.415 62.415 62.392 0.023 19538 471 1 1 . 1 1 100 100 PRO CB C 100 32.538 32.538 31.817 0.721 19538 472 1 1 . 1 1 101 101 ASP N N 101 120.964 120.964 121.489 -0.525 19538 473 1 1 . 1 1 101 101 ASP HA H 101 4.654 4.654 4.440 0.214 19538 474 1 1 . 1 1 101 101 ASP CA C 101 52.845 52.845 54.379 -1.534 19538 475 1 1 . 1 1 101 101 ASP CB C 101 42.316 42.316 41.977 0.339 19538 476 1 1 . 1 1 101 101 ASP H H 101 8.225 8.225 8.937 -0.712 19538 477 1 1 . 1 1 102 102 PHE N N 102 122.913 122.913 122.111 0.802 19538 478 1 1 . 1 1 102 102 PHE HA H 102 4.642 4.642 4.525 0.117 19538 479 1 1 . 1 1 102 102 PHE CA C 102 57.341 57.341 58.030 -0.689 19538 480 1 1 . 1 1 102 102 PHE CB C 102 38.576 38.576 38.744 -0.168 19538 481 1 1 . 1 1 102 102 PHE H H 102 9.014 9.014 8.370 0.644 19538 482 1 1 . 1 1 103 103 ILE N N 103 117.131 117.131 124.887 -7.756 19538 483 1 1 . 1 1 103 103 ILE HA H 103 4.464 4.464 3.857 0.607 19538 484 1 1 . 1 1 103 103 ILE CA C 103 60.346 60.346 63.958 -3.611 19538 485 1 1 . 1 1 103 103 ILE CB C 103 39.243 39.243 38.505 0.738 19538 486 1 1 . 1 1 103 103 ILE H H 103 8.765 8.765 8.921 -0.156 19538 487 1 1 . 1 1 104 104 ASN N N 104 117.264 117.264 116.043 1.221 19538 488 1 1 . 1 1 104 104 ASN HA H 104 4.913 4.913 5.169 -0.256 19538 489 1 1 . 1 1 104 104 ASN CA C 104 52.710 52.710 52.601 0.109 19538 490 1 1 . 1 1 104 104 ASN CB C 104 41.361 41.361 42.374 -1.013 19538 491 1 1 . 1 1 104 104 ASN H H 104 7.441 7.441 8.241 -0.800 19538 492 1 1 . 1 1 105 105 MET N N 105 125.685 125.685 120.501 5.184 19538 493 1 1 . 1 1 105 105 MET HA H 105 5.484 5.484 5.327 0.157 19538 494 1 1 . 1 1 105 105 MET CA C 105 56.071 56.071 54.838 1.233 19538 495 1 1 . 1 1 105 105 MET CB C 105 34.514 34.514 35.376 -0.862 19538 496 1 1 . 1 1 105 105 MET H H 105 9.244 9.244 8.842 0.402 19538 497 1 1 . 1 1 106 106 TYR N N 106 125.856 125.856 119.842 6.014 19538 498 1 1 . 1 1 106 106 TYR HA H 106 5.438 5.438 5.499 -0.061 19538 499 1 1 . 1 1 106 106 TYR CA C 106 54.552 54.552 55.288 -0.736 19538 500 1 1 . 1 1 106 106 TYR CB C 106 40.104 40.104 40.892 -0.788 19538 501 1 1 . 1 1 106 106 TYR H H 106 8.893 8.893 8.924 -0.031 19538 502 1 1 . 1 1 107 107 VAL N N 107 117.033 117.033 120.095 -3.062 19538 503 1 1 . 1 1 107 107 VAL HA H 107 4.957 4.957 4.587 0.370 19538 504 1 1 . 1 1 107 107 VAL CA C 107 60.008 60.008 59.818 0.190 19538 505 1 1 . 1 1 107 107 VAL CB C 107 35.319 35.319 34.893 0.426 19538 506 1 1 . 1 1 107 107 VAL H H 107 9.041 9.041 9.152 -0.111 19538 507 1 1 . 1 1 108 108 ASP N N 108 129.995 129.995 130.668 -0.673 19538 508 1 1 . 1 1 108 108 ASP HA H 108 5.240 5.240 5.007 0.233 19538 509 1 1 . 1 1 108 108 ASP CA C 108 52.975 52.975 52.704 0.271 19538 510 1 1 . 1 1 108 108 ASP CB C 108 42.245 42.245 42.214 0.031 19538 511 1 1 . 1 1 108 108 ASP H H 108 9.382 9.382 9.367 0.015 19538 512 1 1 . 1 1 109 109 VAL N N 109 129.641 129.641 124.835 4.806 19538 513 1 1 . 1 1 109 109 VAL HA H 109 4.464 4.464 4.465 -0.001 19538 514 1 1 . 1 1 109 109 VAL CA C 109 58.694 58.694 58.144 0.550 19538 515 1 1 . 1 1 109 109 VAL CB C 109 33.061 33.061 34.468 -1.407 19538 516 1 1 . 1 1 109 109 VAL H H 109 9.181 9.181 8.346 0.835 19538 517 1 1 . 1 1 110 110 PRO HA H 110 4.288 4.288 4.374 -0.086 19538 518 1 1 . 1 1 110 110 PRO CA C 110 64.107 64.107 64.407 -0.300 19538 519 1 1 . 1 1 110 110 PRO CB C 110 31.557 31.557 31.638 -0.081 19538 520 1 1 . 1 1 111 111 GLY N N 111 112.873 112.873 112.485 0.388 19538 521 1 1 . 1 1 111 111 GLY CA C 111 44.872 44.872 44.866 0.006 19538 522 1 1 . 1 1 111 111 GLY H H 111 8.839 8.839 8.722 0.117 19538 523 1 1 . 1 1 112 112 GLU N N 112 118.157 118.157 121.391 -3.234 19538 524 1 1 . 1 1 112 112 GLU HA H 112 4.858 4.858 4.681 0.177 19538 525 1 1 . 1 1 112 112 GLU CA C 112 52.732 52.732 54.800 -2.068 19538 526 1 1 . 1 1 112 112 GLU CB C 112 31.513 31.513 31.416 0.097 19538 527 1 1 . 1 1 112 112 GLU H H 112 8.136 8.136 8.231 -0.095 19538 528 1 1 . 1 1 113 113 LYS N N 113 121.944 121.944 122.156 -0.212 19538 529 1 1 . 1 1 113 113 LYS HA H 113 4.208 4.208 4.208 -0.000 19538 530 1 1 . 1 1 113 113 LYS CA C 113 55.810 55.810 56.011 -0.201 19538 531 1 1 . 1 1 113 113 LYS CB C 113 32.157 32.157 32.684 -0.527 19538 532 1 1 . 1 1 113 113 LYS H H 113 8.847 8.847 8.477 0.370 19538 533 1 1 . 1 1 114 114 ARG N N 114 126.520 126.520 121.648 4.872 19538 534 1 1 . 1 1 114 114 ARG HA H 114 4.064 4.064 4.390 -0.326 19538 535 1 1 . 1 1 114 114 ARG CA C 114 57.914 57.914 56.656 1.258 19538 536 1 1 . 1 1 114 114 ARG CB C 114 30.627 30.627 30.101 0.526 19538 537 1 1 . 1 1 114 114 ARG H H 114 8.539 8.539 8.277 0.262 19538 538 1 1 . 1 1 115 115 TYR N N 115 128.478 128.478 128.778 -0.300 19538 539 1 1 . 1 1 115 115 TYR HA H 115 4.671 4.671 4.730 -0.059 19538 540 1 1 . 1 1 115 115 TYR CA C 115 56.519 56.519 56.700 -0.181 19538 541 1 1 . 1 1 115 115 TYR CB C 115 40.193 40.193 40.746 -0.553 19538 542 1 1 . 1 1 115 115 TYR H H 115 8.333 8.333 8.436 -0.103 19538 543 1 1 . 1 1 116 116 TYR N N 116 127.101 127.101 128.182 -1.081 19538 544 1 1 . 1 1 116 116 TYR HA H 116 4.553 4.553 4.672 -0.119 19538 545 1 1 . 1 1 116 116 TYR CA C 116 58.502 58.502 58.071 0.431 19538 546 1 1 . 1 1 116 116 TYR CB C 116 38.842 38.842 37.214 1.628 19538 547 1 1 . 1 1 116 116 TYR H H 116 8.740 8.740 8.570 0.170 19538 548 1 1 . 1 1 117 117 LEU N N 117 125.574 125.574 124.686 0.888 19538 549 1 1 . 1 1 117 117 LEU HA H 117 4.394 4.394 4.359 0.035 19538 550 1 1 . 1 1 117 117 LEU CA C 117 57.384 57.384 56.789 0.595 19538 551 1 1 . 1 1 117 117 LEU CB C 117 43.272 43.272 42.933 0.339 19538 552 1 1 . 1 1 117 117 LEU H H 117 8.427 8.427 8.242 0.185 19538 553 1 1 . 1 1 118 118 ILE N N 118 118.478 118.478 118.509 -0.031 19538 554 1 1 . 1 1 118 118 ILE HA H 118 4.199 4.199 4.293 -0.094 19538 555 1 1 . 1 1 118 118 ILE CA C 118 60.074 60.074 60.183 -0.109 19538 556 1 1 . 1 1 118 118 ILE CB C 118 40.895 40.895 40.141 0.754 19538 557 1 1 . 1 1 118 118 ILE H H 118 7.983 7.983 8.289 -0.306 19538 558 1 1 . 1 1 119 119 LYS N N 119 127.589 127.589 128.949 -1.360 19538 559 1 1 . 1 1 119 119 LYS HA H 119 4.778 4.778 4.740 0.038 19538 560 1 1 . 1 1 119 119 LYS CA C 119 53.232 53.232 52.755 0.477 19538 561 1 1 . 1 1 119 119 LYS CB C 119 32.581 32.581 31.300 1.281 19538 562 1 1 . 1 1 119 119 LYS H H 119 8.550 8.550 8.635 -0.085 19538 563 1 1 . 1 1 120 120 PRO HA H 120 4.534 4.534 4.616 -0.082 19538 564 1 1 . 1 1 120 120 PRO CA C 120 62.395 62.395 62.050 0.345 19538 565 1 1 . 1 1 120 120 PRO CB C 120 32.059 32.059 32.673 -0.614 19538 566 1 1 . 1 1 121 121 LYS N N 121 122.191 122.191 120.706 1.485 19538 567 1 1 . 1 1 121 121 LYS HA H 121 4.136 4.136 4.256 -0.120 19538 568 1 1 . 1 1 121 121 LYS CA C 121 55.840 55.840 56.015 -0.175 19538 569 1 1 . 1 1 121 121 LYS CB C 121 33.162 33.162 29.461 3.701 19538 570 1 1 . 1 1 121 121 LYS H H 121 8.406 8.406 8.573 -0.167 19538 571 1 1 . 1 1 122 122 LEU N N 122 122.972 122.972 120.864 2.108 19538 572 1 1 . 1 1 122 122 LEU HA H 122 4.219 4.219 3.922 0.297 19538 573 1 1 . 1 1 122 122 LEU CA C 122 54.494 54.494 56.526 -2.032 19538 574 1 1 . 1 1 122 122 LEU CB C 122 41.990 41.990 41.813 0.177 19538 575 1 1 . 1 1 122 122 LEU H H 122 8.158 8.158 8.553 -0.395 19538 576 1 1 . 1 1 123 123 HIS N N 123 121.608 121.608 114.371 7.237 19538 577 1 1 . 1 1 123 123 HIS HA H 123 4.776 4.776 4.897 -0.121 19538 578 1 1 . 1 1 123 123 HIS CA C 123 53.651 53.651 52.220 1.431 19538 579 1 1 . 1 1 123 123 HIS CB C 123 30.145 30.145 29.805 0.340 19538 580 1 1 . 1 1 123 123 HIS H H 123 8.172 8.172 7.640 0.532 19538 581 1 1 . 1 1 124 124 PRO HA H 124 4.085 4.085 4.543 -0.458 19538 582 1 1 . 1 1 124 124 PRO CA C 124 62.119 62.119 63.324 -1.205 19538 583 1 1 . 1 1 124 124 PRO CB C 124 33.900 33.900 30.397 3.503 19538 584 1 1 . 1 1 125 125 VAL N N 125 120.758 120.758 120.626 0.132 19538 585 1 1 . 1 1 125 125 VAL HA H 125 4.085 4.085 3.534 0.551 19538 586 1 1 . 1 1 125 125 VAL CA C 125 61.791 61.791 64.871 -3.080 19538 587 1 1 . 1 1 125 125 VAL CB C 125 32.635 32.635 30.494 2.141 19538 588 1 1 . 1 1 125 125 VAL H H 125 8.361 8.361 8.468 -0.107 19538 589 1 1 . 1 1 126 126 SER N N 126 119.450 119.450 118.422 1.028 19538 590 1 1 . 1 1 126 126 SER HA H 126 4.417 4.417 4.386 0.031 19538 591 1 1 . 1 1 126 126 SER CA C 126 57.522 57.522 59.714 -2.192 19538 592 1 1 . 1 1 126 126 SER CB C 126 63.634 63.634 63.894 -0.260 19538 593 1 1 . 1 1 126 126 SER H H 126 8.323 8.323 8.264 0.059 19538 594 1 2 . 1 1 2 2 ALA N N 2 122.815 122.815 125.965 -3.150 19538 595 1 2 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.473 -0.180 19538 596 1 2 . 1 1 2 2 ALA CA C 2 52.085 52.085 51.990 0.095 19538 597 1 2 . 1 1 2 2 ALA CB C 2 19.067 19.067 18.054 1.013 19538 598 1 2 . 1 1 2 2 ALA H H 2 8.102 8.102 8.538 -0.436 19538 599 1 2 . 1 1 3 3 MET N N 3 119.897 119.897 121.635 -1.738 19538 600 1 2 . 1 1 3 3 MET HA H 3 4.401 4.401 4.263 0.138 19538 601 1 2 . 1 1 3 3 MET CA C 3 55.339 55.339 53.670 1.669 19538 602 1 2 . 1 1 3 3 MET CB C 3 32.938 32.938 29.297 3.641 19538 603 1 2 . 1 1 3 3 MET H H 3 8.501 8.501 8.705 -0.204 19538 604 1 2 . 1 1 4 4 GLY N N 4 110.174 110.174 113.402 -3.228 19538 605 1 2 . 1 1 4 4 GLY CA C 4 44.706 44.706 45.184 -0.478 19538 606 1 2 . 1 1 4 4 GLY H H 4 8.498 8.498 8.753 -0.255 19538 607 1 2 . 1 1 5 5 SER HA H 5 4.368 4.368 4.009 0.359 19538 608 1 2 . 1 1 5 5 SER CA C 5 58.467 58.467 60.172 -1.705 19538 609 1 2 . 1 1 5 5 SER CB C 5 63.530 63.530 61.459 2.071 19538 610 1 2 . 1 1 6 6 GLY CA C 6 45.983 45.983 47.442 -1.459 19538 611 1 2 . 1 1 7 7 ASP N N 7 122.649 122.649 120.406 2.243 19538 612 1 2 . 1 1 7 7 ASP HA H 7 4.375 4.375 4.599 -0.225 19538 613 1 2 . 1 1 7 7 ASP CA C 7 56.523 56.523 57.800 -1.277 19538 614 1 2 . 1 1 7 7 ASP CB C 7 40.235 40.235 40.660 -0.425 19538 615 1 2 . 1 1 7 7 ASP H H 7 8.457 8.457 8.811 -0.354 19538 616 1 2 . 1 1 8 8 THR N N 8 116.751 116.751 116.439 0.312 19538 617 1 2 . 1 1 8 8 THR HA H 8 3.853 3.853 4.002 -0.149 19538 618 1 2 . 1 1 8 8 THR CA C 8 66.104 66.104 67.266 -1.162 19538 619 1 2 . 1 1 8 8 THR CB C 8 68.047 68.047 68.441 -0.394 19538 620 1 2 . 1 1 8 8 THR H H 8 8.128 8.128 8.293 -0.165 19538 621 1 2 . 1 1 9 9 GLN N N 9 120.186 120.186 121.413 -1.227 19538 622 1 2 . 1 1 9 9 GLN HA H 9 4.038 4.038 4.100 -0.062 19538 623 1 2 . 1 1 9 9 GLN CA C 9 58.699 58.699 59.542 -0.843 19538 624 1 2 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.640 -0.540 19538 625 1 2 . 1 1 9 9 GLN H H 9 7.831 7.831 8.794 -0.963 19538 626 1 2 . 1 1 10 10 LEU N N 10 120.735 120.735 120.399 0.336 19538 627 1 2 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.142 -0.225 19538 628 1 2 . 1 1 10 10 LEU CA C 10 58.126 58.126 58.597 -0.471 19538 629 1 2 . 1 1 10 10 LEU CB C 10 41.935 41.935 41.580 0.355 19538 630 1 2 . 1 1 10 10 LEU H H 10 7.670 7.670 8.957 -1.287 19538 631 1 2 . 1 1 11 11 PHE N N 11 117.802 117.802 121.099 -3.297 19538 632 1 2 . 1 1 11 11 PHE HA H 11 3.821 3.821 3.837 -0.016 19538 633 1 2 . 1 1 11 11 PHE CA C 11 60.224 60.224 61.871 -1.647 19538 634 1 2 . 1 1 11 11 PHE CB C 11 38.798 38.798 38.936 -0.138 19538 635 1 2 . 1 1 11 11 PHE H H 11 7.939 7.939 9.301 -1.362 19538 636 1 2 . 1 1 12 12 ASN N N 12 117.152 117.152 118.274 -1.122 19538 637 1 2 . 1 1 12 12 ASN HA H 12 3.868 3.868 4.159 -0.290 19538 638 1 2 . 1 1 12 12 ASN CA C 12 55.410 55.410 56.483 -1.073 19538 639 1 2 . 1 1 12 12 ASN CB C 12 37.188 37.188 37.888 -0.700 19538 640 1 2 . 1 1 12 12 ASN H H 12 8.562 8.562 8.768 -0.206 19538 641 1 2 . 1 1 13 13 ARG N N 13 119.825 119.825 121.077 -1.252 19538 642 1 2 . 1 1 13 13 ARG HA H 13 3.914 3.914 4.064 -0.150 19538 643 1 2 . 1 1 13 13 ARG CA C 13 58.623 58.623 59.593 -0.970 19538 644 1 2 . 1 1 13 13 ARG CB C 13 31.719 31.719 30.359 1.360 19538 645 1 2 . 1 1 13 13 ARG H H 13 8.006 8.006 8.819 -0.813 19538 646 1 2 . 1 1 14 14 ALA N N 14 122.749 122.749 122.710 0.039 19538 647 1 2 . 1 1 14 14 ALA HA H 14 3.938 3.938 3.914 0.024 19538 648 1 2 . 1 1 14 14 ALA CA C 14 54.976 54.976 54.999 -0.023 19538 649 1 2 . 1 1 14 14 ALA CB C 14 19.446 19.446 18.716 0.730 19538 650 1 2 . 1 1 14 14 ALA H H 14 8.163 8.163 8.621 -0.458 19538 651 1 2 . 1 1 15 15 VAL N N 15 118.460 118.460 119.100 -0.640 19538 652 1 2 . 1 1 15 15 VAL HA H 15 3.219 3.219 3.686 -0.467 19538 653 1 2 . 1 1 15 15 VAL CA C 15 66.611 66.611 65.027 1.584 19538 654 1 2 . 1 1 15 15 VAL CB C 15 30.889 30.889 30.683 0.206 19538 655 1 2 . 1 1 15 15 VAL H H 15 8.718 8.718 8.357 0.361 19538 656 1 2 . 1 1 16 16 SER N N 16 113.102 113.102 116.125 -3.023 19538 657 1 2 . 1 1 16 16 SER HA H 16 4.144 4.144 4.092 0.052 19538 658 1 2 . 1 1 16 16 SER CA C 16 60.888 60.888 61.926 -1.038 19538 659 1 2 . 1 1 16 16 SER CB C 16 62.503 62.503 62.605 -0.103 19538 660 1 2 . 1 1 16 16 SER H H 16 7.243 7.243 7.997 -0.754 19538 661 1 2 . 1 1 17 17 MET N N 17 117.447 117.447 121.224 -3.777 19538 662 1 2 . 1 1 17 17 MET HA H 17 3.875 3.875 4.118 -0.243 19538 663 1 2 . 1 1 17 17 MET CA C 17 58.575 58.575 58.682 -0.107 19538 664 1 2 . 1 1 17 17 MET CB C 17 33.489 33.489 32.695 0.794 19538 665 1 2 . 1 1 17 17 MET H H 17 7.232 7.232 7.413 -0.181 19538 666 1 2 . 1 1 18 18 VAL N N 18 117.842 117.842 115.357 2.485 19538 667 1 2 . 1 1 18 18 VAL HA H 18 3.357 3.357 3.741 -0.384 19538 668 1 2 . 1 1 18 18 VAL CA C 18 66.065 66.065 65.675 0.390 19538 669 1 2 . 1 1 18 18 VAL CB C 18 31.686 31.686 31.307 0.379 19538 670 1 2 . 1 1 18 18 VAL H H 18 7.678 7.678 7.908 -0.230 19538 671 1 2 . 1 1 19 19 GLU N N 19 113.150 113.150 118.884 -5.734 19538 672 1 2 . 1 1 19 19 GLU HA H 19 3.618 3.618 4.007 -0.389 19538 673 1 2 . 1 1 19 19 GLU CA C 19 58.198 58.198 59.074 -0.876 19538 674 1 2 . 1 1 19 19 GLU CB C 19 29.786 29.786 29.883 -0.097 19538 675 1 2 . 1 1 19 19 GLU H H 19 8.378 8.378 8.336 0.042 19538 676 1 2 . 1 1 20 20 LYS N N 20 114.076 114.076 113.614 0.462 19538 677 1 2 . 1 1 20 20 LYS HA H 20 4.243 4.243 4.373 -0.130 19538 678 1 2 . 1 1 20 20 LYS CA C 20 55.725 55.725 54.845 0.880 19538 679 1 2 . 1 1 20 20 LYS CB C 20 33.032 33.032 32.735 0.297 19538 680 1 2 . 1 1 20 20 LYS H H 20 7.072 7.072 7.617 -0.545 19538 681 1 2 . 1 1 21 21 ASN N N 21 121.025 121.025 120.820 0.205 19538 682 1 2 . 1 1 21 21 ASN HA H 21 4.555 4.555 4.481 0.074 19538 683 1 2 . 1 1 21 21 ASN CA C 21 53.766 53.766 53.057 0.709 19538 684 1 2 . 1 1 21 21 ASN CB C 21 39.835 39.835 39.027 0.808 19538 685 1 2 . 1 1 21 21 ASN H H 21 7.230 7.230 7.677 -0.447 19538 686 1 2 . 1 1 22 22 LYS N N 22 128.112 128.112 127.552 0.560 19538 687 1 2 . 1 1 22 22 LYS HA H 22 3.698 3.698 3.922 -0.224 19538 688 1 2 . 1 1 22 22 LYS CA C 22 59.519 59.519 59.502 0.017 19538 689 1 2 . 1 1 22 22 LYS CB C 22 32.140 32.140 31.557 0.583 19538 690 1 2 . 1 1 22 22 LYS H H 22 8.846 8.846 8.750 0.096 19538 691 1 2 . 1 1 23 23 ASP N N 23 120.250 120.250 120.686 -0.436 19538 692 1 2 . 1 1 23 23 ASP HA H 23 4.297 4.297 4.399 -0.102 19538 693 1 2 . 1 1 23 23 ASP CA C 23 56.787 56.787 57.111 -0.324 19538 694 1 2 . 1 1 23 23 ASP CB C 23 39.444 39.444 39.994 -0.550 19538 695 1 2 . 1 1 23 23 ASP H H 23 7.731 7.731 8.493 -0.762 19538 696 1 2 . 1 1 24 24 ILE N N 24 121.988 121.988 120.828 1.160 19538 697 1 2 . 1 1 24 24 ILE HA H 24 3.219 3.219 3.308 -0.089 19538 698 1 2 . 1 1 24 24 ILE CA C 24 63.375 63.375 65.351 -1.976 19538 699 1 2 . 1 1 24 24 ILE CB C 24 35.424 35.424 37.639 -2.215 19538 700 1 2 . 1 1 24 24 ILE H H 24 8.431 8.431 7.342 1.089 19538 701 1 2 . 1 1 25 25 ARG N N 25 118.181 118.181 120.152 -1.971 19538 702 1 2 . 1 1 25 25 ARG HA H 25 3.810 3.810 3.836 -0.026 19538 703 1 2 . 1 1 25 25 ARG CA C 25 60.546 60.546 60.609 -0.063 19538 704 1 2 . 1 1 25 25 ARG CB C 25 30.205 30.205 29.910 0.295 19538 705 1 2 . 1 1 25 25 ARG H H 25 8.206 8.206 8.850 -0.644 19538 706 1 2 . 1 1 26 26 SER N N 26 112.549 112.549 115.978 -3.429 19538 707 1 2 . 1 1 26 26 SER HA H 26 4.373 4.373 4.140 0.233 19538 708 1 2 . 1 1 26 26 SER CA C 26 61.040 61.040 62.397 -1.357 19538 709 1 2 . 1 1 26 26 SER CB C 26 62.096 62.096 62.844 -0.748 19538 710 1 2 . 1 1 26 26 SER H H 26 7.518 7.518 8.277 -0.759 19538 711 1 2 . 1 1 27 27 LEU N N 27 125.275 125.275 121.519 3.756 19538 712 1 2 . 1 1 27 27 LEU HA H 27 4.013 4.013 4.048 -0.035 19538 713 1 2 . 1 1 27 27 LEU CA C 27 57.652 57.652 57.398 0.254 19538 714 1 2 . 1 1 27 27 LEU CB C 27 42.548 42.548 41.988 0.560 19538 715 1 2 . 1 1 27 27 LEU H H 27 8.050 8.050 7.725 0.325 19538 716 1 2 . 1 1 28 28 LEU N N 28 114.725 114.725 113.528 1.197 19538 717 1 2 . 1 1 28 28 LEU HA H 28 3.863 3.863 4.209 -0.346 19538 718 1 2 . 1 1 28 28 LEU CA C 28 54.299 54.299 55.007 -0.708 19538 719 1 2 . 1 1 28 28 LEU CB C 28 42.874 42.874 41.828 1.046 19538 720 1 2 . 1 1 28 28 LEU H H 28 8.010 8.010 8.438 -0.428 19538 721 1 2 . 1 1 29 29 GLN N N 29 116.444 116.444 114.074 2.370 19538 722 1 2 . 1 1 29 29 GLN HA H 29 3.854 3.854 3.953 -0.099 19538 723 1 2 . 1 1 29 29 GLN CA C 29 55.652 55.652 56.368 -0.716 19538 724 1 2 . 1 1 29 29 GLN CB C 29 25.300 25.300 25.222 0.078 19538 725 1 2 . 1 1 29 29 GLN H H 29 7.972 7.972 7.859 0.113 19538 726 1 2 . 1 1 30 30 CYS N N 30 116.363 116.363 119.679 -3.316 19538 727 1 2 . 1 1 30 30 CYS HA H 30 4.133 4.133 4.062 0.071 19538 728 1 2 . 1 1 30 30 CYS CA C 30 61.559 61.559 60.481 1.078 19538 729 1 2 . 1 1 30 30 CYS CB C 30 27.701 27.701 25.525 2.176 19538 730 1 2 . 1 1 30 30 CYS H H 30 7.847 7.847 8.778 -0.931 19538 731 1 2 . 1 1 31 31 ASP N N 31 125.091 125.091 123.581 1.510 19538 732 1 2 . 1 1 31 31 ASP HA H 31 4.598 4.598 4.445 0.153 19538 733 1 2 . 1 1 31 31 ASP CA C 31 52.428 52.428 56.587 -4.159 19538 734 1 2 . 1 1 31 31 ASP CB C 31 39.156 39.156 41.613 -2.457 19538 735 1 2 . 1 1 31 31 ASP H H 31 9.918 9.918 8.723 1.195 19538 736 1 2 . 1 1 32 32 ASP N N 32 124.593 124.593 117.376 7.217 19538 737 1 2 . 1 1 32 32 ASP HA H 32 5.131 5.131 4.425 0.706 19538 738 1 2 . 1 1 32 32 ASP CA C 32 52.190 52.190 55.446 -3.256 19538 739 1 2 . 1 1 32 32 ASP CB C 32 41.542 41.542 38.991 2.551 19538 740 1 2 . 1 1 32 32 ASP H H 32 7.532 7.532 8.593 -1.061 19538 741 1 2 . 1 1 33 33 GLY N N 33 109.888 109.888 105.581 4.307 19538 742 1 2 . 1 1 33 33 GLY CA C 33 44.840 44.840 45.834 -0.994 19538 743 1 2 . 1 1 33 33 GLY H H 33 7.912 7.912 8.169 -0.257 19538 744 1 2 . 1 1 34 34 ILE HA H 34 3.978 3.978 3.990 -0.012 19538 745 1 2 . 1 1 34 34 ILE CA C 34 63.210 63.210 63.274 -0.064 19538 746 1 2 . 1 1 34 34 ILE CB C 34 38.027 38.027 38.688 -0.661 19538 747 1 2 . 1 1 35 35 THR N N 35 109.823 109.823 113.260 -3.437 19538 748 1 2 . 1 1 35 35 THR HA H 35 4.291 4.291 4.353 -0.062 19538 749 1 2 . 1 1 35 35 THR CA C 35 61.511 61.511 61.610 -0.099 19538 750 1 2 . 1 1 35 35 THR CB C 35 68.374 68.374 69.058 -0.684 19538 751 1 2 . 1 1 35 35 THR H H 35 7.995 7.995 7.906 0.089 19538 752 1 2 . 1 1 36 36 GLY N N 36 109.916 109.916 110.163 -0.247 19538 753 1 2 . 1 1 36 36 GLY CA C 36 44.282 44.282 44.907 -0.625 19538 754 1 2 . 1 1 36 36 GLY H H 36 7.564 7.564 7.616 -0.052 19538 755 1 2 . 1 1 37 37 LYS N N 37 119.833 119.833 123.641 -3.808 19538 756 1 2 . 1 1 37 37 LYS HA H 37 4.442 4.442 4.757 -0.315 19538 757 1 2 . 1 1 37 37 LYS CA C 37 54.520 54.520 55.282 -0.762 19538 758 1 2 . 1 1 37 37 LYS CB C 37 33.208 33.208 33.291 -0.083 19538 759 1 2 . 1 1 37 37 LYS H H 37 8.236 8.236 8.227 0.009 19538 760 1 2 . 1 1 38 38 GLU N N 38 125.697 125.697 124.490 1.207 19538 761 1 2 . 1 1 38 38 GLU HA H 38 3.907 3.907 4.492 -0.585 19538 762 1 2 . 1 1 38 38 GLU CA C 38 56.731 56.731 55.884 0.847 19538 763 1 2 . 1 1 38 38 GLU CB C 38 29.779 29.779 31.879 -2.100 19538 764 1 2 . 1 1 38 38 GLU H H 38 8.175 8.175 8.301 -0.126 19538 765 1 2 . 1 1 39 39 ARG N N 39 128.738 128.738 122.557 6.181 19538 766 1 2 . 1 1 39 39 ARG HA H 39 4.260 4.260 4.416 -0.156 19538 767 1 2 . 1 1 39 39 ARG CA C 39 55.343 55.343 55.710 -0.367 19538 768 1 2 . 1 1 39 39 ARG CB C 39 29.529 29.529 30.066 -0.537 19538 769 1 2 . 1 1 39 39 ARG H H 39 8.920 8.920 8.555 0.365 19538 770 1 2 . 1 1 40 40 LEU N N 40 127.659 127.659 125.634 2.025 19538 771 1 2 . 1 1 40 40 LEU HA H 40 4.488 4.488 4.536 -0.048 19538 772 1 2 . 1 1 40 40 LEU CA C 40 53.848 53.848 54.784 -0.936 19538 773 1 2 . 1 1 40 40 LEU CB C 40 42.333 42.333 43.102 -0.769 19538 774 1 2 . 1 1 40 40 LEU H H 40 8.670 8.670 8.488 0.182 19538 775 1 2 . 1 1 41 41 LYS N N 41 121.136 121.136 122.290 -1.154 19538 776 1 2 . 1 1 41 41 LYS HA H 41 4.647 4.647 4.724 -0.077 19538 777 1 2 . 1 1 41 41 LYS CA C 41 55.062 55.062 55.027 0.035 19538 778 1 2 . 1 1 41 41 LYS CB C 41 35.064 35.064 36.399 -1.335 19538 779 1 2 . 1 1 41 41 LYS H H 41 8.273 8.273 8.178 0.095 19538 780 1 2 . 1 1 42 42 ALA N N 42 123.758 123.758 125.684 -1.926 19538 781 1 2 . 1 1 42 42 ALA HA H 42 5.605 5.605 5.264 0.341 19538 782 1 2 . 1 1 42 42 ALA CA C 42 50.529 50.529 51.128 -0.599 19538 783 1 2 . 1 1 42 42 ALA CB C 42 22.577 22.577 21.984 0.593 19538 784 1 2 . 1 1 42 42 ALA H H 42 8.488 8.488 8.538 -0.050 19538 785 1 2 . 1 1 43 43 TYR N N 43 116.716 116.716 119.661 -2.945 19538 786 1 2 . 1 1 43 43 TYR HA H 43 4.758 4.758 4.712 0.046 19538 787 1 2 . 1 1 43 43 TYR CA C 43 55.975 55.975 56.128 -0.153 19538 788 1 2 . 1 1 43 43 TYR CB C 43 38.409 38.409 39.218 -0.809 19538 789 1 2 . 1 1 43 43 TYR H H 43 8.123 8.123 9.133 -1.010 19538 790 1 2 . 1 1 44 44 GLY N N 44 106.591 106.591 106.431 0.160 19538 791 1 2 . 1 1 44 44 GLY CA C 44 45.172 45.172 44.920 0.252 19538 792 1 2 . 1 1 44 44 GLY H H 44 8.663 8.663 8.575 0.088 19538 793 1 2 . 1 1 45 45 GLU N N 45 118.850 118.850 120.633 -1.783 19538 794 1 2 . 1 1 45 45 GLU HA H 45 4.310 4.310 3.939 0.371 19538 795 1 2 . 1 1 45 45 GLU CA C 45 56.286 56.286 57.976 -1.690 19538 796 1 2 . 1 1 45 45 GLU CB C 45 31.304 31.304 28.662 2.642 19538 797 1 2 . 1 1 45 45 GLU H H 45 8.287 8.287 8.872 -0.585 19538 798 1 2 . 1 1 46 46 LEU N N 46 124.692 124.692 125.631 -0.939 19538 799 1 2 . 1 1 46 46 LEU HA H 46 4.361 4.361 4.135 0.226 19538 800 1 2 . 1 1 46 46 LEU CA C 46 54.967 54.967 57.586 -2.619 19538 801 1 2 . 1 1 46 46 LEU CB C 46 41.980 41.980 42.387 -0.407 19538 802 1 2 . 1 1 46 46 LEU H H 46 9.010 9.010 7.690 1.320 19538 803 1 2 . 1 1 47 47 ILE N N 47 123.302 123.302 112.011 11.291 19538 804 1 2 . 1 1 47 47 ILE HA H 47 4.272 4.272 3.852 0.420 19538 805 1 2 . 1 1 47 47 ILE CA C 47 60.399 60.399 63.334 -2.936 19538 806 1 2 . 1 1 47 47 ILE CB C 47 38.676 38.676 37.812 0.863 19538 807 1 2 . 1 1 47 47 ILE H H 47 8.407 8.407 7.806 0.601 19538 808 1 2 . 1 1 48 48 THR N N 48 117.749 117.749 116.187 1.562 19538 809 1 2 . 1 1 48 48 THR HA H 48 4.330 4.330 3.932 0.398 19538 810 1 2 . 1 1 48 48 THR CA C 48 61.234 61.234 65.380 -4.146 19538 811 1 2 . 1 1 48 48 THR CB C 48 69.327 69.327 68.266 1.060 19538 812 1 2 . 1 1 48 48 THR H H 48 8.183 8.183 7.768 0.415 19538 813 1 2 . 1 1 49 49 ASN N N 49 120.102 120.102 119.089 1.013 19538 814 1 2 . 1 1 49 49 ASN HA H 49 4.585 4.585 4.436 0.149 19538 815 1 2 . 1 1 49 49 ASN CA C 49 53.193 53.193 54.016 -0.823 19538 816 1 2 . 1 1 49 49 ASN CB C 49 38.261 38.261 38.214 0.047 19538 817 1 2 . 1 1 49 49 ASN H H 49 8.418 8.418 7.715 0.704 19538 818 1 2 . 1 1 50 50 ASP N N 50 119.783 119.783 120.502 -0.719 19538 819 1 2 . 1 1 50 50 ASP HA H 50 4.454 4.454 4.312 0.142 19538 820 1 2 . 1 1 50 50 ASP CA C 50 53.950 53.950 56.851 -2.901 19538 821 1 2 . 1 1 50 50 ASP CB C 50 41.231 41.231 41.265 -0.034 19538 822 1 2 . 1 1 50 50 ASP H H 50 8.096 8.096 7.497 0.599 19538 823 1 2 . 1 1 51 51 LYS N N 51 120.547 120.547 117.238 3.309 19538 824 1 2 . 1 1 51 51 LYS HA H 51 4.017 4.017 4.124 -0.107 19538 825 1 2 . 1 1 51 51 LYS CA C 51 56.633 56.633 56.365 0.268 19538 826 1 2 . 1 1 51 51 LYS CB C 51 32.052 32.052 32.904 -0.853 19538 827 1 2 . 1 1 51 51 LYS H H 51 8.173 8.173 7.488 0.685 19538 828 1 2 . 1 1 52 52 TRP N N 52 120.062 120.062 118.362 1.700 19538 829 1 2 . 1 1 52 52 TRP HA H 52 4.617 4.617 4.857 -0.240 19538 830 1 2 . 1 1 52 52 TRP CA C 52 57.045 57.045 56.629 0.416 19538 831 1 2 . 1 1 52 52 TRP CB C 52 29.251 29.251 29.950 -0.699 19538 832 1 2 . 1 1 52 52 TRP H H 52 8.094 8.094 8.188 -0.094 19538 833 1 2 . 1 1 53 53 THR N N 53 115.770 115.770 110.992 4.778 19538 834 1 2 . 1 1 53 53 THR HA H 53 4.262 4.262 4.189 0.073 19538 835 1 2 . 1 1 53 53 THR CA C 53 61.625 61.625 63.600 -1.975 19538 836 1 2 . 1 1 53 53 THR CB C 53 69.153 69.153 68.662 0.491 19538 837 1 2 . 1 1 53 53 THR H H 53 7.789 7.789 8.001 -0.212 19538 838 1 2 . 1 1 54 54 ARG N N 54 122.136 122.136 120.285 1.851 19538 839 1 2 . 1 1 54 54 ARG HA H 54 4.133 4.133 3.997 0.136 19538 840 1 2 . 1 1 54 54 ARG CA C 54 56.038 56.038 57.249 -1.211 19538 841 1 2 . 1 1 54 54 ARG CB C 54 30.441 30.441 27.765 2.676 19538 842 1 2 . 1 1 54 54 ARG H H 54 8.191 8.191 8.296 -0.105 19538 843 1 2 . 1 1 55 55 ASN N N 55 117.842 117.842 118.279 -0.437 19538 844 1 2 . 1 1 55 55 ASN HA H 55 4.713 4.713 4.427 0.286 19538 845 1 2 . 1 1 55 55 ASN CA C 55 52.873 52.873 55.932 -3.059 19538 846 1 2 . 1 1 55 55 ASN CB C 55 38.769 38.769 38.675 0.094 19538 847 1 2 . 1 1 55 55 ASN H H 55 8.205 8.205 8.636 -0.431 19538 848 1 2 . 1 1 56 56 ARG N N 56 121.615 121.615 119.735 1.880 19538 849 1 2 . 1 1 56 56 ARG HA H 56 4.542 4.542 4.899 -0.356 19538 850 1 2 . 1 1 56 56 ARG CA C 56 53.765 53.765 52.903 0.862 19538 851 1 2 . 1 1 56 56 ARG CB C 56 30.009 30.009 31.125 -1.116 19538 852 1 2 . 1 1 56 56 ARG H H 56 8.246 8.246 8.407 -0.161 19538 853 1 2 . 1 1 57 57 PRO HA H 57 4.273 4.273 4.717 -0.444 19538 854 1 2 . 1 1 57 57 PRO CA C 57 62.424 62.424 61.109 1.315 19538 855 1 2 . 1 1 57 57 PRO CB C 57 31.987 31.987 32.894 -0.907 19538 856 1 2 . 1 1 58 58 ILE N N 58 122.700 122.700 119.583 3.117 19538 857 1 2 . 1 1 58 58 ILE HA H 58 4.089 4.089 3.978 0.111 19538 858 1 2 . 1 1 58 58 ILE CA C 58 60.655 60.655 62.736 -2.082 19538 859 1 2 . 1 1 58 58 ILE CB C 58 37.111 37.111 36.782 0.329 19538 860 1 2 . 1 1 58 58 ILE H H 58 8.098 8.098 8.152 -0.054 19538 861 1 2 . 1 1 59 59 VAL N N 59 124.097 124.097 122.051 2.046 19538 862 1 2 . 1 1 59 59 VAL HA H 59 4.549 4.549 4.691 -0.142 19538 863 1 2 . 1 1 59 59 VAL CA C 59 59.613 59.613 60.741 -1.128 19538 864 1 2 . 1 1 59 59 VAL CB C 59 34.980 34.980 33.830 1.150 19538 865 1 2 . 1 1 59 59 VAL H H 59 8.167 8.167 8.257 -0.090 19538 866 1 2 . 1 1 60 60 SER N N 60 119.752 119.752 123.582 -3.830 19538 867 1 2 . 1 1 60 60 SER HA H 60 5.136 5.136 4.914 0.222 19538 868 1 2 . 1 1 60 60 SER CA C 60 56.467 56.467 58.829 -2.362 19538 869 1 2 . 1 1 60 60 SER CB C 60 64.890 64.890 63.927 0.963 19538 870 1 2 . 1 1 60 60 SER H H 60 8.592 8.592 9.171 -0.579 19538 871 1 2 . 1 1 61 61 THR N N 61 117.559 117.559 117.349 0.210 19538 872 1 2 . 1 1 61 61 THR HA H 61 4.576 4.576 4.434 0.142 19538 873 1 2 . 1 1 61 61 THR CA C 61 61.348 61.348 61.476 -0.128 19538 874 1 2 . 1 1 61 61 THR CB C 61 70.276 70.276 69.613 0.663 19538 875 1 2 . 1 1 61 61 THR H H 61 9.214 9.214 8.707 0.507 19538 876 1 2 . 1 1 62 62 LYS N N 62 123.743 123.743 126.850 -3.107 19538 877 1 2 . 1 1 62 62 LYS HA H 62 5.507 5.507 4.374 1.133 19538 878 1 2 . 1 1 62 62 LYS CA C 62 54.843 54.843 56.342 -1.499 19538 879 1 2 . 1 1 62 62 LYS CB C 62 35.211 35.211 32.813 2.398 19538 880 1 2 . 1 1 62 62 LYS H H 62 8.687 8.687 8.532 0.155 19538 881 1 2 . 1 1 63 63 LYS N N 63 121.218 121.218 123.207 -1.989 19538 882 1 2 . 1 1 63 63 LYS HA H 63 4.595 4.595 4.606 -0.011 19538 883 1 2 . 1 1 63 63 LYS CA C 63 54.760 54.760 55.273 -0.513 19538 884 1 2 . 1 1 63 63 LYS CB C 63 36.712 36.712 36.232 0.480 19538 885 1 2 . 1 1 63 63 LYS H H 63 8.797 8.797 8.668 0.129 19538 886 1 2 . 1 1 64 64 LEU N N 64 124.605 124.605 125.861 -1.256 19538 887 1 2 . 1 1 64 64 LEU HA H 64 4.920 4.920 4.946 -0.026 19538 888 1 2 . 1 1 64 64 LEU CA C 64 53.797 53.797 53.151 0.646 19538 889 1 2 . 1 1 64 64 LEU CB C 64 43.553 43.553 40.887 2.666 19538 890 1 2 . 1 1 64 64 LEU H H 64 8.604 8.604 8.765 -0.161 19538 891 1 2 . 1 1 65 65 ASP N N 65 122.577 122.577 125.365 -2.788 19538 892 1 2 . 1 1 65 65 ASP HA H 65 4.664 4.664 4.810 -0.146 19538 893 1 2 . 1 1 65 65 ASP CA C 65 51.824 51.824 53.826 -2.002 19538 894 1 2 . 1 1 65 65 ASP CB C 65 41.277 41.277 43.034 -1.757 19538 895 1 2 . 1 1 65 65 ASP H H 65 8.455 8.455 7.932 0.523 19538 896 1 2 . 1 1 66 66 LYS N N 66 117.718 117.718 120.141 -2.423 19538 897 1 2 . 1 1 66 66 LYS HA H 66 4.052 4.052 3.930 0.122 19538 898 1 2 . 1 1 66 66 LYS CA C 66 58.116 58.116 59.093 -0.977 19538 899 1 2 . 1 1 66 66 LYS CB C 66 31.677 31.677 31.909 -0.232 19538 900 1 2 . 1 1 66 66 LYS H H 66 8.339 8.339 8.702 -0.363 19538 901 1 2 . 1 1 67 67 GLU N N 67 118.253 118.253 118.933 -0.680 19538 902 1 2 . 1 1 67 67 GLU HA H 67 4.323 4.323 4.189 0.134 19538 903 1 2 . 1 1 67 67 GLU CA C 67 56.018 56.018 57.175 -1.157 19538 904 1 2 . 1 1 67 67 GLU CB C 67 29.587 29.587 29.784 -0.197 19538 905 1 2 . 1 1 67 67 GLU H H 67 8.096 8.096 8.124 -0.028 19538 906 1 2 . 1 1 68 68 GLY N N 68 107.960 107.960 106.423 1.537 19538 907 1 2 . 1 1 68 68 GLY CA C 68 45.213 45.213 45.407 -0.194 19538 908 1 2 . 1 1 68 68 GLY H H 68 8.168 8.168 8.648 -0.480 19538 909 1 2 . 1 1 69 69 ARG N N 69 121.436 121.436 118.434 3.002 19538 910 1 2 . 1 1 69 69 ARG HA H 69 4.482 4.482 4.848 -0.366 19538 911 1 2 . 1 1 69 69 ARG CA C 69 54.229 54.229 53.045 1.184 19538 912 1 2 . 1 1 69 69 ARG CB C 69 30.399 30.399 32.653 -2.254 19538 913 1 2 . 1 1 69 69 ARG H H 69 8.590 8.590 7.492 1.098 19538 914 1 2 . 1 1 70 70 THR N N 70 120.709 120.709 120.545 0.164 19538 915 1 2 . 1 1 70 70 THR HA H 70 4.298 4.298 4.455 -0.157 19538 916 1 2 . 1 1 70 70 THR CA C 70 64.365 64.365 63.377 0.988 19538 917 1 2 . 1 1 70 70 THR CB C 70 68.832 68.832 68.339 0.493 19538 918 1 2 . 1 1 70 70 THR H H 70 8.822 8.822 8.296 0.526 19538 919 1 2 . 1 1 71 71 HIS N N 71 127.496 127.496 128.194 -0.698 19538 920 1 2 . 1 1 71 71 HIS HA H 71 5.138 5.138 4.771 0.367 19538 921 1 2 . 1 1 71 71 HIS CA C 71 53.948 53.948 55.816 -1.868 19538 922 1 2 . 1 1 71 71 HIS CB C 71 31.791 31.791 31.586 0.205 19538 923 1 2 . 1 1 71 71 HIS H H 71 9.384 9.384 9.764 -0.380 19538 924 1 2 . 1 1 72 72 HIS N N 72 121.684 121.684 126.016 -4.332 19538 925 1 2 . 1 1 72 72 HIS HA H 72 5.094 5.094 4.905 0.189 19538 926 1 2 . 1 1 72 72 HIS CA C 72 54.390 54.390 55.265 -0.875 19538 927 1 2 . 1 1 72 72 HIS CB C 72 33.961 33.961 32.049 1.912 19538 928 1 2 . 1 1 72 72 HIS H H 72 9.076 9.076 9.327 -0.251 19538 929 1 2 . 1 1 73 73 TYR N N 73 121.287 121.287 123.390 -2.103 19538 930 1 2 . 1 1 73 73 TYR HA H 73 5.305 5.305 4.871 0.434 19538 931 1 2 . 1 1 73 73 TYR CA C 73 56.017 56.017 57.206 -1.189 19538 932 1 2 . 1 1 73 73 TYR CB C 73 39.479 39.479 39.138 0.341 19538 933 1 2 . 1 1 73 73 TYR H H 73 9.305 9.305 9.173 0.132 19538 934 1 2 . 1 1 74 74 MET N N 74 124.078 124.078 123.828 0.250 19538 935 1 2 . 1 1 74 74 MET HA H 74 4.867 4.867 5.290 -0.423 19538 936 1 2 . 1 1 74 74 MET CA C 74 54.701 54.701 54.453 0.248 19538 937 1 2 . 1 1 74 74 MET CB C 74 38.007 38.007 36.712 1.295 19538 938 1 2 . 1 1 74 74 MET H H 74 8.761 8.761 9.373 -0.612 19538 939 1 2 . 1 1 75 75 ARG N N 75 123.962 123.962 124.115 -0.153 19538 940 1 2 . 1 1 75 75 ARG HA H 75 5.471 5.471 5.634 -0.163 19538 941 1 2 . 1 1 75 75 ARG CA C 75 53.340 53.340 54.414 -1.075 19538 942 1 2 . 1 1 75 75 ARG CB C 75 34.441 34.441 33.492 0.949 19538 943 1 2 . 1 1 75 75 ARG H H 75 8.427 8.427 8.620 -0.193 19538 944 1 2 . 1 1 76 76 PHE N N 76 114.935 114.935 116.500 -1.565 19538 945 1 2 . 1 1 76 76 PHE HA H 76 4.621 4.621 5.086 -0.465 19538 946 1 2 . 1 1 76 76 PHE CA C 76 55.856 55.856 56.774 -0.918 19538 947 1 2 . 1 1 76 76 PHE CB C 76 39.167 39.167 41.321 -2.154 19538 948 1 2 . 1 1 76 76 PHE H H 76 8.296 8.296 8.786 -0.490 19538 949 1 2 . 1 1 77 77 HIS N N 77 117.830 117.830 119.451 -1.621 19538 950 1 2 . 1 1 77 77 HIS HA H 77 5.451 5.451 5.529 -0.078 19538 951 1 2 . 1 1 77 77 HIS CA C 77 54.767 54.767 55.801 -1.034 19538 952 1 2 . 1 1 77 77 HIS CB C 77 31.102 31.102 32.847 -1.745 19538 953 1 2 . 1 1 77 77 HIS H H 77 9.190 9.190 9.497 -0.307 19538 954 1 2 . 1 1 78 78 VAL N N 78 114.372 114.372 121.429 -7.057 19538 955 1 2 . 1 1 78 78 VAL HA H 78 5.110 5.110 5.056 0.054 19538 956 1 2 . 1 1 78 78 VAL CA C 78 59.653 59.653 59.102 0.551 19538 957 1 2 . 1 1 78 78 VAL CB C 78 35.073 35.073 35.712 -0.639 19538 958 1 2 . 1 1 78 78 VAL H H 78 7.860 7.860 9.324 -1.464 19538 959 1 2 . 1 1 79 79 GLU N N 79 126.076 126.076 127.097 -1.021 19538 960 1 2 . 1 1 79 79 GLU HA H 79 5.400 5.400 4.850 0.550 19538 961 1 2 . 1 1 79 79 GLU CA C 79 54.316 54.316 55.417 -1.101 19538 962 1 2 . 1 1 79 79 GLU CB C 79 34.060 34.060 31.884 2.176 19538 963 1 2 . 1 1 79 79 GLU H H 79 9.213 9.213 9.342 -0.129 19538 964 1 2 . 1 1 80 80 SER N N 80 124.627 124.627 123.695 0.932 19538 965 1 2 . 1 1 80 80 SER HA H 80 4.892 4.892 4.804 0.088 19538 966 1 2 . 1 1 80 80 SER CA C 80 54.930 54.930 57.891 -2.961 19538 967 1 2 . 1 1 80 80 SER CB C 80 67.503 67.503 63.765 3.738 19538 968 1 2 . 1 1 80 80 SER H H 80 9.464 9.464 9.327 0.137 19538 969 1 2 . 1 1 81 81 LYS N N 81 119.240 119.240 118.856 0.384 19538 970 1 2 . 1 1 81 81 LYS HA H 81 4.000 4.000 4.300 -0.300 19538 971 1 2 . 1 1 81 81 LYS CA C 81 59.099 59.099 58.164 0.935 19538 972 1 2 . 1 1 81 81 LYS CB C 81 31.721 31.721 32.631 -0.910 19538 973 1 2 . 1 1 81 81 LYS H H 81 10.052 10.052 8.667 1.385 19538 974 1 2 . 1 1 82 82 LYS N N 82 114.688 114.688 114.453 0.235 19538 975 1 2 . 1 1 82 82 LYS HA H 82 4.365 4.365 4.450 -0.085 19538 976 1 2 . 1 1 82 82 LYS CA C 82 56.211 56.211 56.022 0.189 19538 977 1 2 . 1 1 82 82 LYS CB C 82 36.484 36.484 34.451 2.033 19538 978 1 2 . 1 1 82 82 LYS H H 82 7.782 7.782 7.751 0.031 19538 979 1 2 . 1 1 83 83 LYS N N 83 118.992 118.992 118.673 0.319 19538 980 1 2 . 1 1 83 83 LYS HA H 83 4.749 4.749 4.671 0.078 19538 981 1 2 . 1 1 83 83 LYS CA C 83 53.590 53.590 54.498 -0.908 19538 982 1 2 . 1 1 83 83 LYS CB C 83 39.218 39.218 36.208 3.010 19538 983 1 2 . 1 1 83 83 LYS H H 83 7.962 7.962 7.706 0.256 19538 984 1 2 . 1 1 84 84 ILE N N 84 118.513 118.513 120.335 -1.822 19538 985 1 2 . 1 1 84 84 ILE HA H 84 4.556 4.556 4.685 -0.129 19538 986 1 2 . 1 1 84 84 ILE CA C 84 60.643 60.643 60.528 0.115 19538 987 1 2 . 1 1 84 84 ILE CB C 84 39.946 39.946 39.011 0.935 19538 988 1 2 . 1 1 84 84 ILE H H 84 7.927 7.927 8.547 -0.620 19538 989 1 2 . 1 1 85 85 ALA N N 85 127.327 127.327 130.067 -2.740 19538 990 1 2 . 1 1 85 85 ALA HA H 85 5.048 5.048 5.109 -0.061 19538 991 1 2 . 1 1 85 85 ALA CA C 85 49.316 49.316 49.563 -0.247 19538 992 1 2 . 1 1 85 85 ALA CB C 85 24.205 24.205 22.983 1.222 19538 993 1 2 . 1 1 85 85 ALA H H 85 9.211 9.211 9.205 0.006 19538 994 1 2 . 1 1 86 86 LEU N N 86 122.978 122.978 121.926 1.052 19538 995 1 2 . 1 1 86 86 LEU HA H 86 4.554 4.554 4.654 -0.100 19538 996 1 2 . 1 1 86 86 LEU CA C 86 53.671 53.671 52.815 0.856 19538 997 1 2 . 1 1 86 86 LEU CB C 86 44.396 44.396 45.267 -0.871 19538 998 1 2 . 1 1 86 86 LEU H H 86 8.312 8.312 8.901 -0.589 19538 999 1 2 . 1 1 87 87 VAL N N 87 127.511 127.511 126.516 0.995 19538 1000 1 2 . 1 1 87 87 VAL HA H 87 4.244 4.244 4.488 -0.244 19538 1001 1 2 . 1 1 87 87 VAL CA C 87 60.226 60.226 60.090 0.137 19538 1002 1 2 . 1 1 87 87 VAL CB C 87 31.609 31.609 32.644 -1.035 19538 1003 1 2 . 1 1 87 87 VAL H H 87 9.017 9.017 8.964 0.053 19538 1004 1 2 . 1 1 88 88 HIS N N 88 124.227 124.227 127.085 -2.858 19538 1005 1 2 . 1 1 88 88 HIS HA H 88 4.687 4.687 4.936 -0.249 19538 1006 1 2 . 1 1 88 88 HIS CA C 88 54.314 54.314 52.914 1.400 19538 1007 1 2 . 1 1 88 88 HIS CB C 88 33.245 33.245 32.004 1.241 19538 1008 1 2 . 1 1 88 88 HIS H H 88 8.104 8.104 8.867 -0.763 19538 1009 1 2 . 1 1 89 89 LEU N N 89 121.992 121.992 128.231 -6.239 19538 1010 1 2 . 1 1 89 89 LEU HA H 89 5.050 5.050 5.283 -0.233 19538 1011 1 2 . 1 1 89 89 LEU CA C 89 52.983 52.983 53.634 -0.651 19538 1012 1 2 . 1 1 89 89 LEU CB C 89 46.355 46.355 46.704 -0.349 19538 1013 1 2 . 1 1 89 89 LEU H H 89 8.600 8.600 9.606 -1.006 19538 1014 1 2 . 1 1 90 90 GLU N N 90 121.551 121.551 124.929 -3.378 19538 1015 1 2 . 1 1 90 90 GLU HA H 90 5.253 5.253 5.578 -0.325 19538 1016 1 2 . 1 1 90 90 GLU CA C 90 53.422 53.422 54.291 -0.869 19538 1017 1 2 . 1 1 90 90 GLU CB C 90 33.238 33.238 33.557 -0.319 19538 1018 1 2 . 1 1 90 90 GLU H H 90 8.816 8.816 9.480 -0.664 19538 1019 1 2 . 1 1 91 91 ALA N N 91 128.266 128.266 125.739 2.527 19538 1020 1 2 . 1 1 91 91 ALA HA H 91 5.385 5.385 5.324 0.061 19538 1021 1 2 . 1 1 91 91 ALA CA C 91 49.164 49.164 50.358 -1.194 19538 1022 1 2 . 1 1 91 91 ALA CB C 91 23.227 23.227 23.173 0.054 19538 1023 1 2 . 1 1 91 91 ALA H H 91 9.287 9.287 8.675 0.612 19538 1024 1 2 . 1 1 92 92 LYS N N 92 121.573 121.573 120.132 1.441 19538 1025 1 2 . 1 1 92 92 LYS HA H 92 4.884 4.884 5.260 -0.376 19538 1026 1 2 . 1 1 92 92 LYS CA C 92 54.365 54.365 53.996 0.369 19538 1027 1 2 . 1 1 92 92 LYS CB C 92 36.427 36.427 34.805 1.622 19538 1028 1 2 . 1 1 92 92 LYS H H 92 9.160 9.160 8.750 0.410 19538 1029 1 2 . 1 1 93 93 GLU N N 93 127.022 127.022 127.082 -0.060 19538 1030 1 2 . 1 1 93 93 GLU HA H 93 4.145 4.145 4.251 -0.106 19538 1031 1 2 . 1 1 93 93 GLU CA C 93 56.227 56.227 56.588 -0.361 19538 1032 1 2 . 1 1 93 93 GLU CB C 93 30.986 30.986 29.385 1.601 19538 1033 1 2 . 1 1 93 93 GLU H H 93 8.525 8.525 9.297 -0.772 19538 1034 1 2 . 1 1 94 94 SER N N 94 120.676 120.676 120.945 -0.269 19538 1035 1 2 . 1 1 94 94 SER HA H 94 4.416 4.416 4.379 0.037 19538 1036 1 2 . 1 1 94 94 SER CA C 94 57.241 57.241 58.449 -1.208 19538 1037 1 2 . 1 1 94 94 SER CB C 94 63.634 63.634 64.086 -0.452 19538 1038 1 2 . 1 1 94 94 SER H H 94 8.877 8.877 8.069 0.808 19538 1039 1 2 . 1 1 95 95 LYS HA H 95 4.212 4.212 4.046 0.166 19538 1040 1 2 . 1 1 95 95 LYS CA C 95 56.036 56.036 58.442 -2.406 19538 1041 1 2 . 1 1 95 95 LYS CB C 95 33.113 33.113 32.359 0.754 19538 1042 1 2 . 1 1 96 96 GLN N N 96 118.641 118.641 115.977 2.664 19538 1043 1 2 . 1 1 96 96 GLN HA H 96 4.140 4.140 4.334 -0.194 19538 1044 1 2 . 1 1 96 96 GLN CA C 96 56.338 56.338 56.254 0.084 19538 1045 1 2 . 1 1 96 96 GLN CB C 96 28.958 28.958 29.021 -0.063 19538 1046 1 2 . 1 1 96 96 GLN H H 96 8.335 8.335 8.189 0.146 19538 1047 1 2 . 1 1 97 97 ASN N N 97 116.545 116.545 116.472 0.073 19538 1048 1 2 . 1 1 97 97 ASN HA H 97 4.511 4.511 4.641 -0.130 19538 1049 1 2 . 1 1 97 97 ASN CA C 97 53.163 53.163 52.860 0.303 19538 1050 1 2 . 1 1 97 97 ASN CB C 97 38.370 38.370 39.134 -0.764 19538 1051 1 2 . 1 1 97 97 ASN H H 97 8.199 8.199 7.765 0.434 19538 1052 1 2 . 1 1 98 98 TYR N N 98 119.134 119.134 122.070 -2.936 19538 1053 1 2 . 1 1 98 98 TYR HA H 98 4.482 4.482 4.298 0.184 19538 1054 1 2 . 1 1 98 98 TYR CA C 98 57.458 57.458 60.132 -2.674 19538 1055 1 2 . 1 1 98 98 TYR CB C 98 38.539 38.539 38.810 -0.271 19538 1056 1 2 . 1 1 98 98 TYR H H 98 7.918 7.918 8.673 -0.755 19538 1057 1 2 . 1 1 99 99 GLN N N 99 119.975 119.975 116.281 3.694 19538 1058 1 2 . 1 1 99 99 GLN HA H 99 4.440 4.440 4.638 -0.198 19538 1059 1 2 . 1 1 99 99 GLN CA C 99 53.092 53.092 53.310 -0.218 19538 1060 1 2 . 1 1 99 99 GLN CB C 99 27.891 27.891 29.606 -1.715 19538 1061 1 2 . 1 1 99 99 GLN H H 99 7.992 7.992 7.912 0.080 19538 1062 1 2 . 1 1 100 100 PRO HA H 100 4.294 4.294 4.315 -0.021 19538 1063 1 2 . 1 1 100 100 PRO CA C 100 62.415 62.415 62.039 0.376 19538 1064 1 2 . 1 1 100 100 PRO CB C 100 32.538 32.538 32.101 0.437 19538 1065 1 2 . 1 1 101 101 ASP N N 101 120.964 120.964 121.426 -0.462 19538 1066 1 2 . 1 1 101 101 ASP HA H 101 4.654 4.654 4.516 0.138 19538 1067 1 2 . 1 1 101 101 ASP CA C 101 52.845 52.845 54.230 -1.385 19538 1068 1 2 . 1 1 101 101 ASP CB C 101 42.316 42.316 41.825 0.491 19538 1069 1 2 . 1 1 101 101 ASP H H 101 8.225 8.225 8.429 -0.204 19538 1070 1 2 . 1 1 102 102 PHE N N 102 122.913 122.913 121.513 1.400 19538 1071 1 2 . 1 1 102 102 PHE HA H 102 4.642 4.642 4.626 0.016 19538 1072 1 2 . 1 1 102 102 PHE CA C 102 57.341 57.341 58.314 -0.973 19538 1073 1 2 . 1 1 102 102 PHE CB C 102 38.576 38.576 37.723 0.853 19538 1074 1 2 . 1 1 102 102 PHE H H 102 9.014 9.014 8.610 0.404 19538 1075 1 2 . 1 1 103 103 ILE N N 103 117.131 117.131 124.392 -7.261 19538 1076 1 2 . 1 1 103 103 ILE HA H 103 4.464 4.464 3.816 0.648 19538 1077 1 2 . 1 1 103 103 ILE CA C 103 60.346 60.346 64.003 -3.657 19538 1078 1 2 . 1 1 103 103 ILE CB C 103 39.243 39.243 38.560 0.682 19538 1079 1 2 . 1 1 103 103 ILE H H 103 8.765 8.765 7.897 0.868 19538 1080 1 2 . 1 1 104 104 ASN N N 104 117.264 117.264 115.401 1.863 19538 1081 1 2 . 1 1 104 104 ASN HA H 104 4.913 4.913 5.014 -0.101 19538 1082 1 2 . 1 1 104 104 ASN CA C 104 52.710 52.710 52.698 0.012 19538 1083 1 2 . 1 1 104 104 ASN CB C 104 41.361 41.361 42.187 -0.826 19538 1084 1 2 . 1 1 104 104 ASN H H 104 7.441 7.441 8.128 -0.687 19538 1085 1 2 . 1 1 105 105 MET N N 105 125.685 125.685 123.268 2.417 19538 1086 1 2 . 1 1 105 105 MET HA H 105 5.484 5.484 5.570 -0.086 19538 1087 1 2 . 1 1 105 105 MET CA C 105 56.071 56.071 55.027 1.044 19538 1088 1 2 . 1 1 105 105 MET CB C 105 34.514 34.514 35.450 -0.936 19538 1089 1 2 . 1 1 105 105 MET H H 105 9.244 9.244 8.405 0.839 19538 1090 1 2 . 1 1 106 106 TYR N N 106 125.856 125.856 121.143 4.713 19538 1091 1 2 . 1 1 106 106 TYR HA H 106 5.438 5.438 5.434 0.004 19538 1092 1 2 . 1 1 106 106 TYR CA C 106 54.552 54.552 55.258 -0.706 19538 1093 1 2 . 1 1 106 106 TYR CB C 106 40.104 40.104 41.006 -0.902 19538 1094 1 2 . 1 1 106 106 TYR H H 106 8.893 8.893 9.010 -0.117 19538 1095 1 2 . 1 1 107 107 VAL N N 107 117.033 117.033 120.423 -3.390 19538 1096 1 2 . 1 1 107 107 VAL HA H 107 4.957 4.957 4.739 0.218 19538 1097 1 2 . 1 1 107 107 VAL CA C 107 60.008 60.008 61.164 -1.156 19538 1098 1 2 . 1 1 107 107 VAL CB C 107 35.319 35.319 34.265 1.054 19538 1099 1 2 . 1 1 107 107 VAL H H 107 9.041 9.041 9.440 -0.399 19538 1100 1 2 . 1 1 108 108 ASP N N 108 129.995 129.995 129.381 0.614 19538 1101 1 2 . 1 1 108 108 ASP HA H 108 5.240 5.240 5.002 0.238 19538 1102 1 2 . 1 1 108 108 ASP CA C 108 52.975 52.975 52.576 0.399 19538 1103 1 2 . 1 1 108 108 ASP CB C 108 42.245 42.245 42.451 -0.206 19538 1104 1 2 . 1 1 108 108 ASP H H 108 9.382 9.382 9.389 -0.007 19538 1105 1 2 . 1 1 109 109 VAL N N 109 129.641 129.641 126.821 2.820 19538 1106 1 2 . 1 1 109 109 VAL HA H 109 4.464 4.464 4.365 0.099 19538 1107 1 2 . 1 1 109 109 VAL CA C 109 58.694 58.694 58.714 -0.020 19538 1108 1 2 . 1 1 109 109 VAL CB C 109 33.061 33.061 34.083 -1.022 19538 1109 1 2 . 1 1 109 109 VAL H H 109 9.181 9.181 8.143 1.038 19538 1110 1 2 . 1 1 110 110 PRO HA H 110 4.288 4.288 4.383 -0.095 19538 1111 1 2 . 1 1 110 110 PRO CA C 110 64.107 64.107 63.737 0.370 19538 1112 1 2 . 1 1 110 110 PRO CB C 110 31.557 31.557 32.156 -0.599 19538 1113 1 2 . 1 1 111 111 GLY N N 111 112.873 112.873 112.619 0.254 19538 1114 1 2 . 1 1 111 111 GLY CA C 111 44.872 44.872 46.076 -1.204 19538 1115 1 2 . 1 1 111 111 GLY H H 111 8.839 8.839 8.793 0.046 19538 1116 1 2 . 1 1 112 112 GLU N N 112 118.157 118.157 120.514 -2.357 19538 1117 1 2 . 1 1 112 112 GLU HA H 112 4.858 4.858 4.580 0.278 19538 1118 1 2 . 1 1 112 112 GLU CA C 112 52.732 52.732 54.660 -1.928 19538 1119 1 2 . 1 1 112 112 GLU CB C 112 31.513 31.513 30.820 0.694 19538 1120 1 2 . 1 1 112 112 GLU H H 112 8.136 8.136 7.942 0.194 19538 1121 1 2 . 1 1 113 113 LYS N N 113 121.944 121.944 121.412 0.532 19538 1122 1 2 . 1 1 113 113 LYS HA H 113 4.208 4.208 4.415 -0.207 19538 1123 1 2 . 1 1 113 113 LYS CA C 113 55.810 55.810 54.816 0.994 19538 1124 1 2 . 1 1 113 113 LYS CB C 113 32.157 32.157 32.611 -0.454 19538 1125 1 2 . 1 1 113 113 LYS H H 113 8.847 8.847 8.430 0.417 19538 1126 1 2 . 1 1 114 114 ARG N N 114 126.520 126.520 122.001 4.519 19538 1127 1 2 . 1 1 114 114 ARG HA H 114 4.064 4.064 4.511 -0.447 19538 1128 1 2 . 1 1 114 114 ARG CA C 114 57.914 57.914 56.463 1.451 19538 1129 1 2 . 1 1 114 114 ARG CB C 114 30.627 30.627 29.953 0.674 19538 1130 1 2 . 1 1 114 114 ARG H H 114 8.539 8.539 8.539 -0.000 19538 1131 1 2 . 1 1 115 115 TYR N N 115 128.478 128.478 126.919 1.559 19538 1132 1 2 . 1 1 115 115 TYR HA H 115 4.671 4.671 4.747 -0.076 19538 1133 1 2 . 1 1 115 115 TYR CA C 115 56.519 56.519 56.599 -0.080 19538 1134 1 2 . 1 1 115 115 TYR CB C 115 40.193 40.193 41.213 -1.020 19538 1135 1 2 . 1 1 115 115 TYR H H 115 8.333 8.333 9.316 -0.983 19538 1136 1 2 . 1 1 116 116 TYR N N 116 127.101 127.101 128.250 -1.149 19538 1137 1 2 . 1 1 116 116 TYR HA H 116 4.553 4.553 4.619 -0.066 19538 1138 1 2 . 1 1 116 116 TYR CA C 116 58.502 58.502 58.413 0.089 19538 1139 1 2 . 1 1 116 116 TYR CB C 116 38.842 38.842 37.685 1.157 19538 1140 1 2 . 1 1 116 116 TYR H H 116 8.740 8.740 8.571 0.169 19538 1141 1 2 . 1 1 117 117 LEU N N 117 125.574 125.574 124.838 0.736 19538 1142 1 2 . 1 1 117 117 LEU HA H 117 4.394 4.394 4.306 0.088 19538 1143 1 2 . 1 1 117 117 LEU CA C 117 57.384 57.384 56.714 0.670 19538 1144 1 2 . 1 1 117 117 LEU CB C 117 43.272 43.272 42.952 0.320 19538 1145 1 2 . 1 1 117 117 LEU H H 117 8.427 8.427 8.361 0.066 19538 1146 1 2 . 1 1 118 118 ILE N N 118 118.478 118.478 119.067 -0.589 19538 1147 1 2 . 1 1 118 118 ILE HA H 118 4.199 4.199 4.281 -0.082 19538 1148 1 2 . 1 1 118 118 ILE CA C 118 60.074 60.074 60.374 -0.300 19538 1149 1 2 . 1 1 118 118 ILE CB C 118 40.895 40.895 39.998 0.897 19538 1150 1 2 . 1 1 118 118 ILE H H 118 7.983 7.983 8.372 -0.389 19538 1151 1 2 . 1 1 119 119 LYS N N 119 127.589 127.589 128.856 -1.267 19538 1152 1 2 . 1 1 119 119 LYS HA H 119 4.778 4.778 4.710 0.068 19538 1153 1 2 . 1 1 119 119 LYS CA C 119 53.232 53.232 52.500 0.732 19538 1154 1 2 . 1 1 119 119 LYS CB C 119 32.581 32.581 31.103 1.478 19538 1155 1 2 . 1 1 119 119 LYS H H 119 8.550 8.550 8.615 -0.065 19538 1156 1 2 . 1 1 120 120 PRO HA H 120 4.534 4.534 4.694 -0.160 19538 1157 1 2 . 1 1 120 120 PRO CA C 120 62.395 62.395 62.157 0.237 19538 1158 1 2 . 1 1 120 120 PRO CB C 120 32.059 32.059 32.572 -0.513 19538 1159 1 2 . 1 1 121 121 LYS N N 121 122.191 122.191 123.502 -1.311 19538 1160 1 2 . 1 1 121 121 LYS HA H 121 4.136 4.136 4.176 -0.040 19538 1161 1 2 . 1 1 121 121 LYS CA C 121 55.840 55.840 55.740 0.100 19538 1162 1 2 . 1 1 121 121 LYS CB C 121 33.162 33.162 29.669 3.493 19538 1163 1 2 . 1 1 121 121 LYS H H 121 8.406 8.406 8.739 -0.333 19538 1164 1 2 . 1 1 122 122 LEU N N 122 122.972 122.972 123.710 -0.738 19538 1165 1 2 . 1 1 122 122 LEU HA H 122 4.219 4.219 4.425 -0.206 19538 1166 1 2 . 1 1 122 122 LEU CA C 122 54.494 54.494 54.864 -0.370 19538 1167 1 2 . 1 1 122 122 LEU CB C 122 41.990 41.990 40.605 1.385 19538 1168 1 2 . 1 1 122 122 LEU H H 122 8.158 8.158 8.807 -0.649 19538 1169 1 2 . 1 1 123 123 HIS N N 123 121.608 121.608 121.249 0.359 19538 1170 1 2 . 1 1 123 123 HIS HA H 123 4.776 4.776 4.840 -0.064 19538 1171 1 2 . 1 1 123 123 HIS CA C 123 53.651 53.651 54.167 -0.516 19538 1172 1 2 . 1 1 123 123 HIS CB C 123 30.145 30.145 32.157 -2.013 19538 1173 1 2 . 1 1 123 123 HIS H H 123 8.172 8.172 7.947 0.225 19538 1174 1 2 . 1 1 124 124 PRO HA H 124 4.085 4.085 4.531 -0.446 19538 1175 1 2 . 1 1 124 124 PRO CA C 124 62.119 62.119 62.716 -0.597 19538 1176 1 2 . 1 1 124 124 PRO CB C 124 33.900 33.900 32.843 1.057 19538 1177 1 2 . 1 1 125 125 VAL N N 125 120.758 120.758 118.216 2.542 19538 1178 1 2 . 1 1 125 125 VAL HA H 125 4.085 4.085 3.849 0.236 19538 1179 1 2 . 1 1 125 125 VAL CA C 125 61.791 61.791 64.429 -2.638 19538 1180 1 2 . 1 1 125 125 VAL CB C 125 32.635 32.635 31.750 0.885 19538 1181 1 2 . 1 1 125 125 VAL H H 125 8.361 8.361 8.239 0.122 19538 1182 1 2 . 1 1 126 126 SER N N 126 119.450 119.450 115.869 3.581 19538 1183 1 2 . 1 1 126 126 SER HA H 126 4.417 4.417 4.542 -0.125 19538 1184 1 2 . 1 1 126 126 SER CA C 126 57.522 57.522 58.471 -0.949 19538 1185 1 2 . 1 1 126 126 SER CB C 126 63.634 63.634 63.637 -0.003 19538 1186 1 2 . 1 1 126 126 SER H H 126 8.323 8.323 7.991 0.332 19538 1187 1 3 . 1 1 2 2 ALA N N 2 122.815 122.815 124.452 -1.637 19538 1188 1 3 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.387 -0.094 19538 1189 1 3 . 1 1 2 2 ALA CA C 2 52.085 52.085 52.017 0.069 19538 1190 1 3 . 1 1 2 2 ALA CB C 2 19.067 19.067 17.814 1.253 19538 1191 1 3 . 1 1 2 2 ALA H H 2 8.102 8.102 8.664 -0.562 19538 1192 1 3 . 1 1 3 3 MET N N 3 119.897 119.897 121.535 -1.638 19538 1193 1 3 . 1 1 3 3 MET HA H 3 4.401 4.401 4.266 0.135 19538 1194 1 3 . 1 1 3 3 MET CA C 3 55.339 55.339 53.434 1.905 19538 1195 1 3 . 1 1 3 3 MET CB C 3 32.938 32.938 29.217 3.721 19538 1196 1 3 . 1 1 3 3 MET H H 3 8.501 8.501 8.904 -0.403 19538 1197 1 3 . 1 1 4 4 GLY N N 4 110.174 110.174 108.918 1.256 19538 1198 1 3 . 1 1 4 4 GLY CA C 4 44.706 44.706 46.118 -1.412 19538 1199 1 3 . 1 1 4 4 GLY H H 4 8.498 8.498 8.902 -0.404 19538 1200 1 3 . 1 1 5 5 SER HA H 5 4.368 4.368 4.487 -0.119 19538 1201 1 3 . 1 1 5 5 SER CA C 5 58.467 58.467 58.240 0.227 19538 1202 1 3 . 1 1 5 5 SER CB C 5 63.530 63.530 63.170 0.360 19538 1203 1 3 . 1 1 6 6 GLY CA C 6 45.983 45.983 47.620 -1.637 19538 1204 1 3 . 1 1 7 7 ASP N N 7 122.649 122.649 120.710 1.939 19538 1205 1 3 . 1 1 7 7 ASP HA H 7 4.375 4.375 4.520 -0.145 19538 1206 1 3 . 1 1 7 7 ASP CA C 7 56.523 56.523 57.379 -0.856 19538 1207 1 3 . 1 1 7 7 ASP CB C 7 40.235 40.235 39.465 0.770 19538 1208 1 3 . 1 1 7 7 ASP H H 7 8.457 8.457 8.152 0.305 19538 1209 1 3 . 1 1 8 8 THR N N 8 116.751 116.751 117.137 -0.386 19538 1210 1 3 . 1 1 8 8 THR HA H 8 3.853 3.853 4.102 -0.249 19538 1211 1 3 . 1 1 8 8 THR CA C 8 66.104 66.104 66.468 -0.364 19538 1212 1 3 . 1 1 8 8 THR CB C 8 68.047 68.047 68.103 -0.056 19538 1213 1 3 . 1 1 8 8 THR H H 8 8.128 8.128 8.120 0.008 19538 1214 1 3 . 1 1 9 9 GLN N N 9 120.186 120.186 121.332 -1.146 19538 1215 1 3 . 1 1 9 9 GLN HA H 9 4.038 4.038 4.069 -0.031 19538 1216 1 3 . 1 1 9 9 GLN CA C 9 58.699 58.699 59.430 -0.731 19538 1217 1 3 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.509 -0.409 19538 1218 1 3 . 1 1 9 9 GLN H H 9 7.831 7.831 8.949 -1.118 19538 1219 1 3 . 1 1 10 10 LEU N N 10 120.735 120.735 120.342 0.393 19538 1220 1 3 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.278 -0.361 19538 1221 1 3 . 1 1 10 10 LEU CA C 10 58.126 58.126 58.555 -0.429 19538 1222 1 3 . 1 1 10 10 LEU CB C 10 41.935 41.935 41.732 0.203 19538 1223 1 3 . 1 1 10 10 LEU H H 10 7.670 7.670 9.081 -1.411 19538 1224 1 3 . 1 1 11 11 PHE N N 11 117.802 117.802 121.263 -3.461 19538 1225 1 3 . 1 1 11 11 PHE HA H 11 3.821 3.821 4.022 -0.201 19538 1226 1 3 . 1 1 11 11 PHE CA C 11 60.224 60.224 61.486 -1.262 19538 1227 1 3 . 1 1 11 11 PHE CB C 11 38.798 38.798 39.008 -0.209 19538 1228 1 3 . 1 1 11 11 PHE H H 11 7.939 7.939 9.277 -1.338 19538 1229 1 3 . 1 1 12 12 ASN N N 12 117.152 117.152 118.398 -1.246 19538 1230 1 3 . 1 1 12 12 ASN HA H 12 3.868 3.868 4.165 -0.297 19538 1231 1 3 . 1 1 12 12 ASN CA C 12 55.410 55.410 56.585 -1.175 19538 1232 1 3 . 1 1 12 12 ASN CB C 12 37.188 37.188 37.792 -0.604 19538 1233 1 3 . 1 1 12 12 ASN H H 12 8.562 8.562 9.025 -0.463 19538 1234 1 3 . 1 1 13 13 ARG N N 13 119.825 119.825 120.785 -0.960 19538 1235 1 3 . 1 1 13 13 ARG HA H 13 3.914 3.914 4.050 -0.136 19538 1236 1 3 . 1 1 13 13 ARG CA C 13 58.623 58.623 59.595 -0.972 19538 1237 1 3 . 1 1 13 13 ARG CB C 13 31.719 31.719 30.394 1.325 19538 1238 1 3 . 1 1 13 13 ARG H H 13 8.006 8.006 8.644 -0.638 19538 1239 1 3 . 1 1 14 14 ALA N N 14 122.749 122.749 122.480 0.269 19538 1240 1 3 . 1 1 14 14 ALA HA H 14 3.938 3.938 3.835 0.103 19538 1241 1 3 . 1 1 14 14 ALA CA C 14 54.976 54.976 54.664 0.312 19538 1242 1 3 . 1 1 14 14 ALA CB C 14 19.446 19.446 18.731 0.715 19538 1243 1 3 . 1 1 14 14 ALA H H 14 8.163 8.163 8.335 -0.172 19538 1244 1 3 . 1 1 15 15 VAL N N 15 118.460 118.460 119.075 -0.615 19538 1245 1 3 . 1 1 15 15 VAL HA H 15 3.219 3.219 3.637 -0.418 19538 1246 1 3 . 1 1 15 15 VAL CA C 15 66.611 66.611 65.075 1.536 19538 1247 1 3 . 1 1 15 15 VAL CB C 15 30.889 30.889 30.620 0.269 19538 1248 1 3 . 1 1 15 15 VAL H H 15 8.718 8.718 8.334 0.384 19538 1249 1 3 . 1 1 16 16 SER N N 16 113.102 113.102 115.507 -2.405 19538 1250 1 3 . 1 1 16 16 SER HA H 16 4.144 4.144 4.084 0.060 19538 1251 1 3 . 1 1 16 16 SER CA C 16 60.888 60.888 61.946 -1.058 19538 1252 1 3 . 1 1 16 16 SER CB C 16 62.503 62.503 62.540 -0.037 19538 1253 1 3 . 1 1 16 16 SER H H 16 7.243 7.243 7.662 -0.419 19538 1254 1 3 . 1 1 17 17 MET N N 17 117.447 117.447 120.902 -3.455 19538 1255 1 3 . 1 1 17 17 MET HA H 17 3.875 3.875 4.117 -0.242 19538 1256 1 3 . 1 1 17 17 MET CA C 17 58.575 58.575 58.577 -0.002 19538 1257 1 3 . 1 1 17 17 MET CB C 17 33.489 33.489 32.632 0.857 19538 1258 1 3 . 1 1 17 17 MET H H 17 7.232 7.232 7.313 -0.081 19538 1259 1 3 . 1 1 18 18 VAL N N 18 117.842 117.842 116.217 1.625 19538 1260 1 3 . 1 1 18 18 VAL HA H 18 3.357 3.357 3.722 -0.365 19538 1261 1 3 . 1 1 18 18 VAL CA C 18 66.065 66.065 65.678 0.387 19538 1262 1 3 . 1 1 18 18 VAL CB C 18 31.686 31.686 31.128 0.558 19538 1263 1 3 . 1 1 18 18 VAL H H 18 7.678 7.678 7.662 0.016 19538 1264 1 3 . 1 1 19 19 GLU N N 19 113.150 113.150 118.567 -5.417 19538 1265 1 3 . 1 1 19 19 GLU HA H 19 3.618 3.618 4.021 -0.403 19538 1266 1 3 . 1 1 19 19 GLU CA C 19 58.198 58.198 58.956 -0.758 19538 1267 1 3 . 1 1 19 19 GLU CB C 19 29.786 29.786 29.940 -0.154 19538 1268 1 3 . 1 1 19 19 GLU H H 19 8.378 8.378 8.273 0.105 19538 1269 1 3 . 1 1 20 20 LYS N N 20 114.076 114.076 114.239 -0.163 19538 1270 1 3 . 1 1 20 20 LYS HA H 20 4.243 4.243 4.359 -0.116 19538 1271 1 3 . 1 1 20 20 LYS CA C 20 55.725 55.725 54.827 0.898 19538 1272 1 3 . 1 1 20 20 LYS CB C 20 33.032 33.032 32.624 0.408 19538 1273 1 3 . 1 1 20 20 LYS H H 20 7.072 7.072 7.677 -0.605 19538 1274 1 3 . 1 1 21 21 ASN N N 21 121.025 121.025 121.023 0.002 19538 1275 1 3 . 1 1 21 21 ASN HA H 21 4.555 4.555 4.499 0.056 19538 1276 1 3 . 1 1 21 21 ASN CA C 21 53.766 53.766 52.738 1.028 19538 1277 1 3 . 1 1 21 21 ASN CB C 21 39.835 39.835 39.121 0.714 19538 1278 1 3 . 1 1 21 21 ASN H H 21 7.230 7.230 7.812 -0.582 19538 1279 1 3 . 1 1 22 22 LYS N N 22 128.112 128.112 127.536 0.576 19538 1280 1 3 . 1 1 22 22 LYS HA H 22 3.698 3.698 3.886 -0.188 19538 1281 1 3 . 1 1 22 22 LYS CA C 22 59.519 59.519 59.582 -0.063 19538 1282 1 3 . 1 1 22 22 LYS CB C 22 32.140 32.140 31.477 0.662 19538 1283 1 3 . 1 1 22 22 LYS H H 22 8.846 8.846 8.773 0.073 19538 1284 1 3 . 1 1 23 23 ASP N N 23 120.250 120.250 120.453 -0.203 19538 1285 1 3 . 1 1 23 23 ASP HA H 23 4.297 4.297 4.368 -0.071 19538 1286 1 3 . 1 1 23 23 ASP CA C 23 56.787 56.787 57.302 -0.515 19538 1287 1 3 . 1 1 23 23 ASP CB C 23 39.444 39.444 40.025 -0.581 19538 1288 1 3 . 1 1 23 23 ASP H H 23 7.731 7.731 8.530 -0.799 19538 1289 1 3 . 1 1 24 24 ILE N N 24 121.988 121.988 120.969 1.019 19538 1290 1 3 . 1 1 24 24 ILE HA H 24 3.219 3.219 3.452 -0.233 19538 1291 1 3 . 1 1 24 24 ILE CA C 24 63.375 63.375 65.383 -2.008 19538 1292 1 3 . 1 1 24 24 ILE CB C 24 35.424 35.424 37.711 -2.287 19538 1293 1 3 . 1 1 24 24 ILE H H 24 8.431 8.431 7.434 0.997 19538 1294 1 3 . 1 1 25 25 ARG N N 25 118.181 118.181 120.399 -2.218 19538 1295 1 3 . 1 1 25 25 ARG HA H 25 3.810 3.810 3.871 -0.061 19538 1296 1 3 . 1 1 25 25 ARG CA C 25 60.546 60.546 60.495 0.051 19538 1297 1 3 . 1 1 25 25 ARG CB C 25 30.205 30.205 29.912 0.293 19538 1298 1 3 . 1 1 25 25 ARG H H 25 8.206 8.206 8.918 -0.712 19538 1299 1 3 . 1 1 26 26 SER N N 26 112.549 112.549 115.554 -3.005 19538 1300 1 3 . 1 1 26 26 SER HA H 26 4.373 4.373 4.170 0.203 19538 1301 1 3 . 1 1 26 26 SER CA C 26 61.040 61.040 62.277 -1.237 19538 1302 1 3 . 1 1 26 26 SER CB C 26 62.096 62.096 62.849 -0.753 19538 1303 1 3 . 1 1 26 26 SER H H 26 7.518 7.518 8.203 -0.685 19538 1304 1 3 . 1 1 27 27 LEU N N 27 125.275 125.275 121.474 3.801 19538 1305 1 3 . 1 1 27 27 LEU HA H 27 4.013 4.013 4.046 -0.033 19538 1306 1 3 . 1 1 27 27 LEU CA C 27 57.652 57.652 57.686 -0.034 19538 1307 1 3 . 1 1 27 27 LEU CB C 27 42.548 42.548 41.963 0.585 19538 1308 1 3 . 1 1 27 27 LEU H H 27 8.050 8.050 7.838 0.212 19538 1309 1 3 . 1 1 28 28 LEU N N 28 114.725 114.725 113.982 0.743 19538 1310 1 3 . 1 1 28 28 LEU HA H 28 3.863 3.863 4.174 -0.311 19538 1311 1 3 . 1 1 28 28 LEU CA C 28 54.299 54.299 55.743 -1.444 19538 1312 1 3 . 1 1 28 28 LEU CB C 28 42.874 42.874 42.148 0.726 19538 1313 1 3 . 1 1 28 28 LEU H H 28 8.010 8.010 8.479 -0.469 19538 1314 1 3 . 1 1 29 29 GLN N N 29 116.444 116.444 112.804 3.640 19538 1315 1 3 . 1 1 29 29 GLN HA H 29 3.854 3.854 3.963 -0.109 19538 1316 1 3 . 1 1 29 29 GLN CA C 29 55.652 55.652 56.411 -0.759 19538 1317 1 3 . 1 1 29 29 GLN CB C 29 25.300 25.300 25.296 0.004 19538 1318 1 3 . 1 1 29 29 GLN H H 29 7.972 7.972 8.034 -0.062 19538 1319 1 3 . 1 1 30 30 CYS N N 30 116.363 116.363 121.466 -5.103 19538 1320 1 3 . 1 1 30 30 CYS HA H 30 4.133 4.133 4.179 -0.046 19538 1321 1 3 . 1 1 30 30 CYS CA C 30 61.559 61.559 60.549 1.010 19538 1322 1 3 . 1 1 30 30 CYS CB C 30 27.701 27.701 26.186 1.515 19538 1323 1 3 . 1 1 30 30 CYS H H 30 7.847 7.847 8.616 -0.769 19538 1324 1 3 . 1 1 31 31 ASP N N 31 125.091 125.091 124.454 0.637 19538 1325 1 3 . 1 1 31 31 ASP HA H 31 4.598 4.598 4.662 -0.064 19538 1326 1 3 . 1 1 31 31 ASP CA C 31 52.428 52.428 52.587 -0.159 19538 1327 1 3 . 1 1 31 31 ASP CB C 31 39.156 39.156 40.515 -1.359 19538 1328 1 3 . 1 1 31 31 ASP H H 31 9.918 9.918 8.355 1.563 19538 1329 1 3 . 1 1 32 32 ASP N N 32 124.593 124.593 120.969 3.624 19538 1330 1 3 . 1 1 32 32 ASP HA H 32 5.131 5.131 4.232 0.899 19538 1331 1 3 . 1 1 32 32 ASP CA C 32 52.190 52.190 56.310 -4.120 19538 1332 1 3 . 1 1 32 32 ASP CB C 32 41.542 41.542 39.356 2.186 19538 1333 1 3 . 1 1 32 32 ASP H H 32 7.532 7.532 8.210 -0.678 19538 1334 1 3 . 1 1 33 33 GLY N N 33 109.888 109.888 112.470 -2.582 19538 1335 1 3 . 1 1 33 33 GLY CA C 33 44.840 44.840 45.231 -0.391 19538 1336 1 3 . 1 1 33 33 GLY H H 33 7.912 7.912 8.931 -1.019 19538 1337 1 3 . 1 1 34 34 ILE HA H 34 3.978 3.978 3.990 -0.012 19538 1338 1 3 . 1 1 34 34 ILE CA C 34 63.210 63.210 63.868 -0.659 19538 1339 1 3 . 1 1 34 34 ILE CB C 34 38.027 38.027 38.617 -0.590 19538 1340 1 3 . 1 1 35 35 THR N N 35 109.823 109.823 112.087 -2.264 19538 1341 1 3 . 1 1 35 35 THR HA H 35 4.291 4.291 4.479 -0.188 19538 1342 1 3 . 1 1 35 35 THR CA C 35 61.511 61.511 60.636 0.875 19538 1343 1 3 . 1 1 35 35 THR CB C 35 68.374 68.374 69.003 -0.629 19538 1344 1 3 . 1 1 35 35 THR H H 35 7.995 7.995 8.096 -0.101 19538 1345 1 3 . 1 1 36 36 GLY N N 36 109.916 109.916 109.243 0.673 19538 1346 1 3 . 1 1 36 36 GLY CA C 36 44.282 44.282 44.713 -0.431 19538 1347 1 3 . 1 1 36 36 GLY H H 36 7.564 7.564 7.490 0.074 19538 1348 1 3 . 1 1 37 37 LYS N N 37 119.833 119.833 121.472 -1.639 19538 1349 1 3 . 1 1 37 37 LYS HA H 37 4.442 4.442 4.743 -0.301 19538 1350 1 3 . 1 1 37 37 LYS CA C 37 54.520 54.520 55.468 -0.948 19538 1351 1 3 . 1 1 37 37 LYS CB C 37 33.208 33.208 34.178 -0.971 19538 1352 1 3 . 1 1 37 37 LYS H H 37 8.236 8.236 8.368 -0.132 19538 1353 1 3 . 1 1 38 38 GLU N N 38 125.697 125.697 124.629 1.068 19538 1354 1 3 . 1 1 38 38 GLU HA H 38 3.907 3.907 4.457 -0.550 19538 1355 1 3 . 1 1 38 38 GLU CA C 38 56.731 56.731 54.940 1.791 19538 1356 1 3 . 1 1 38 38 GLU CB C 38 29.779 29.779 31.623 -1.844 19538 1357 1 3 . 1 1 38 38 GLU H H 38 8.175 8.175 8.452 -0.277 19538 1358 1 3 . 1 1 39 39 ARG N N 39 128.738 128.738 122.655 6.083 19538 1359 1 3 . 1 1 39 39 ARG HA H 39 4.260 4.260 4.382 -0.122 19538 1360 1 3 . 1 1 39 39 ARG CA C 39 55.343 55.343 55.236 0.106 19538 1361 1 3 . 1 1 39 39 ARG CB C 39 29.529 29.529 30.062 -0.533 19538 1362 1 3 . 1 1 39 39 ARG H H 39 8.920 8.920 8.546 0.374 19538 1363 1 3 . 1 1 40 40 LEU N N 40 127.659 127.659 125.534 2.125 19538 1364 1 3 . 1 1 40 40 LEU HA H 40 4.488 4.488 4.569 -0.081 19538 1365 1 3 . 1 1 40 40 LEU CA C 40 53.848 53.848 55.010 -1.162 19538 1366 1 3 . 1 1 40 40 LEU CB C 40 42.333 42.333 42.462 -0.129 19538 1367 1 3 . 1 1 40 40 LEU H H 40 8.670 8.670 8.476 0.194 19538 1368 1 3 . 1 1 41 41 LYS N N 41 121.136 121.136 124.250 -3.114 19538 1369 1 3 . 1 1 41 41 LYS HA H 41 4.647 4.647 4.745 -0.098 19538 1370 1 3 . 1 1 41 41 LYS CA C 41 55.062 55.062 55.131 -0.069 19538 1371 1 3 . 1 1 41 41 LYS CB C 41 35.064 35.064 36.709 -1.645 19538 1372 1 3 . 1 1 41 41 LYS H H 41 8.273 8.273 8.095 0.178 19538 1373 1 3 . 1 1 42 42 ALA N N 42 123.758 123.758 124.589 -0.831 19538 1374 1 3 . 1 1 42 42 ALA HA H 42 5.605 5.605 5.440 0.165 19538 1375 1 3 . 1 1 42 42 ALA CA C 42 50.529 50.529 50.993 -0.464 19538 1376 1 3 . 1 1 42 42 ALA CB C 42 22.577 22.577 22.131 0.446 19538 1377 1 3 . 1 1 42 42 ALA H H 42 8.488 8.488 8.493 -0.005 19538 1378 1 3 . 1 1 43 43 TYR N N 43 116.716 116.716 119.460 -2.744 19538 1379 1 3 . 1 1 43 43 TYR HA H 43 4.758 4.758 4.808 -0.050 19538 1380 1 3 . 1 1 43 43 TYR CA C 43 55.975 55.975 55.792 0.183 19538 1381 1 3 . 1 1 43 43 TYR CB C 43 38.409 38.409 39.590 -1.181 19538 1382 1 3 . 1 1 43 43 TYR H H 43 8.123 8.123 9.072 -0.949 19538 1383 1 3 . 1 1 44 44 GLY N N 44 106.591 106.591 106.889 -0.298 19538 1384 1 3 . 1 1 44 44 GLY CA C 44 45.172 45.172 45.227 -0.055 19538 1385 1 3 . 1 1 44 44 GLY H H 44 8.663 8.663 8.703 -0.040 19538 1386 1 3 . 1 1 45 45 GLU N N 45 118.850 118.850 124.414 -5.564 19538 1387 1 3 . 1 1 45 45 GLU HA H 45 4.310 4.310 4.338 -0.028 19538 1388 1 3 . 1 1 45 45 GLU CA C 45 56.286 56.286 56.981 -0.695 19538 1389 1 3 . 1 1 45 45 GLU CB C 45 31.304 31.304 29.778 1.526 19538 1390 1 3 . 1 1 45 45 GLU H H 45 8.287 8.287 8.618 -0.331 19538 1391 1 3 . 1 1 46 46 LEU N N 46 124.692 124.692 126.619 -1.927 19538 1392 1 3 . 1 1 46 46 LEU HA H 46 4.361 4.361 3.914 0.447 19538 1393 1 3 . 1 1 46 46 LEU CA C 46 54.967 54.967 57.617 -2.650 19538 1394 1 3 . 1 1 46 46 LEU CB C 46 41.980 41.980 41.297 0.683 19538 1395 1 3 . 1 1 46 46 LEU H H 46 9.010 9.010 9.134 -0.124 19538 1396 1 3 . 1 1 47 47 ILE N N 47 123.302 123.302 114.792 8.510 19538 1397 1 3 . 1 1 47 47 ILE HA H 47 4.272 4.272 4.019 0.253 19538 1398 1 3 . 1 1 47 47 ILE CA C 47 60.399 60.399 60.781 -0.382 19538 1399 1 3 . 1 1 47 47 ILE CB C 47 38.676 38.676 36.834 1.842 19538 1400 1 3 . 1 1 47 47 ILE H H 47 8.407 8.407 7.848 0.559 19538 1401 1 3 . 1 1 48 48 THR N N 48 117.749 117.749 114.811 2.938 19538 1402 1 3 . 1 1 48 48 THR HA H 48 4.330 4.330 3.890 0.440 19538 1403 1 3 . 1 1 48 48 THR CA C 48 61.234 61.234 64.856 -3.622 19538 1404 1 3 . 1 1 48 48 THR CB C 48 69.327 69.327 68.695 0.632 19538 1405 1 3 . 1 1 48 48 THR H H 48 8.183 8.183 7.413 0.770 19538 1406 1 3 . 1 1 49 49 ASN N N 49 120.102 120.102 116.756 3.346 19538 1407 1 3 . 1 1 49 49 ASN HA H 49 4.585 4.585 4.669 -0.084 19538 1408 1 3 . 1 1 49 49 ASN CA C 49 53.193 53.193 54.233 -1.040 19538 1409 1 3 . 1 1 49 49 ASN CB C 49 38.261 38.261 39.790 -1.529 19538 1410 1 3 . 1 1 49 49 ASN H H 49 8.418 8.418 8.410 0.008 19538 1411 1 3 . 1 1 50 50 ASP N N 50 119.783 119.783 120.154 -0.371 19538 1412 1 3 . 1 1 50 50 ASP HA H 50 4.454 4.454 4.540 -0.086 19538 1413 1 3 . 1 1 50 50 ASP CA C 50 53.950 53.950 55.938 -1.988 19538 1414 1 3 . 1 1 50 50 ASP CB C 50 41.231 41.231 40.726 0.505 19538 1415 1 3 . 1 1 50 50 ASP H H 50 8.096 8.096 8.520 -0.424 19538 1416 1 3 . 1 1 51 51 LYS N N 51 120.547 120.547 119.637 0.910 19538 1417 1 3 . 1 1 51 51 LYS HA H 51 4.017 4.017 4.315 -0.298 19538 1418 1 3 . 1 1 51 51 LYS CA C 51 56.633 56.633 57.432 -0.799 19538 1419 1 3 . 1 1 51 51 LYS CB C 51 32.052 32.052 33.206 -1.154 19538 1420 1 3 . 1 1 51 51 LYS H H 51 8.173 8.173 8.249 -0.076 19538 1421 1 3 . 1 1 52 52 TRP N N 52 120.062 120.062 117.081 2.981 19538 1422 1 3 . 1 1 52 52 TRP HA H 52 4.617 4.617 5.008 -0.391 19538 1423 1 3 . 1 1 52 52 TRP CA C 52 57.045 57.045 59.118 -2.073 19538 1424 1 3 . 1 1 52 52 TRP CB C 52 29.251 29.251 30.453 -1.202 19538 1425 1 3 . 1 1 52 52 TRP H H 52 8.094 8.094 7.999 0.095 19538 1426 1 3 . 1 1 53 53 THR N N 53 115.770 115.770 114.740 1.030 19538 1427 1 3 . 1 1 53 53 THR HA H 53 4.262 4.262 4.153 0.109 19538 1428 1 3 . 1 1 53 53 THR CA C 53 61.625 61.625 65.374 -3.749 19538 1429 1 3 . 1 1 53 53 THR CB C 53 69.153 69.153 68.281 0.872 19538 1430 1 3 . 1 1 53 53 THR H H 53 7.789 7.789 8.399 -0.610 19538 1431 1 3 . 1 1 54 54 ARG N N 54 122.136 122.136 120.484 1.652 19538 1432 1 3 . 1 1 54 54 ARG HA H 54 4.133 4.133 4.038 0.095 19538 1433 1 3 . 1 1 54 54 ARG CA C 54 56.038 56.038 58.781 -2.743 19538 1434 1 3 . 1 1 54 54 ARG CB C 54 30.441 30.441 29.549 0.892 19538 1435 1 3 . 1 1 54 54 ARG H H 54 8.191 8.191 8.248 -0.057 19538 1436 1 3 . 1 1 55 55 ASN N N 55 117.842 117.842 118.490 -0.648 19538 1437 1 3 . 1 1 55 55 ASN HA H 55 4.713 4.713 4.642 0.071 19538 1438 1 3 . 1 1 55 55 ASN CA C 55 52.873 52.873 53.080 -0.207 19538 1439 1 3 . 1 1 55 55 ASN CB C 55 38.769 38.769 37.345 1.424 19538 1440 1 3 . 1 1 55 55 ASN H H 55 8.205 8.205 8.876 -0.671 19538 1441 1 3 . 1 1 56 56 ARG N N 56 121.615 121.615 121.260 0.355 19538 1442 1 3 . 1 1 56 56 ARG HA H 56 4.542 4.542 4.103 0.439 19538 1443 1 3 . 1 1 56 56 ARG CA C 56 53.765 53.765 56.114 -2.349 19538 1444 1 3 . 1 1 56 56 ARG CB C 56 30.009 30.009 29.308 0.701 19538 1445 1 3 . 1 1 56 56 ARG H H 56 8.246 8.246 7.982 0.264 19538 1446 1 3 . 1 1 57 57 PRO HA H 57 4.273 4.273 4.444 -0.171 19538 1447 1 3 . 1 1 57 57 PRO CA C 57 62.424 62.424 62.813 -0.390 19538 1448 1 3 . 1 1 57 57 PRO CB C 57 31.987 31.987 32.374 -0.387 19538 1449 1 3 . 1 1 58 58 ILE N N 58 122.700 122.700 122.011 0.689 19538 1450 1 3 . 1 1 58 58 ILE HA H 58 4.089 4.089 3.846 0.243 19538 1451 1 3 . 1 1 58 58 ILE CA C 58 60.655 60.655 62.502 -1.847 19538 1452 1 3 . 1 1 58 58 ILE CB C 58 37.111 37.111 35.976 1.135 19538 1453 1 3 . 1 1 58 58 ILE H H 58 8.098 8.098 8.431 -0.333 19538 1454 1 3 . 1 1 59 59 VAL N N 59 124.097 124.097 120.314 3.783 19538 1455 1 3 . 1 1 59 59 VAL HA H 59 4.549 4.549 4.578 -0.029 19538 1456 1 3 . 1 1 59 59 VAL CA C 59 59.613 59.613 59.209 0.404 19538 1457 1 3 . 1 1 59 59 VAL CB C 59 34.980 34.980 35.235 -0.255 19538 1458 1 3 . 1 1 59 59 VAL H H 59 8.167 8.167 7.840 0.327 19538 1459 1 3 . 1 1 60 60 SER N N 60 119.752 119.752 116.237 3.515 19538 1460 1 3 . 1 1 60 60 SER HA H 60 5.136 5.136 5.511 -0.374 19538 1461 1 3 . 1 1 60 60 SER CA C 60 56.467 56.467 56.320 0.147 19538 1462 1 3 . 1 1 60 60 SER CB C 60 64.890 64.890 64.899 -0.009 19538 1463 1 3 . 1 1 60 60 SER H H 60 8.592 8.592 8.264 0.328 19538 1464 1 3 . 1 1 61 61 THR N N 61 117.559 117.559 117.340 0.219 19538 1465 1 3 . 1 1 61 61 THR HA H 61 4.576 4.576 4.227 0.349 19538 1466 1 3 . 1 1 61 61 THR CA C 61 61.348 61.348 62.361 -1.013 19538 1467 1 3 . 1 1 61 61 THR CB C 61 70.276 70.276 69.698 0.578 19538 1468 1 3 . 1 1 61 61 THR H H 61 9.214 9.214 9.182 0.032 19538 1469 1 3 . 1 1 62 62 LYS N N 62 123.743 123.743 126.706 -2.963 19538 1470 1 3 . 1 1 62 62 LYS HA H 62 5.507 5.507 4.585 0.922 19538 1471 1 3 . 1 1 62 62 LYS CA C 62 54.843 54.843 55.632 -0.789 19538 1472 1 3 . 1 1 62 62 LYS CB C 62 35.211 35.211 32.277 2.934 19538 1473 1 3 . 1 1 62 62 LYS H H 62 8.687 8.687 8.420 0.267 19538 1474 1 3 . 1 1 63 63 LYS N N 63 121.218 121.218 125.528 -4.310 19538 1475 1 3 . 1 1 63 63 LYS HA H 63 4.595 4.595 4.622 -0.027 19538 1476 1 3 . 1 1 63 63 LYS CA C 63 54.760 54.760 55.295 -0.535 19538 1477 1 3 . 1 1 63 63 LYS CB C 63 36.712 36.712 36.191 0.521 19538 1478 1 3 . 1 1 63 63 LYS H H 63 8.797 8.797 9.030 -0.233 19538 1479 1 3 . 1 1 64 64 LEU N N 64 124.605 124.605 127.085 -2.480 19538 1480 1 3 . 1 1 64 64 LEU HA H 64 4.920 4.920 4.693 0.227 19538 1481 1 3 . 1 1 64 64 LEU CA C 64 53.797 53.797 53.954 -0.157 19538 1482 1 3 . 1 1 64 64 LEU CB C 64 43.553 43.553 43.276 0.277 19538 1483 1 3 . 1 1 64 64 LEU H H 64 8.604 8.604 8.634 -0.030 19538 1484 1 3 . 1 1 65 65 ASP N N 65 122.577 122.577 126.830 -4.253 19538 1485 1 3 . 1 1 65 65 ASP HA H 65 4.664 4.664 5.088 -0.424 19538 1486 1 3 . 1 1 65 65 ASP CA C 65 51.824 51.824 52.441 -0.617 19538 1487 1 3 . 1 1 65 65 ASP CB C 65 41.277 41.277 43.410 -2.133 19538 1488 1 3 . 1 1 65 65 ASP H H 65 8.455 8.455 8.472 -0.017 19538 1489 1 3 . 1 1 66 66 LYS N N 66 117.718 117.718 119.788 -2.070 19538 1490 1 3 . 1 1 66 66 LYS HA H 66 4.052 4.052 3.929 0.123 19538 1491 1 3 . 1 1 66 66 LYS CA C 66 58.116 58.116 59.035 -0.919 19538 1492 1 3 . 1 1 66 66 LYS CB C 66 31.677 31.677 31.999 -0.322 19538 1493 1 3 . 1 1 66 66 LYS H H 66 8.339 8.339 8.727 -0.388 19538 1494 1 3 . 1 1 67 67 GLU N N 67 118.253 118.253 118.804 -0.551 19538 1495 1 3 . 1 1 67 67 GLU HA H 67 4.323 4.323 4.173 0.150 19538 1496 1 3 . 1 1 67 67 GLU CA C 67 56.018 56.018 57.005 -0.987 19538 1497 1 3 . 1 1 67 67 GLU CB C 67 29.587 29.587 29.683 -0.096 19538 1498 1 3 . 1 1 67 67 GLU H H 67 8.096 8.096 8.152 -0.056 19538 1499 1 3 . 1 1 68 68 GLY N N 68 107.960 107.960 106.752 1.208 19538 1500 1 3 . 1 1 68 68 GLY CA C 68 45.213 45.213 45.275 -0.062 19538 1501 1 3 . 1 1 68 68 GLY H H 68 8.168 8.168 8.638 -0.470 19538 1502 1 3 . 1 1 69 69 ARG N N 69 121.436 121.436 118.777 2.659 19538 1503 1 3 . 1 1 69 69 ARG HA H 69 4.482 4.482 4.695 -0.213 19538 1504 1 3 . 1 1 69 69 ARG CA C 69 54.229 54.229 53.871 0.358 19538 1505 1 3 . 1 1 69 69 ARG CB C 69 30.399 30.399 32.123 -1.724 19538 1506 1 3 . 1 1 69 69 ARG H H 69 8.590 8.590 7.362 1.228 19538 1507 1 3 . 1 1 70 70 THR N N 70 120.709 120.709 121.371 -0.662 19538 1508 1 3 . 1 1 70 70 THR HA H 70 4.298 4.298 4.417 -0.119 19538 1509 1 3 . 1 1 70 70 THR CA C 70 64.365 64.365 63.922 0.443 19538 1510 1 3 . 1 1 70 70 THR CB C 70 68.832 68.832 69.086 -0.254 19538 1511 1 3 . 1 1 70 70 THR H H 70 8.822 8.822 8.837 -0.015 19538 1512 1 3 . 1 1 71 71 HIS N N 71 127.496 127.496 127.075 0.421 19538 1513 1 3 . 1 1 71 71 HIS HA H 71 5.138 5.138 4.914 0.224 19538 1514 1 3 . 1 1 71 71 HIS CA C 71 53.948 53.948 55.324 -1.376 19538 1515 1 3 . 1 1 71 71 HIS CB C 71 31.791 31.791 32.302 -0.511 19538 1516 1 3 . 1 1 71 71 HIS H H 71 9.384 9.384 9.775 -0.391 19538 1517 1 3 . 1 1 72 72 HIS N N 72 121.684 121.684 125.629 -3.945 19538 1518 1 3 . 1 1 72 72 HIS HA H 72 5.094 5.094 5.195 -0.101 19538 1519 1 3 . 1 1 72 72 HIS CA C 72 54.390 54.390 54.543 -0.153 19538 1520 1 3 . 1 1 72 72 HIS CB C 72 33.961 33.961 31.266 2.695 19538 1521 1 3 . 1 1 72 72 HIS H H 72 9.076 9.076 9.474 -0.398 19538 1522 1 3 . 1 1 73 73 TYR N N 73 121.287 121.287 125.249 -3.962 19538 1523 1 3 . 1 1 73 73 TYR HA H 73 5.305 5.305 4.959 0.346 19538 1524 1 3 . 1 1 73 73 TYR CA C 73 56.017 56.017 57.659 -1.642 19538 1525 1 3 . 1 1 73 73 TYR CB C 73 39.479 39.479 40.355 -0.876 19538 1526 1 3 . 1 1 73 73 TYR H H 73 9.305 9.305 8.727 0.578 19538 1527 1 3 . 1 1 74 74 MET N N 74 124.078 124.078 123.638 0.440 19538 1528 1 3 . 1 1 74 74 MET HA H 74 4.867 4.867 5.266 -0.399 19538 1529 1 3 . 1 1 74 74 MET CA C 74 54.701 54.701 54.947 -0.246 19538 1530 1 3 . 1 1 74 74 MET CB C 74 38.007 38.007 37.457 0.550 19538 1531 1 3 . 1 1 74 74 MET H H 74 8.761 8.761 9.203 -0.442 19538 1532 1 3 . 1 1 75 75 ARG N N 75 123.962 123.962 122.792 1.170 19538 1533 1 3 . 1 1 75 75 ARG HA H 75 5.471 5.471 5.357 0.114 19538 1534 1 3 . 1 1 75 75 ARG CA C 75 53.340 53.340 54.415 -1.075 19538 1535 1 3 . 1 1 75 75 ARG CB C 75 34.441 34.441 33.447 0.994 19538 1536 1 3 . 1 1 75 75 ARG H H 75 8.427 8.427 8.653 -0.226 19538 1537 1 3 . 1 1 76 76 PHE N N 76 114.935 114.935 115.657 -0.722 19538 1538 1 3 . 1 1 76 76 PHE HA H 76 4.621 4.621 4.862 -0.241 19538 1539 1 3 . 1 1 76 76 PHE CA C 76 55.856 55.856 56.190 -0.334 19538 1540 1 3 . 1 1 76 76 PHE CB C 76 39.167 39.167 41.509 -2.342 19538 1541 1 3 . 1 1 76 76 PHE H H 76 8.296 8.296 8.684 -0.388 19538 1542 1 3 . 1 1 77 77 HIS N N 77 117.830 117.830 120.589 -2.759 19538 1543 1 3 . 1 1 77 77 HIS HA H 77 5.451 5.451 5.446 0.005 19538 1544 1 3 . 1 1 77 77 HIS CA C 77 54.767 54.767 55.440 -0.673 19538 1545 1 3 . 1 1 77 77 HIS CB C 77 31.102 31.102 32.202 -1.100 19538 1546 1 3 . 1 1 77 77 HIS H H 77 9.190 9.190 9.264 -0.074 19538 1547 1 3 . 1 1 78 78 VAL N N 78 114.372 114.372 117.912 -3.540 19538 1548 1 3 . 1 1 78 78 VAL HA H 78 5.110 5.110 5.227 -0.117 19538 1549 1 3 . 1 1 78 78 VAL CA C 78 59.653 59.653 59.118 0.535 19538 1550 1 3 . 1 1 78 78 VAL CB C 78 35.073 35.073 35.830 -0.756 19538 1551 1 3 . 1 1 78 78 VAL H H 78 7.860 7.860 9.530 -1.670 19538 1552 1 3 . 1 1 79 79 GLU N N 79 126.076 126.076 123.214 2.862 19538 1553 1 3 . 1 1 79 79 GLU HA H 79 5.400 5.400 4.804 0.596 19538 1554 1 3 . 1 1 79 79 GLU CA C 79 54.316 54.316 55.359 -1.043 19538 1555 1 3 . 1 1 79 79 GLU CB C 79 34.060 34.060 32.133 1.927 19538 1556 1 3 . 1 1 79 79 GLU H H 79 9.213 9.213 9.152 0.061 19538 1557 1 3 . 1 1 80 80 SER N N 80 124.627 124.627 122.531 2.096 19538 1558 1 3 . 1 1 80 80 SER HA H 80 4.892 4.892 4.576 0.316 19538 1559 1 3 . 1 1 80 80 SER CA C 80 54.930 54.930 57.241 -2.311 19538 1560 1 3 . 1 1 80 80 SER CB C 80 67.503 67.503 63.924 3.579 19538 1561 1 3 . 1 1 80 80 SER H H 80 9.464 9.464 9.350 0.114 19538 1562 1 3 . 1 1 81 81 LYS N N 81 119.240 119.240 120.632 -1.392 19538 1563 1 3 . 1 1 81 81 LYS HA H 81 4.000 4.000 4.175 -0.175 19538 1564 1 3 . 1 1 81 81 LYS CA C 81 59.099 59.099 58.629 0.470 19538 1565 1 3 . 1 1 81 81 LYS CB C 81 31.721 31.721 32.347 -0.626 19538 1566 1 3 . 1 1 81 81 LYS H H 81 10.052 10.052 8.478 1.574 19538 1567 1 3 . 1 1 82 82 LYS N N 82 114.688 114.688 114.511 0.177 19538 1568 1 3 . 1 1 82 82 LYS HA H 82 4.365 4.365 4.416 -0.051 19538 1569 1 3 . 1 1 82 82 LYS CA C 82 56.211 56.211 55.972 0.239 19538 1570 1 3 . 1 1 82 82 LYS CB C 82 36.484 36.484 34.438 2.046 19538 1571 1 3 . 1 1 82 82 LYS H H 82 7.782 7.782 7.821 -0.039 19538 1572 1 3 . 1 1 83 83 LYS N N 83 118.992 118.992 119.002 -0.010 19538 1573 1 3 . 1 1 83 83 LYS HA H 83 4.749 4.749 4.665 0.084 19538 1574 1 3 . 1 1 83 83 LYS CA C 83 53.590 53.590 54.596 -1.006 19538 1575 1 3 . 1 1 83 83 LYS CB C 83 39.218 39.218 36.467 2.751 19538 1576 1 3 . 1 1 83 83 LYS H H 83 7.962 7.962 7.814 0.148 19538 1577 1 3 . 1 1 84 84 ILE N N 84 118.513 118.513 120.659 -2.146 19538 1578 1 3 . 1 1 84 84 ILE HA H 84 4.556 4.556 4.679 -0.123 19538 1579 1 3 . 1 1 84 84 ILE CA C 84 60.643 60.643 60.545 0.098 19538 1580 1 3 . 1 1 84 84 ILE CB C 84 39.946 39.946 39.010 0.936 19538 1581 1 3 . 1 1 84 84 ILE H H 84 7.927 7.927 8.544 -0.617 19538 1582 1 3 . 1 1 85 85 ALA N N 85 127.327 127.327 129.717 -2.390 19538 1583 1 3 . 1 1 85 85 ALA HA H 85 5.048 5.048 5.190 -0.142 19538 1584 1 3 . 1 1 85 85 ALA CA C 85 49.316 49.316 49.747 -0.431 19538 1585 1 3 . 1 1 85 85 ALA CB C 85 24.205 24.205 22.958 1.247 19538 1586 1 3 . 1 1 85 85 ALA H H 85 9.211 9.211 9.282 -0.071 19538 1587 1 3 . 1 1 86 86 LEU N N 86 122.978 122.978 122.099 0.879 19538 1588 1 3 . 1 1 86 86 LEU HA H 86 4.554 4.554 4.460 0.094 19538 1589 1 3 . 1 1 86 86 LEU CA C 86 53.671 53.671 53.594 0.076 19538 1590 1 3 . 1 1 86 86 LEU CB C 86 44.396 44.396 45.170 -0.774 19538 1591 1 3 . 1 1 86 86 LEU H H 86 8.312 8.312 9.194 -0.882 19538 1592 1 3 . 1 1 87 87 VAL N N 87 127.511 127.511 126.273 1.238 19538 1593 1 3 . 1 1 87 87 VAL HA H 87 4.244 4.244 4.429 -0.185 19538 1594 1 3 . 1 1 87 87 VAL CA C 87 60.226 60.226 60.551 -0.325 19538 1595 1 3 . 1 1 87 87 VAL CB C 87 31.609 31.609 33.230 -1.621 19538 1596 1 3 . 1 1 87 87 VAL H H 87 9.017 9.017 9.039 -0.022 19538 1597 1 3 . 1 1 88 88 HIS N N 88 124.227 124.227 127.468 -3.241 19538 1598 1 3 . 1 1 88 88 HIS HA H 88 4.687 4.687 4.724 -0.037 19538 1599 1 3 . 1 1 88 88 HIS CA C 88 54.314 54.314 53.265 1.049 19538 1600 1 3 . 1 1 88 88 HIS CB C 88 33.245 33.245 31.558 1.687 19538 1601 1 3 . 1 1 88 88 HIS H H 88 8.104 8.104 8.800 -0.696 19538 1602 1 3 . 1 1 89 89 LEU N N 89 121.992 121.992 129.466 -7.474 19538 1603 1 3 . 1 1 89 89 LEU HA H 89 5.050 5.050 5.083 -0.033 19538 1604 1 3 . 1 1 89 89 LEU CA C 89 52.983 52.983 54.157 -1.174 19538 1605 1 3 . 1 1 89 89 LEU CB C 89 46.355 46.355 46.038 0.317 19538 1606 1 3 . 1 1 89 89 LEU H H 89 8.600 8.600 9.497 -0.897 19538 1607 1 3 . 1 1 90 90 GLU N N 90 121.551 121.551 126.708 -5.157 19538 1608 1 3 . 1 1 90 90 GLU HA H 90 5.253 5.253 5.648 -0.395 19538 1609 1 3 . 1 1 90 90 GLU CA C 90 53.422 53.422 54.733 -1.311 19538 1610 1 3 . 1 1 90 90 GLU CB C 90 33.238 33.238 33.123 0.115 19538 1611 1 3 . 1 1 90 90 GLU H H 90 8.816 8.816 9.568 -0.752 19538 1612 1 3 . 1 1 91 91 ALA N N 91 128.266 128.266 127.735 0.531 19538 1613 1 3 . 1 1 91 91 ALA HA H 91 5.385 5.385 5.567 -0.182 19538 1614 1 3 . 1 1 91 91 ALA CA C 91 49.164 49.164 49.860 -0.696 19538 1615 1 3 . 1 1 91 91 ALA CB C 91 23.227 23.227 23.436 -0.209 19538 1616 1 3 . 1 1 91 91 ALA H H 91 9.287 9.287 9.220 0.067 19538 1617 1 3 . 1 1 92 92 LYS N N 92 121.573 121.573 118.328 3.245 19538 1618 1 3 . 1 1 92 92 LYS HA H 92 4.884 4.884 5.209 -0.325 19538 1619 1 3 . 1 1 92 92 LYS CA C 92 54.365 54.365 54.339 0.026 19538 1620 1 3 . 1 1 92 92 LYS CB C 92 36.427 36.427 35.572 0.855 19538 1621 1 3 . 1 1 92 92 LYS H H 92 9.160 9.160 8.881 0.279 19538 1622 1 3 . 1 1 93 93 GLU N N 93 127.022 127.022 125.397 1.625 19538 1623 1 3 . 1 1 93 93 GLU HA H 93 4.145 4.145 4.252 -0.107 19538 1624 1 3 . 1 1 93 93 GLU CA C 93 56.227 56.227 56.341 -0.114 19538 1625 1 3 . 1 1 93 93 GLU CB C 93 30.986 30.986 29.760 1.226 19538 1626 1 3 . 1 1 93 93 GLU H H 93 8.525 8.525 9.180 -0.655 19538 1627 1 3 . 1 1 94 94 SER N N 94 120.676 120.676 121.576 -0.900 19538 1628 1 3 . 1 1 94 94 SER HA H 94 4.416 4.416 4.252 0.164 19538 1629 1 3 . 1 1 94 94 SER CA C 94 57.241 57.241 58.835 -1.594 19538 1630 1 3 . 1 1 94 94 SER CB C 94 63.634 63.634 63.797 -0.163 19538 1631 1 3 . 1 1 94 94 SER H H 94 8.877 8.877 8.422 0.455 19538 1632 1 3 . 1 1 95 95 LYS HA H 95 4.212 4.212 4.144 0.068 19538 1633 1 3 . 1 1 95 95 LYS CA C 95 56.036 56.036 58.525 -2.489 19538 1634 1 3 . 1 1 95 95 LYS CB C 95 33.113 33.113 32.106 1.006 19538 1635 1 3 . 1 1 96 96 GLN N N 96 118.641 118.641 116.253 2.388 19538 1636 1 3 . 1 1 96 96 GLN HA H 96 4.140 4.140 4.318 -0.178 19538 1637 1 3 . 1 1 96 96 GLN CA C 96 56.338 56.338 55.628 0.710 19538 1638 1 3 . 1 1 96 96 GLN CB C 96 28.958 28.958 29.059 -0.101 19538 1639 1 3 . 1 1 96 96 GLN H H 96 8.335 8.335 7.970 0.365 19538 1640 1 3 . 1 1 97 97 ASN N N 97 116.545 116.545 118.056 -1.511 19538 1641 1 3 . 1 1 97 97 ASN HA H 97 4.511 4.511 4.536 -0.025 19538 1642 1 3 . 1 1 97 97 ASN CA C 97 53.163 53.163 53.145 0.018 19538 1643 1 3 . 1 1 97 97 ASN CB C 97 38.370 38.370 39.183 -0.813 19538 1644 1 3 . 1 1 97 97 ASN H H 97 8.199 8.199 7.905 0.294 19538 1645 1 3 . 1 1 98 98 TYR N N 98 119.134 119.134 121.586 -2.452 19538 1646 1 3 . 1 1 98 98 TYR HA H 98 4.482 4.482 4.211 0.271 19538 1647 1 3 . 1 1 98 98 TYR CA C 98 57.458 57.458 60.259 -2.801 19538 1648 1 3 . 1 1 98 98 TYR CB C 98 38.539 38.539 38.535 0.004 19538 1649 1 3 . 1 1 98 98 TYR H H 98 7.918 7.918 8.551 -0.633 19538 1650 1 3 . 1 1 99 99 GLN N N 99 119.975 119.975 115.943 4.032 19538 1651 1 3 . 1 1 99 99 GLN HA H 99 4.440 4.440 4.757 -0.317 19538 1652 1 3 . 1 1 99 99 GLN CA C 99 53.092 53.092 52.708 0.384 19538 1653 1 3 . 1 1 99 99 GLN CB C 99 27.891 27.891 29.968 -2.077 19538 1654 1 3 . 1 1 99 99 GLN H H 99 7.992 7.992 8.632 -0.640 19538 1655 1 3 . 1 1 100 100 PRO HA H 100 4.294 4.294 4.425 -0.131 19538 1656 1 3 . 1 1 100 100 PRO CA C 100 62.415 62.415 62.160 0.255 19538 1657 1 3 . 1 1 100 100 PRO CB C 100 32.538 32.538 32.078 0.460 19538 1658 1 3 . 1 1 101 101 ASP N N 101 120.964 120.964 121.231 -0.267 19538 1659 1 3 . 1 1 101 101 ASP HA H 101 4.654 4.654 4.425 0.229 19538 1660 1 3 . 1 1 101 101 ASP CA C 101 52.845 52.845 54.371 -1.526 19538 1661 1 3 . 1 1 101 101 ASP CB C 101 42.316 42.316 41.668 0.648 19538 1662 1 3 . 1 1 101 101 ASP H H 101 8.225 8.225 8.552 -0.327 19538 1663 1 3 . 1 1 102 102 PHE N N 102 122.913 122.913 121.052 1.861 19538 1664 1 3 . 1 1 102 102 PHE HA H 102 4.642 4.642 4.704 -0.062 19538 1665 1 3 . 1 1 102 102 PHE CA C 102 57.341 57.341 57.569 -0.228 19538 1666 1 3 . 1 1 102 102 PHE CB C 102 38.576 38.576 37.943 0.633 19538 1667 1 3 . 1 1 102 102 PHE H H 102 9.014 9.014 8.229 0.785 19538 1668 1 3 . 1 1 103 103 ILE N N 103 117.131 117.131 123.945 -6.814 19538 1669 1 3 . 1 1 103 103 ILE HA H 103 4.464 4.464 3.772 0.692 19538 1670 1 3 . 1 1 103 103 ILE CA C 103 60.346 60.346 63.900 -3.554 19538 1671 1 3 . 1 1 103 103 ILE CB C 103 39.243 39.243 38.443 0.800 19538 1672 1 3 . 1 1 103 103 ILE H H 103 8.765 8.765 8.008 0.757 19538 1673 1 3 . 1 1 104 104 ASN N N 104 117.264 117.264 115.849 1.415 19538 1674 1 3 . 1 1 104 104 ASN HA H 104 4.913 4.913 5.108 -0.195 19538 1675 1 3 . 1 1 104 104 ASN CA C 104 52.710 52.710 52.820 -0.110 19538 1676 1 3 . 1 1 104 104 ASN CB C 104 41.361 41.361 42.078 -0.717 19538 1677 1 3 . 1 1 104 104 ASN H H 104 7.441 7.441 8.224 -0.783 19538 1678 1 3 . 1 1 105 105 MET N N 105 125.685 125.685 122.365 3.320 19538 1679 1 3 . 1 1 105 105 MET HA H 105 5.484 5.484 5.505 -0.021 19538 1680 1 3 . 1 1 105 105 MET CA C 105 56.071 56.071 54.800 1.270 19538 1681 1 3 . 1 1 105 105 MET CB C 105 34.514 34.514 35.809 -1.295 19538 1682 1 3 . 1 1 105 105 MET H H 105 9.244 9.244 9.318 -0.074 19538 1683 1 3 . 1 1 106 106 TYR N N 106 125.856 125.856 119.897 5.959 19538 1684 1 3 . 1 1 106 106 TYR HA H 106 5.438 5.438 5.383 0.055 19538 1685 1 3 . 1 1 106 106 TYR CA C 106 54.552 54.552 55.437 -0.885 19538 1686 1 3 . 1 1 106 106 TYR CB C 106 40.104 40.104 40.841 -0.737 19538 1687 1 3 . 1 1 106 106 TYR H H 106 8.893 8.893 8.710 0.183 19538 1688 1 3 . 1 1 107 107 VAL N N 107 117.033 117.033 120.137 -3.104 19538 1689 1 3 . 1 1 107 107 VAL HA H 107 4.957 4.957 4.682 0.275 19538 1690 1 3 . 1 1 107 107 VAL CA C 107 60.008 60.008 60.969 -0.962 19538 1691 1 3 . 1 1 107 107 VAL CB C 107 35.319 35.319 34.486 0.833 19538 1692 1 3 . 1 1 107 107 VAL H H 107 9.041 9.041 9.365 -0.324 19538 1693 1 3 . 1 1 108 108 ASP N N 108 129.995 129.995 129.395 0.600 19538 1694 1 3 . 1 1 108 108 ASP HA H 108 5.240 5.240 5.032 0.208 19538 1695 1 3 . 1 1 108 108 ASP CA C 108 52.975 52.975 52.602 0.373 19538 1696 1 3 . 1 1 108 108 ASP CB C 108 42.245 42.245 42.507 -0.262 19538 1697 1 3 . 1 1 108 108 ASP H H 108 9.382 9.382 9.427 -0.045 19538 1698 1 3 . 1 1 109 109 VAL N N 109 129.641 129.641 126.206 3.435 19538 1699 1 3 . 1 1 109 109 VAL HA H 109 4.464 4.464 4.475 -0.011 19538 1700 1 3 . 1 1 109 109 VAL CA C 109 58.694 58.694 57.952 0.742 19538 1701 1 3 . 1 1 109 109 VAL CB C 109 33.061 33.061 34.007 -0.946 19538 1702 1 3 . 1 1 109 109 VAL H H 109 9.181 9.181 8.234 0.947 19538 1703 1 3 . 1 1 110 110 PRO HA H 110 4.288 4.288 4.488 -0.200 19538 1704 1 3 . 1 1 110 110 PRO CA C 110 64.107 64.107 63.270 0.837 19538 1705 1 3 . 1 1 110 110 PRO CB C 110 31.557 31.557 32.528 -0.971 19538 1706 1 3 . 1 1 111 111 GLY N N 111 112.873 112.873 111.835 1.038 19538 1707 1 3 . 1 1 111 111 GLY CA C 111 44.872 44.872 45.969 -1.097 19538 1708 1 3 . 1 1 111 111 GLY H H 111 8.839 8.839 8.783 0.056 19538 1709 1 3 . 1 1 112 112 GLU N N 112 118.157 118.157 121.823 -3.666 19538 1710 1 3 . 1 1 112 112 GLU HA H 112 4.858 4.858 4.555 0.303 19538 1711 1 3 . 1 1 112 112 GLU CA C 112 52.732 52.732 54.984 -2.252 19538 1712 1 3 . 1 1 112 112 GLU CB C 112 31.513 31.513 30.952 0.561 19538 1713 1 3 . 1 1 112 112 GLU H H 112 8.136 8.136 8.233 -0.097 19538 1714 1 3 . 1 1 113 113 LYS N N 113 121.944 121.944 121.574 0.370 19538 1715 1 3 . 1 1 113 113 LYS HA H 113 4.208 4.208 4.315 -0.107 19538 1716 1 3 . 1 1 113 113 LYS CA C 113 55.810 55.810 56.115 -0.305 19538 1717 1 3 . 1 1 113 113 LYS CB C 113 32.157 32.157 32.911 -0.754 19538 1718 1 3 . 1 1 113 113 LYS H H 113 8.847 8.847 8.425 0.422 19538 1719 1 3 . 1 1 114 114 ARG N N 114 126.520 126.520 120.503 6.017 19538 1720 1 3 . 1 1 114 114 ARG HA H 114 4.064 4.064 4.503 -0.439 19538 1721 1 3 . 1 1 114 114 ARG CA C 114 57.914 57.914 56.541 1.373 19538 1722 1 3 . 1 1 114 114 ARG CB C 114 30.627 30.627 31.051 -0.424 19538 1723 1 3 . 1 1 114 114 ARG H H 114 8.539 8.539 8.270 0.269 19538 1724 1 3 . 1 1 115 115 TYR N N 115 128.478 128.478 125.579 2.899 19538 1725 1 3 . 1 1 115 115 TYR HA H 115 4.671 4.671 4.874 -0.203 19538 1726 1 3 . 1 1 115 115 TYR CA C 115 56.519 56.519 56.646 -0.127 19538 1727 1 3 . 1 1 115 115 TYR CB C 115 40.193 40.193 42.145 -1.952 19538 1728 1 3 . 1 1 115 115 TYR H H 115 8.333 8.333 9.291 -0.958 19538 1729 1 3 . 1 1 116 116 TYR N N 116 127.101 127.101 127.714 -0.613 19538 1730 1 3 . 1 1 116 116 TYR HA H 116 4.553 4.553 4.625 -0.072 19538 1731 1 3 . 1 1 116 116 TYR CA C 116 58.502 58.502 58.648 -0.146 19538 1732 1 3 . 1 1 116 116 TYR CB C 116 38.842 38.842 37.069 1.773 19538 1733 1 3 . 1 1 116 116 TYR H H 116 8.740 8.740 8.744 -0.004 19538 1734 1 3 . 1 1 117 117 LEU N N 117 125.574 125.574 124.591 0.983 19538 1735 1 3 . 1 1 117 117 LEU HA H 117 4.394 4.394 4.375 0.019 19538 1736 1 3 . 1 1 117 117 LEU CA C 117 57.384 57.384 56.810 0.574 19538 1737 1 3 . 1 1 117 117 LEU CB C 117 43.272 43.272 42.914 0.357 19538 1738 1 3 . 1 1 117 117 LEU H H 117 8.427 8.427 8.200 0.227 19538 1739 1 3 . 1 1 118 118 ILE N N 118 118.478 118.478 118.710 -0.232 19538 1740 1 3 . 1 1 118 118 ILE HA H 118 4.199 4.199 4.311 -0.112 19538 1741 1 3 . 1 1 118 118 ILE CA C 118 60.074 60.074 60.347 -0.273 19538 1742 1 3 . 1 1 118 118 ILE CB C 118 40.895 40.895 39.995 0.900 19538 1743 1 3 . 1 1 118 118 ILE H H 118 7.983 7.983 8.634 -0.651 19538 1744 1 3 . 1 1 119 119 LYS N N 119 127.589 127.589 128.966 -1.377 19538 1745 1 3 . 1 1 119 119 LYS HA H 119 4.778 4.778 4.695 0.083 19538 1746 1 3 . 1 1 119 119 LYS CA C 119 53.232 53.232 53.547 -0.315 19538 1747 1 3 . 1 1 119 119 LYS CB C 119 32.581 32.581 31.519 1.062 19538 1748 1 3 . 1 1 119 119 LYS H H 119 8.550 8.550 8.609 -0.059 19538 1749 1 3 . 1 1 120 120 PRO HA H 120 4.534 4.534 4.632 -0.098 19538 1750 1 3 . 1 1 120 120 PRO CA C 120 62.395 62.395 61.802 0.593 19538 1751 1 3 . 1 1 120 120 PRO CB C 120 32.059 32.059 32.399 -0.340 19538 1752 1 3 . 1 1 121 121 LYS N N 121 122.191 122.191 119.860 2.331 19538 1753 1 3 . 1 1 121 121 LYS HA H 121 4.136 4.136 4.144 -0.008 19538 1754 1 3 . 1 1 121 121 LYS CA C 121 55.840 55.840 55.866 -0.026 19538 1755 1 3 . 1 1 121 121 LYS CB C 121 33.162 33.162 29.485 3.677 19538 1756 1 3 . 1 1 121 121 LYS H H 121 8.406 8.406 8.479 -0.073 19538 1757 1 3 . 1 1 122 122 LEU N N 122 122.972 122.972 121.262 1.710 19538 1758 1 3 . 1 1 122 122 LEU HA H 122 4.219 4.219 4.055 0.164 19538 1759 1 3 . 1 1 122 122 LEU CA C 122 54.494 54.494 55.263 -0.769 19538 1760 1 3 . 1 1 122 122 LEU CB C 122 41.990 41.990 42.429 -0.439 19538 1761 1 3 . 1 1 122 122 LEU H H 122 8.158 8.158 8.128 0.030 19538 1762 1 3 . 1 1 123 123 HIS N N 123 121.608 121.608 120.794 0.814 19538 1763 1 3 . 1 1 123 123 HIS HA H 123 4.776 4.776 4.734 0.042 19538 1764 1 3 . 1 1 123 123 HIS CA C 123 53.651 53.651 51.922 1.729 19538 1765 1 3 . 1 1 123 123 HIS CB C 123 30.145 30.145 28.942 1.203 19538 1766 1 3 . 1 1 123 123 HIS H H 123 8.172 8.172 7.662 0.510 19538 1767 1 3 . 1 1 124 124 PRO HA H 124 4.085 4.085 4.413 -0.328 19538 1768 1 3 . 1 1 124 124 PRO CA C 124 62.119 62.119 62.358 -0.239 19538 1769 1 3 . 1 1 124 124 PRO CB C 124 33.900 33.900 32.722 1.178 19538 1770 1 3 . 1 1 125 125 VAL N N 125 120.758 120.758 117.924 2.834 19538 1771 1 3 . 1 1 125 125 VAL HA H 125 4.085 4.085 3.768 0.317 19538 1772 1 3 . 1 1 125 125 VAL CA C 125 61.791 61.791 64.379 -2.588 19538 1773 1 3 . 1 1 125 125 VAL CB C 125 32.635 32.635 31.556 1.079 19538 1774 1 3 . 1 1 125 125 VAL H H 125 8.361 8.361 8.238 0.123 19538 1775 1 3 . 1 1 126 126 SER N N 126 119.450 119.450 116.694 2.756 19538 1776 1 3 . 1 1 126 126 SER HA H 126 4.417 4.417 4.447 -0.030 19538 1777 1 3 . 1 1 126 126 SER CA C 126 57.522 57.522 59.161 -1.639 19538 1778 1 3 . 1 1 126 126 SER CB C 126 63.634 63.634 63.673 -0.039 19538 1779 1 3 . 1 1 126 126 SER H H 126 8.323 8.323 7.991 0.332 19538 1780 1 4 . 1 1 2 2 ALA N N 2 122.815 122.815 124.135 -1.320 19538 1781 1 4 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.202 0.091 19538 1782 1 4 . 1 1 2 2 ALA CA C 2 52.085 52.085 53.159 -1.074 19538 1783 1 4 . 1 1 2 2 ALA CB C 2 19.067 19.067 19.249 -0.182 19538 1784 1 4 . 1 1 2 2 ALA H H 2 8.102 8.102 8.223 -0.121 19538 1785 1 4 . 1 1 3 3 MET N N 3 119.897 119.897 115.323 4.574 19538 1786 1 4 . 1 1 3 3 MET HA H 3 4.401 4.401 4.124 0.277 19538 1787 1 4 . 1 1 3 3 MET CA C 3 55.339 55.339 55.788 -0.450 19538 1788 1 4 . 1 1 3 3 MET CB C 3 32.938 32.938 30.632 2.306 19538 1789 1 4 . 1 1 3 3 MET H H 3 8.501 8.501 8.499 0.002 19538 1790 1 4 . 1 1 4 4 GLY N N 4 110.174 110.174 103.737 6.437 19538 1791 1 4 . 1 1 4 4 GLY CA C 4 44.706 44.706 45.628 -0.922 19538 1792 1 4 . 1 1 4 4 GLY H H 4 8.498 8.498 8.618 -0.120 19538 1793 1 4 . 1 1 5 5 SER HA H 5 4.368 4.368 4.045 0.323 19538 1794 1 4 . 1 1 5 5 SER CA C 5 58.467 58.467 59.385 -0.918 19538 1795 1 4 . 1 1 5 5 SER CB C 5 63.530 63.530 60.965 2.565 19538 1796 1 4 . 1 1 6 6 GLY CA C 6 45.983 45.983 47.592 -1.609 19538 1797 1 4 . 1 1 7 7 ASP N N 7 122.649 122.649 121.935 0.714 19538 1798 1 4 . 1 1 7 7 ASP HA H 7 4.375 4.375 4.546 -0.171 19538 1799 1 4 . 1 1 7 7 ASP CA C 7 56.523 56.523 57.642 -1.119 19538 1800 1 4 . 1 1 7 7 ASP CB C 7 40.235 40.235 40.171 0.064 19538 1801 1 4 . 1 1 7 7 ASP H H 7 8.457 8.457 8.088 0.369 19538 1802 1 4 . 1 1 8 8 THR N N 8 116.751 116.751 117.179 -0.428 19538 1803 1 4 . 1 1 8 8 THR HA H 8 3.853 3.853 4.014 -0.161 19538 1804 1 4 . 1 1 8 8 THR CA C 8 66.104 66.104 67.702 -1.598 19538 1805 1 4 . 1 1 8 8 THR CB C 8 68.047 68.047 68.630 -0.583 19538 1806 1 4 . 1 1 8 8 THR H H 8 8.128 8.128 8.346 -0.218 19538 1807 1 4 . 1 1 9 9 GLN N N 9 120.186 120.186 121.201 -1.015 19538 1808 1 4 . 1 1 9 9 GLN HA H 9 4.038 4.038 4.124 -0.086 19538 1809 1 4 . 1 1 9 9 GLN CA C 9 58.699 58.699 59.509 -0.810 19538 1810 1 4 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.793 -0.693 19538 1811 1 4 . 1 1 9 9 GLN H H 9 7.831 7.831 8.697 -0.866 19538 1812 1 4 . 1 1 10 10 LEU N N 10 120.735 120.735 120.308 0.427 19538 1813 1 4 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.192 -0.275 19538 1814 1 4 . 1 1 10 10 LEU CA C 10 58.126 58.126 58.326 -0.200 19538 1815 1 4 . 1 1 10 10 LEU CB C 10 41.935 41.935 41.726 0.209 19538 1816 1 4 . 1 1 10 10 LEU H H 10 7.670 7.670 9.123 -1.453 19538 1817 1 4 . 1 1 11 11 PHE N N 11 117.802 117.802 120.878 -3.076 19538 1818 1 4 . 1 1 11 11 PHE HA H 11 3.821 3.821 3.913 -0.092 19538 1819 1 4 . 1 1 11 11 PHE CA C 11 60.224 60.224 61.432 -1.208 19538 1820 1 4 . 1 1 11 11 PHE CB C 11 38.798 38.798 38.947 -0.149 19538 1821 1 4 . 1 1 11 11 PHE H H 11 7.939 7.939 9.182 -1.243 19538 1822 1 4 . 1 1 12 12 ASN N N 12 117.152 117.152 118.391 -1.239 19538 1823 1 4 . 1 1 12 12 ASN HA H 12 3.868 3.868 4.015 -0.147 19538 1824 1 4 . 1 1 12 12 ASN CA C 12 55.410 55.410 56.559 -1.149 19538 1825 1 4 . 1 1 12 12 ASN CB C 12 37.188 37.188 38.054 -0.866 19538 1826 1 4 . 1 1 12 12 ASN H H 12 8.562 8.562 8.451 0.111 19538 1827 1 4 . 1 1 13 13 ARG N N 13 119.825 119.825 121.225 -1.400 19538 1828 1 4 . 1 1 13 13 ARG HA H 13 3.914 3.914 3.980 -0.066 19538 1829 1 4 . 1 1 13 13 ARG CA C 13 58.623 58.623 59.696 -1.073 19538 1830 1 4 . 1 1 13 13 ARG CB C 13 31.719 31.719 30.207 1.512 19538 1831 1 4 . 1 1 13 13 ARG H H 13 8.006 8.006 8.750 -0.744 19538 1832 1 4 . 1 1 14 14 ALA N N 14 122.749 122.749 122.738 0.011 19538 1833 1 4 . 1 1 14 14 ALA HA H 14 3.938 3.938 3.974 -0.036 19538 1834 1 4 . 1 1 14 14 ALA CA C 14 54.976 54.976 55.209 -0.233 19538 1835 1 4 . 1 1 14 14 ALA CB C 14 19.446 19.446 18.650 0.796 19538 1836 1 4 . 1 1 14 14 ALA H H 14 8.163 8.163 8.717 -0.554 19538 1837 1 4 . 1 1 15 15 VAL N N 15 118.460 118.460 118.094 0.366 19538 1838 1 4 . 1 1 15 15 VAL HA H 15 3.219 3.219 3.605 -0.386 19538 1839 1 4 . 1 1 15 15 VAL CA C 15 66.611 66.611 66.098 0.513 19538 1840 1 4 . 1 1 15 15 VAL CB C 15 30.889 30.889 31.378 -0.489 19538 1841 1 4 . 1 1 15 15 VAL H H 15 8.718 8.718 8.449 0.269 19538 1842 1 4 . 1 1 16 16 SER N N 16 113.102 113.102 115.849 -2.747 19538 1843 1 4 . 1 1 16 16 SER HA H 16 4.144 4.144 4.081 0.063 19538 1844 1 4 . 1 1 16 16 SER CA C 16 60.888 60.888 62.187 -1.299 19538 1845 1 4 . 1 1 16 16 SER CB C 16 62.503 62.503 62.944 -0.441 19538 1846 1 4 . 1 1 16 16 SER H H 16 7.243 7.243 8.410 -1.167 19538 1847 1 4 . 1 1 17 17 MET N N 17 117.447 117.447 119.914 -2.467 19538 1848 1 4 . 1 1 17 17 MET HA H 17 3.875 3.875 4.078 -0.203 19538 1849 1 4 . 1 1 17 17 MET CA C 17 58.575 58.575 59.020 -0.445 19538 1850 1 4 . 1 1 17 17 MET CB C 17 33.489 33.489 32.688 0.801 19538 1851 1 4 . 1 1 17 17 MET H H 17 7.232 7.232 8.209 -0.977 19538 1852 1 4 . 1 1 18 18 VAL N N 18 117.842 117.842 115.246 2.596 19538 1853 1 4 . 1 1 18 18 VAL HA H 18 3.357 3.357 3.842 -0.485 19538 1854 1 4 . 1 1 18 18 VAL CA C 18 66.065 66.065 65.735 0.330 19538 1855 1 4 . 1 1 18 18 VAL CB C 18 31.686 31.686 30.826 0.860 19538 1856 1 4 . 1 1 18 18 VAL H H 18 7.678 7.678 8.135 -0.457 19538 1857 1 4 . 1 1 19 19 GLU N N 19 113.150 113.150 120.011 -6.861 19538 1858 1 4 . 1 1 19 19 GLU HA H 19 3.618 3.618 3.994 -0.376 19538 1859 1 4 . 1 1 19 19 GLU CA C 19 58.198 58.198 59.654 -1.456 19538 1860 1 4 . 1 1 19 19 GLU CB C 19 29.786 29.786 29.505 0.281 19538 1861 1 4 . 1 1 19 19 GLU H H 19 8.378 8.378 8.355 0.023 19538 1862 1 4 . 1 1 20 20 LYS N N 20 114.076 114.076 114.092 -0.016 19538 1863 1 4 . 1 1 20 20 LYS HA H 20 4.243 4.243 4.298 -0.055 19538 1864 1 4 . 1 1 20 20 LYS CA C 20 55.725 55.725 54.958 0.767 19538 1865 1 4 . 1 1 20 20 LYS CB C 20 33.032 33.032 32.355 0.677 19538 1866 1 4 . 1 1 20 20 LYS H H 20 7.072 7.072 7.403 -0.331 19538 1867 1 4 . 1 1 21 21 ASN N N 21 121.025 121.025 121.144 -0.119 19538 1868 1 4 . 1 1 21 21 ASN HA H 21 4.555 4.555 4.495 0.060 19538 1869 1 4 . 1 1 21 21 ASN CA C 21 53.766 53.766 53.227 0.539 19538 1870 1 4 . 1 1 21 21 ASN CB C 21 39.835 39.835 39.199 0.636 19538 1871 1 4 . 1 1 21 21 ASN H H 21 7.230 7.230 7.482 -0.252 19538 1872 1 4 . 1 1 22 22 LYS N N 22 128.112 128.112 127.359 0.753 19538 1873 1 4 . 1 1 22 22 LYS HA H 22 3.698 3.698 3.872 -0.174 19538 1874 1 4 . 1 1 22 22 LYS CA C 22 59.519 59.519 59.663 -0.144 19538 1875 1 4 . 1 1 22 22 LYS CB C 22 32.140 32.140 31.412 0.728 19538 1876 1 4 . 1 1 22 22 LYS H H 22 8.846 8.846 8.806 0.040 19538 1877 1 4 . 1 1 23 23 ASP N N 23 120.250 120.250 120.463 -0.213 19538 1878 1 4 . 1 1 23 23 ASP HA H 23 4.297 4.297 4.369 -0.072 19538 1879 1 4 . 1 1 23 23 ASP CA C 23 56.787 56.787 57.404 -0.617 19538 1880 1 4 . 1 1 23 23 ASP CB C 23 39.444 39.444 40.288 -0.844 19538 1881 1 4 . 1 1 23 23 ASP H H 23 7.731 7.731 8.035 -0.304 19538 1882 1 4 . 1 1 24 24 ILE N N 24 121.988 121.988 120.953 1.035 19538 1883 1 4 . 1 1 24 24 ILE HA H 24 3.219 3.219 3.397 -0.178 19538 1884 1 4 . 1 1 24 24 ILE CA C 24 63.375 63.375 65.430 -2.055 19538 1885 1 4 . 1 1 24 24 ILE CB C 24 35.424 35.424 37.610 -2.186 19538 1886 1 4 . 1 1 24 24 ILE H H 24 8.431 8.431 7.411 1.020 19538 1887 1 4 . 1 1 25 25 ARG N N 25 118.181 118.181 120.495 -2.314 19538 1888 1 4 . 1 1 25 25 ARG HA H 25 3.810 3.810 3.877 -0.067 19538 1889 1 4 . 1 1 25 25 ARG CA C 25 60.546 60.546 60.233 0.313 19538 1890 1 4 . 1 1 25 25 ARG CB C 25 30.205 30.205 29.977 0.228 19538 1891 1 4 . 1 1 25 25 ARG H H 25 8.206 8.206 8.879 -0.673 19538 1892 1 4 . 1 1 26 26 SER N N 26 112.549 112.549 115.775 -3.226 19538 1893 1 4 . 1 1 26 26 SER HA H 26 4.373 4.373 4.177 0.196 19538 1894 1 4 . 1 1 26 26 SER CA C 26 61.040 61.040 62.205 -1.165 19538 1895 1 4 . 1 1 26 26 SER CB C 26 62.096 62.096 62.807 -0.711 19538 1896 1 4 . 1 1 26 26 SER H H 26 7.518 7.518 8.166 -0.648 19538 1897 1 4 . 1 1 27 27 LEU N N 27 125.275 125.275 122.090 3.185 19538 1898 1 4 . 1 1 27 27 LEU HA H 27 4.013 4.013 4.022 -0.009 19538 1899 1 4 . 1 1 27 27 LEU CA C 27 57.652 57.652 57.818 -0.166 19538 1900 1 4 . 1 1 27 27 LEU CB C 27 42.548 42.548 42.106 0.442 19538 1901 1 4 . 1 1 27 27 LEU H H 27 8.050 8.050 8.069 -0.019 19538 1902 1 4 . 1 1 28 28 LEU N N 28 114.725 114.725 113.976 0.749 19538 1903 1 4 . 1 1 28 28 LEU HA H 28 3.863 3.863 4.299 -0.436 19538 1904 1 4 . 1 1 28 28 LEU CA C 28 54.299 54.299 54.397 -0.098 19538 1905 1 4 . 1 1 28 28 LEU CB C 28 42.874 42.874 41.816 1.058 19538 1906 1 4 . 1 1 28 28 LEU H H 28 8.010 8.010 8.634 -0.624 19538 1907 1 4 . 1 1 29 29 GLN N N 29 116.444 116.444 113.780 2.664 19538 1908 1 4 . 1 1 29 29 GLN HA H 29 3.854 3.854 3.976 -0.122 19538 1909 1 4 . 1 1 29 29 GLN CA C 29 55.652 55.652 56.638 -0.986 19538 1910 1 4 . 1 1 29 29 GLN CB C 29 25.300 25.300 25.558 -0.258 19538 1911 1 4 . 1 1 29 29 GLN H H 29 7.972 7.972 7.663 0.309 19538 1912 1 4 . 1 1 30 30 CYS N N 30 116.363 116.363 119.889 -3.526 19538 1913 1 4 . 1 1 30 30 CYS HA H 30 4.133 4.133 4.186 -0.053 19538 1914 1 4 . 1 1 30 30 CYS CA C 30 61.559 61.559 60.389 1.170 19538 1915 1 4 . 1 1 30 30 CYS CB C 30 27.701 27.701 25.133 2.568 19538 1916 1 4 . 1 1 30 30 CYS H H 30 7.847 7.847 8.717 -0.870 19538 1917 1 4 . 1 1 31 31 ASP N N 31 125.091 125.091 124.510 0.581 19538 1918 1 4 . 1 1 31 31 ASP HA H 31 4.598 4.598 5.024 -0.426 19538 1919 1 4 . 1 1 31 31 ASP CA C 31 52.428 52.428 52.900 -0.472 19538 1920 1 4 . 1 1 31 31 ASP CB C 31 39.156 39.156 42.098 -2.942 19538 1921 1 4 . 1 1 31 31 ASP H H 31 9.918 9.918 8.781 1.137 19538 1922 1 4 . 1 1 32 32 ASP N N 32 124.593 124.593 113.054 11.539 19538 1923 1 4 . 1 1 32 32 ASP HA H 32 5.131 5.131 4.724 0.407 19538 1924 1 4 . 1 1 32 32 ASP CA C 32 52.190 52.190 53.691 -1.501 19538 1925 1 4 . 1 1 32 32 ASP CB C 32 41.542 41.542 43.030 -1.488 19538 1926 1 4 . 1 1 32 32 ASP H H 32 7.532 7.532 8.341 -0.809 19538 1927 1 4 . 1 1 33 33 GLY N N 33 109.888 109.888 107.825 2.063 19538 1928 1 4 . 1 1 33 33 GLY CA C 33 44.840 44.840 47.148 -2.308 19538 1929 1 4 . 1 1 33 33 GLY H H 33 7.912 7.912 8.472 -0.560 19538 1930 1 4 . 1 1 34 34 ILE HA H 34 3.978 3.978 4.066 -0.088 19538 1931 1 4 . 1 1 34 34 ILE CA C 34 63.210 63.210 63.508 -0.298 19538 1932 1 4 . 1 1 34 34 ILE CB C 34 38.027 38.027 38.312 -0.285 19538 1933 1 4 . 1 1 35 35 THR N N 35 109.823 109.823 111.784 -1.961 19538 1934 1 4 . 1 1 35 35 THR HA H 35 4.291 4.291 4.417 -0.126 19538 1935 1 4 . 1 1 35 35 THR CA C 35 61.511 61.511 60.533 0.978 19538 1936 1 4 . 1 1 35 35 THR CB C 35 68.374 68.374 68.201 0.173 19538 1937 1 4 . 1 1 35 35 THR H H 35 7.995 7.995 7.690 0.305 19538 1938 1 4 . 1 1 36 36 GLY N N 36 109.916 109.916 109.941 -0.025 19538 1939 1 4 . 1 1 36 36 GLY CA C 36 44.282 44.282 44.933 -0.651 19538 1940 1 4 . 1 1 36 36 GLY H H 36 7.564 7.564 7.529 0.035 19538 1941 1 4 . 1 1 37 37 LYS N N 37 119.833 119.833 123.453 -3.620 19538 1942 1 4 . 1 1 37 37 LYS HA H 37 4.442 4.442 4.494 -0.052 19538 1943 1 4 . 1 1 37 37 LYS CA C 37 54.520 54.520 55.282 -0.762 19538 1944 1 4 . 1 1 37 37 LYS CB C 37 33.208 33.208 33.578 -0.369 19538 1945 1 4 . 1 1 37 37 LYS H H 37 8.236 8.236 8.341 -0.105 19538 1946 1 4 . 1 1 38 38 GLU N N 38 125.697 125.697 123.520 2.177 19538 1947 1 4 . 1 1 38 38 GLU HA H 38 3.907 3.907 4.393 -0.486 19538 1948 1 4 . 1 1 38 38 GLU CA C 38 56.731 56.731 55.432 1.299 19538 1949 1 4 . 1 1 38 38 GLU CB C 38 29.779 29.779 31.091 -1.312 19538 1950 1 4 . 1 1 38 38 GLU H H 38 8.175 8.175 8.579 -0.404 19538 1951 1 4 . 1 1 39 39 ARG N N 39 128.738 128.738 120.238 8.500 19538 1952 1 4 . 1 1 39 39 ARG HA H 39 4.260 4.260 4.513 -0.253 19538 1953 1 4 . 1 1 39 39 ARG CA C 39 55.343 55.343 55.154 0.189 19538 1954 1 4 . 1 1 39 39 ARG CB C 39 29.529 29.529 30.942 -1.413 19538 1955 1 4 . 1 1 39 39 ARG H H 39 8.920 8.920 8.498 0.422 19538 1956 1 4 . 1 1 40 40 LEU N N 40 127.659 127.659 124.332 3.327 19538 1957 1 4 . 1 1 40 40 LEU HA H 40 4.488 4.488 4.774 -0.286 19538 1958 1 4 . 1 1 40 40 LEU CA C 40 53.848 53.848 54.598 -0.750 19538 1959 1 4 . 1 1 40 40 LEU CB C 40 42.333 42.333 43.126 -0.793 19538 1960 1 4 . 1 1 40 40 LEU H H 40 8.670 8.670 8.473 0.197 19538 1961 1 4 . 1 1 41 41 LYS N N 41 121.136 121.136 123.195 -2.059 19538 1962 1 4 . 1 1 41 41 LYS HA H 41 4.647 4.647 4.802 -0.155 19538 1963 1 4 . 1 1 41 41 LYS CA C 41 55.062 55.062 55.001 0.061 19538 1964 1 4 . 1 1 41 41 LYS CB C 41 35.064 35.064 36.495 -1.431 19538 1965 1 4 . 1 1 41 41 LYS H H 41 8.273 8.273 8.951 -0.678 19538 1966 1 4 . 1 1 42 42 ALA N N 42 123.758 123.758 126.783 -3.025 19538 1967 1 4 . 1 1 42 42 ALA HA H 42 5.605 5.605 5.454 0.151 19538 1968 1 4 . 1 1 42 42 ALA CA C 42 50.529 50.529 51.060 -0.531 19538 1969 1 4 . 1 1 42 42 ALA CB C 42 22.577 22.577 21.787 0.790 19538 1970 1 4 . 1 1 42 42 ALA H H 42 8.488 8.488 8.652 -0.164 19538 1971 1 4 . 1 1 43 43 TYR N N 43 116.716 116.716 119.110 -2.394 19538 1972 1 4 . 1 1 43 43 TYR HA H 43 4.758 4.758 4.969 -0.211 19538 1973 1 4 . 1 1 43 43 TYR CA C 43 55.975 55.975 56.229 -0.254 19538 1974 1 4 . 1 1 43 43 TYR CB C 43 38.409 38.409 39.922 -1.513 19538 1975 1 4 . 1 1 43 43 TYR H H 43 8.123 8.123 9.205 -1.082 19538 1976 1 4 . 1 1 44 44 GLY N N 44 106.591 106.591 107.032 -0.441 19538 1977 1 4 . 1 1 44 44 GLY CA C 44 45.172 45.172 44.733 0.439 19538 1978 1 4 . 1 1 44 44 GLY H H 44 8.663 8.663 8.662 0.001 19538 1979 1 4 . 1 1 45 45 GLU N N 45 118.850 118.850 119.163 -0.313 19538 1980 1 4 . 1 1 45 45 GLU HA H 45 4.310 4.310 3.902 0.408 19538 1981 1 4 . 1 1 45 45 GLU CA C 45 56.286 56.286 57.101 -0.815 19538 1982 1 4 . 1 1 45 45 GLU CB C 45 31.304 31.304 29.896 1.408 19538 1983 1 4 . 1 1 45 45 GLU H H 45 8.287 8.287 8.076 0.211 19538 1984 1 4 . 1 1 46 46 LEU N N 46 124.692 124.692 125.185 -0.493 19538 1985 1 4 . 1 1 46 46 LEU HA H 46 4.361 4.361 4.219 0.142 19538 1986 1 4 . 1 1 46 46 LEU CA C 46 54.967 54.967 57.531 -2.564 19538 1987 1 4 . 1 1 46 46 LEU CB C 46 41.980 41.980 42.297 -0.317 19538 1988 1 4 . 1 1 46 46 LEU H H 46 9.010 9.010 6.799 2.211 19538 1989 1 4 . 1 1 47 47 ILE N N 47 123.302 123.302 118.423 4.879 19538 1990 1 4 . 1 1 47 47 ILE HA H 47 4.272 4.272 3.491 0.781 19538 1991 1 4 . 1 1 47 47 ILE CA C 47 60.399 60.399 64.196 -3.797 19538 1992 1 4 . 1 1 47 47 ILE CB C 47 38.676 38.676 38.106 0.570 19538 1993 1 4 . 1 1 47 47 ILE H H 47 8.407 8.407 7.411 0.996 19538 1994 1 4 . 1 1 48 48 THR N N 48 117.749 117.749 109.360 8.389 19538 1995 1 4 . 1 1 48 48 THR HA H 48 4.330 4.330 4.276 0.054 19538 1996 1 4 . 1 1 48 48 THR CA C 48 61.234 61.234 62.307 -1.073 19538 1997 1 4 . 1 1 48 48 THR CB C 48 69.327 69.327 69.022 0.305 19538 1998 1 4 . 1 1 48 48 THR H H 48 8.183 8.183 8.206 -0.023 19538 1999 1 4 . 1 1 49 49 ASN N N 49 120.102 120.102 119.763 0.339 19538 2000 1 4 . 1 1 49 49 ASN HA H 49 4.585 4.585 4.686 -0.101 19538 2001 1 4 . 1 1 49 49 ASN CA C 49 53.193 53.193 53.661 -0.468 19538 2002 1 4 . 1 1 49 49 ASN CB C 49 38.261 38.261 38.470 -0.209 19538 2003 1 4 . 1 1 49 49 ASN H H 49 8.418 8.418 7.921 0.497 19538 2004 1 4 . 1 1 50 50 ASP N N 50 119.783 119.783 118.776 1.007 19538 2005 1 4 . 1 1 50 50 ASP HA H 50 4.454 4.454 4.229 0.225 19538 2006 1 4 . 1 1 50 50 ASP CA C 50 53.950 53.950 56.132 -2.182 19538 2007 1 4 . 1 1 50 50 ASP CB C 50 41.231 41.231 40.336 0.895 19538 2008 1 4 . 1 1 50 50 ASP H H 50 8.096 8.096 7.703 0.393 19538 2009 1 4 . 1 1 51 51 LYS N N 51 120.547 120.547 120.097 0.450 19538 2010 1 4 . 1 1 51 51 LYS HA H 51 4.017 4.017 3.474 0.543 19538 2011 1 4 . 1 1 51 51 LYS CA C 51 56.633 56.633 57.641 -1.008 19538 2012 1 4 . 1 1 51 51 LYS CB C 51 32.052 32.052 31.926 0.126 19538 2013 1 4 . 1 1 51 51 LYS H H 51 8.173 8.173 7.291 0.882 19538 2014 1 4 . 1 1 52 52 TRP N N 52 120.062 120.062 116.012 4.050 19538 2015 1 4 . 1 1 52 52 TRP HA H 52 4.617 4.617 4.860 -0.243 19538 2016 1 4 . 1 1 52 52 TRP CA C 52 57.045 57.045 57.758 -0.713 19538 2017 1 4 . 1 1 52 52 TRP CB C 52 29.251 29.251 30.392 -1.141 19538 2018 1 4 . 1 1 52 52 TRP H H 52 8.094 8.094 8.112 -0.018 19538 2019 1 4 . 1 1 53 53 THR N N 53 115.770 115.770 109.453 6.317 19538 2020 1 4 . 1 1 53 53 THR HA H 53 4.262 4.262 4.588 -0.326 19538 2021 1 4 . 1 1 53 53 THR CA C 53 61.625 61.625 61.155 0.470 19538 2022 1 4 . 1 1 53 53 THR CB C 53 69.153 69.153 69.535 -0.382 19538 2023 1 4 . 1 1 53 53 THR H H 53 7.789 7.789 8.092 -0.303 19538 2024 1 4 . 1 1 54 54 ARG N N 54 122.136 122.136 122.376 -0.240 19538 2025 1 4 . 1 1 54 54 ARG HA H 54 4.133 4.133 4.117 0.016 19538 2026 1 4 . 1 1 54 54 ARG CA C 54 56.038 56.038 58.562 -2.524 19538 2027 1 4 . 1 1 54 54 ARG CB C 54 30.441 30.441 30.042 0.399 19538 2028 1 4 . 1 1 54 54 ARG H H 54 8.191 8.191 8.362 -0.171 19538 2029 1 4 . 1 1 55 55 ASN N N 55 117.842 117.842 117.276 0.566 19538 2030 1 4 . 1 1 55 55 ASN HA H 55 4.713 4.713 4.591 0.122 19538 2031 1 4 . 1 1 55 55 ASN CA C 55 52.873 52.873 54.857 -1.984 19538 2032 1 4 . 1 1 55 55 ASN CB C 55 38.769 38.769 39.051 -0.282 19538 2033 1 4 . 1 1 55 55 ASN H H 55 8.205 8.205 8.655 -0.450 19538 2034 1 4 . 1 1 56 56 ARG N N 56 121.615 121.615 118.018 3.597 19538 2035 1 4 . 1 1 56 56 ARG HA H 56 4.542 4.542 4.837 -0.295 19538 2036 1 4 . 1 1 56 56 ARG CA C 56 53.765 53.765 52.737 1.028 19538 2037 1 4 . 1 1 56 56 ARG CB C 56 30.009 30.009 30.057 -0.048 19538 2038 1 4 . 1 1 56 56 ARG H H 56 8.246 8.246 8.385 -0.139 19538 2039 1 4 . 1 1 57 57 PRO HA H 57 4.273 4.273 4.558 -0.285 19538 2040 1 4 . 1 1 57 57 PRO CA C 57 62.424 62.424 61.775 0.649 19538 2041 1 4 . 1 1 57 57 PRO CB C 57 31.987 31.987 32.764 -0.777 19538 2042 1 4 . 1 1 58 58 ILE N N 58 122.700 122.700 121.063 1.637 19538 2043 1 4 . 1 1 58 58 ILE HA H 58 4.089 4.089 3.875 0.214 19538 2044 1 4 . 1 1 58 58 ILE CA C 58 60.655 60.655 62.359 -1.704 19538 2045 1 4 . 1 1 58 58 ILE CB C 58 37.111 37.111 35.340 1.771 19538 2046 1 4 . 1 1 58 58 ILE H H 58 8.098 8.098 8.377 -0.279 19538 2047 1 4 . 1 1 59 59 VAL N N 59 124.097 124.097 119.304 4.793 19538 2048 1 4 . 1 1 59 59 VAL HA H 59 4.549 4.549 4.719 -0.170 19538 2049 1 4 . 1 1 59 59 VAL CA C 59 59.613 59.613 59.379 0.234 19538 2050 1 4 . 1 1 59 59 VAL CB C 59 34.980 34.980 35.427 -0.447 19538 2051 1 4 . 1 1 59 59 VAL H H 59 8.167 8.167 8.003 0.164 19538 2052 1 4 . 1 1 60 60 SER N N 60 119.752 119.752 116.553 3.199 19538 2053 1 4 . 1 1 60 60 SER HA H 60 5.136 5.136 5.471 -0.335 19538 2054 1 4 . 1 1 60 60 SER CA C 60 56.467 56.467 56.366 0.101 19538 2055 1 4 . 1 1 60 60 SER CB C 60 64.890 64.890 65.564 -0.674 19538 2056 1 4 . 1 1 60 60 SER H H 60 8.592 8.592 9.765 -1.173 19538 2057 1 4 . 1 1 61 61 THR N N 61 117.559 117.559 118.581 -1.022 19538 2058 1 4 . 1 1 61 61 THR HA H 61 4.576 4.576 4.244 0.332 19538 2059 1 4 . 1 1 61 61 THR CA C 61 61.348 61.348 61.935 -0.587 19538 2060 1 4 . 1 1 61 61 THR CB C 61 70.276 70.276 69.547 0.729 19538 2061 1 4 . 1 1 61 61 THR H H 61 9.214 9.214 8.942 0.272 19538 2062 1 4 . 1 1 62 62 LYS N N 62 123.743 123.743 125.642 -1.899 19538 2063 1 4 . 1 1 62 62 LYS HA H 62 5.507 5.507 4.643 0.864 19538 2064 1 4 . 1 1 62 62 LYS CA C 62 54.843 54.843 55.027 -0.184 19538 2065 1 4 . 1 1 62 62 LYS CB C 62 35.211 35.211 32.185 3.026 19538 2066 1 4 . 1 1 62 62 LYS H H 62 8.687 8.687 8.376 0.311 19538 2067 1 4 . 1 1 63 63 LYS N N 63 121.218 121.218 126.437 -5.219 19538 2068 1 4 . 1 1 63 63 LYS HA H 63 4.595 4.595 4.636 -0.041 19538 2069 1 4 . 1 1 63 63 LYS CA C 63 54.760 54.760 55.065 -0.305 19538 2070 1 4 . 1 1 63 63 LYS CB C 63 36.712 36.712 34.264 2.448 19538 2071 1 4 . 1 1 63 63 LYS H H 63 8.797 8.797 9.365 -0.568 19538 2072 1 4 . 1 1 64 64 LEU N N 64 124.605 124.605 129.208 -4.603 19538 2073 1 4 . 1 1 64 64 LEU HA H 64 4.920 4.920 4.963 -0.043 19538 2074 1 4 . 1 1 64 64 LEU CA C 64 53.797 53.797 54.182 -0.385 19538 2075 1 4 . 1 1 64 64 LEU CB C 64 43.553 43.553 42.312 1.241 19538 2076 1 4 . 1 1 64 64 LEU H H 64 8.604 8.604 8.803 -0.199 19538 2077 1 4 . 1 1 65 65 ASP N N 65 122.577 122.577 126.699 -4.122 19538 2078 1 4 . 1 1 65 65 ASP HA H 65 4.664 4.664 5.037 -0.373 19538 2079 1 4 . 1 1 65 65 ASP CA C 65 51.824 51.824 53.139 -1.315 19538 2080 1 4 . 1 1 65 65 ASP CB C 65 41.277 41.277 43.217 -1.940 19538 2081 1 4 . 1 1 65 65 ASP H H 65 8.455 8.455 8.147 0.308 19538 2082 1 4 . 1 1 66 66 LYS N N 66 117.718 117.718 119.260 -1.542 19538 2083 1 4 . 1 1 66 66 LYS HA H 66 4.052 4.052 4.013 0.039 19538 2084 1 4 . 1 1 66 66 LYS CA C 66 58.116 58.116 58.880 -0.764 19538 2085 1 4 . 1 1 66 66 LYS CB C 66 31.677 31.677 31.991 -0.315 19538 2086 1 4 . 1 1 66 66 LYS H H 66 8.339 8.339 8.702 -0.363 19538 2087 1 4 . 1 1 67 67 GLU N N 67 118.253 118.253 118.581 -0.328 19538 2088 1 4 . 1 1 67 67 GLU HA H 67 4.323 4.323 4.199 0.124 19538 2089 1 4 . 1 1 67 67 GLU CA C 67 56.018 56.018 57.046 -1.028 19538 2090 1 4 . 1 1 67 67 GLU CB C 67 29.587 29.587 29.672 -0.085 19538 2091 1 4 . 1 1 67 67 GLU H H 67 8.096 8.096 8.220 -0.124 19538 2092 1 4 . 1 1 68 68 GLY N N 68 107.960 107.960 107.506 0.454 19538 2093 1 4 . 1 1 68 68 GLY CA C 68 45.213 45.213 45.465 -0.251 19538 2094 1 4 . 1 1 68 68 GLY H H 68 8.168 8.168 8.447 -0.279 19538 2095 1 4 . 1 1 69 69 ARG N N 69 121.436 121.436 118.066 3.370 19538 2096 1 4 . 1 1 69 69 ARG HA H 69 4.482 4.482 4.981 -0.499 19538 2097 1 4 . 1 1 69 69 ARG CA C 69 54.229 54.229 53.042 1.187 19538 2098 1 4 . 1 1 69 69 ARG CB C 69 30.399 30.399 32.473 -2.074 19538 2099 1 4 . 1 1 69 69 ARG H H 69 8.590 8.590 7.610 0.980 19538 2100 1 4 . 1 1 70 70 THR N N 70 120.709 120.709 120.777 -0.068 19538 2101 1 4 . 1 1 70 70 THR HA H 70 4.298 4.298 4.499 -0.201 19538 2102 1 4 . 1 1 70 70 THR CA C 70 64.365 64.365 63.277 1.088 19538 2103 1 4 . 1 1 70 70 THR CB C 70 68.832 68.832 68.536 0.296 19538 2104 1 4 . 1 1 70 70 THR H H 70 8.822 8.822 8.751 0.071 19538 2105 1 4 . 1 1 71 71 HIS N N 71 127.496 127.496 128.032 -0.536 19538 2106 1 4 . 1 1 71 71 HIS HA H 71 5.138 5.138 4.759 0.379 19538 2107 1 4 . 1 1 71 71 HIS CA C 71 53.948 53.948 55.562 -1.615 19538 2108 1 4 . 1 1 71 71 HIS CB C 71 31.791 31.791 31.412 0.379 19538 2109 1 4 . 1 1 71 71 HIS H H 71 9.384 9.384 9.694 -0.310 19538 2110 1 4 . 1 1 72 72 HIS N N 72 121.684 121.684 127.251 -5.567 19538 2111 1 4 . 1 1 72 72 HIS HA H 72 5.094 5.094 5.507 -0.413 19538 2112 1 4 . 1 1 72 72 HIS CA C 72 54.390 54.390 54.169 0.222 19538 2113 1 4 . 1 1 72 72 HIS CB C 72 33.961 33.961 31.491 2.470 19538 2114 1 4 . 1 1 72 72 HIS H H 72 9.076 9.076 9.517 -0.441 19538 2115 1 4 . 1 1 73 73 TYR N N 73 121.287 121.287 123.970 -2.683 19538 2116 1 4 . 1 1 73 73 TYR HA H 73 5.305 5.305 5.001 0.304 19538 2117 1 4 . 1 1 73 73 TYR CA C 73 56.017 56.017 57.189 -1.172 19538 2118 1 4 . 1 1 73 73 TYR CB C 73 39.479 39.479 40.425 -0.946 19538 2119 1 4 . 1 1 73 73 TYR H H 73 9.305 9.305 8.834 0.471 19538 2120 1 4 . 1 1 74 74 MET N N 74 124.078 124.078 123.775 0.303 19538 2121 1 4 . 1 1 74 74 MET HA H 74 4.867 4.867 5.358 -0.491 19538 2122 1 4 . 1 1 74 74 MET CA C 74 54.701 54.701 54.355 0.346 19538 2123 1 4 . 1 1 74 74 MET CB C 74 38.007 38.007 36.954 1.053 19538 2124 1 4 . 1 1 74 74 MET H H 74 8.761 8.761 9.289 -0.528 19538 2125 1 4 . 1 1 75 75 ARG N N 75 123.962 123.962 124.287 -0.325 19538 2126 1 4 . 1 1 75 75 ARG HA H 75 5.471 5.471 5.580 -0.109 19538 2127 1 4 . 1 1 75 75 ARG CA C 75 53.340 53.340 54.126 -0.786 19538 2128 1 4 . 1 1 75 75 ARG CB C 75 34.441 34.441 32.920 1.521 19538 2129 1 4 . 1 1 75 75 ARG H H 75 8.427 8.427 8.695 -0.268 19538 2130 1 4 . 1 1 76 76 PHE N N 76 114.935 114.935 117.171 -2.236 19538 2131 1 4 . 1 1 76 76 PHE HA H 76 4.621 4.621 5.045 -0.424 19538 2132 1 4 . 1 1 76 76 PHE CA C 76 55.856 55.856 56.362 -0.506 19538 2133 1 4 . 1 1 76 76 PHE CB C 76 39.167 39.167 41.527 -2.360 19538 2134 1 4 . 1 1 76 76 PHE H H 76 8.296 8.296 8.789 -0.493 19538 2135 1 4 . 1 1 77 77 HIS N N 77 117.830 117.830 119.831 -2.001 19538 2136 1 4 . 1 1 77 77 HIS HA H 77 5.451 5.451 5.222 0.229 19538 2137 1 4 . 1 1 77 77 HIS CA C 77 54.767 54.767 55.961 -1.194 19538 2138 1 4 . 1 1 77 77 HIS CB C 77 31.102 31.102 31.957 -0.855 19538 2139 1 4 . 1 1 77 77 HIS H H 77 9.190 9.190 9.376 -0.186 19538 2140 1 4 . 1 1 78 78 VAL N N 78 114.372 114.372 123.102 -8.730 19538 2141 1 4 . 1 1 78 78 VAL HA H 78 5.110 5.110 5.197 -0.087 19538 2142 1 4 . 1 1 78 78 VAL CA C 78 59.653 59.653 59.342 0.311 19538 2143 1 4 . 1 1 78 78 VAL CB C 78 35.073 35.073 35.387 -0.314 19538 2144 1 4 . 1 1 78 78 VAL H H 78 7.860 7.860 9.326 -1.466 19538 2145 1 4 . 1 1 79 79 GLU N N 79 126.076 126.076 129.563 -3.487 19538 2146 1 4 . 1 1 79 79 GLU HA H 79 5.400 5.400 5.022 0.378 19538 2147 1 4 . 1 1 79 79 GLU CA C 79 54.316 54.316 55.264 -0.948 19538 2148 1 4 . 1 1 79 79 GLU CB C 79 34.060 34.060 31.838 2.222 19538 2149 1 4 . 1 1 79 79 GLU H H 79 9.213 9.213 9.581 -0.368 19538 2150 1 4 . 1 1 80 80 SER N N 80 124.627 124.627 123.062 1.565 19538 2151 1 4 . 1 1 80 80 SER HA H 80 4.892 4.892 4.654 0.238 19538 2152 1 4 . 1 1 80 80 SER CA C 80 54.930 54.930 57.833 -2.903 19538 2153 1 4 . 1 1 80 80 SER CB C 80 67.503 67.503 64.667 2.836 19538 2154 1 4 . 1 1 80 80 SER H H 80 9.464 9.464 9.206 0.258 19538 2155 1 4 . 1 1 81 81 LYS N N 81 119.240 119.240 118.978 0.262 19538 2156 1 4 . 1 1 81 81 LYS HA H 81 4.000 4.000 4.181 -0.181 19538 2157 1 4 . 1 1 81 81 LYS CA C 81 59.099 59.099 58.145 0.954 19538 2158 1 4 . 1 1 81 81 LYS CB C 81 31.721 31.721 32.478 -0.757 19538 2159 1 4 . 1 1 81 81 LYS H H 81 10.052 10.052 8.227 1.825 19538 2160 1 4 . 1 1 82 82 LYS N N 82 114.688 114.688 114.897 -0.209 19538 2161 1 4 . 1 1 82 82 LYS HA H 82 4.365 4.365 4.495 -0.130 19538 2162 1 4 . 1 1 82 82 LYS CA C 82 56.211 56.211 55.780 0.431 19538 2163 1 4 . 1 1 82 82 LYS CB C 82 36.484 36.484 35.055 1.429 19538 2164 1 4 . 1 1 82 82 LYS H H 82 7.782 7.782 7.654 0.128 19538 2165 1 4 . 1 1 83 83 LYS N N 83 118.992 118.992 119.621 -0.629 19538 2166 1 4 . 1 1 83 83 LYS HA H 83 4.749 4.749 4.637 0.112 19538 2167 1 4 . 1 1 83 83 LYS CA C 83 53.590 53.590 54.036 -0.446 19538 2168 1 4 . 1 1 83 83 LYS CB C 83 39.218 39.218 36.259 2.959 19538 2169 1 4 . 1 1 83 83 LYS H H 83 7.962 7.962 8.545 -0.583 19538 2170 1 4 . 1 1 84 84 ILE N N 84 118.513 118.513 121.570 -3.057 19538 2171 1 4 . 1 1 84 84 ILE HA H 84 4.556 4.556 4.708 -0.152 19538 2172 1 4 . 1 1 84 84 ILE CA C 84 60.643 60.643 60.882 -0.239 19538 2173 1 4 . 1 1 84 84 ILE CB C 84 39.946 39.946 39.168 0.778 19538 2174 1 4 . 1 1 84 84 ILE H H 84 7.927 7.927 8.783 -0.856 19538 2175 1 4 . 1 1 85 85 ALA N N 85 127.327 127.327 129.639 -2.312 19538 2176 1 4 . 1 1 85 85 ALA HA H 85 5.048 5.048 5.091 -0.043 19538 2177 1 4 . 1 1 85 85 ALA CA C 85 49.316 49.316 49.666 -0.350 19538 2178 1 4 . 1 1 85 85 ALA CB C 85 24.205 24.205 23.277 0.928 19538 2179 1 4 . 1 1 85 85 ALA H H 85 9.211 9.211 9.268 -0.057 19538 2180 1 4 . 1 1 86 86 LEU N N 86 122.978 122.978 122.414 0.564 19538 2181 1 4 . 1 1 86 86 LEU HA H 86 4.554 4.554 4.813 -0.259 19538 2182 1 4 . 1 1 86 86 LEU CA C 86 53.671 53.671 52.795 0.876 19538 2183 1 4 . 1 1 86 86 LEU CB C 86 44.396 44.396 45.316 -0.920 19538 2184 1 4 . 1 1 86 86 LEU H H 86 8.312 8.312 8.983 -0.671 19538 2185 1 4 . 1 1 87 87 VAL N N 87 127.511 127.511 125.852 1.659 19538 2186 1 4 . 1 1 87 87 VAL HA H 87 4.244 4.244 4.333 -0.089 19538 2187 1 4 . 1 1 87 87 VAL CA C 87 60.226 60.226 60.649 -0.423 19538 2188 1 4 . 1 1 87 87 VAL CB C 87 31.609 31.609 32.510 -0.901 19538 2189 1 4 . 1 1 87 87 VAL H H 87 9.017 9.017 8.934 0.083 19538 2190 1 4 . 1 1 88 88 HIS N N 88 124.227 124.227 127.314 -3.087 19538 2191 1 4 . 1 1 88 88 HIS HA H 88 4.687 4.687 5.141 -0.454 19538 2192 1 4 . 1 1 88 88 HIS CA C 88 54.314 54.314 53.197 1.117 19538 2193 1 4 . 1 1 88 88 HIS CB C 88 33.245 33.245 32.001 1.244 19538 2194 1 4 . 1 1 88 88 HIS H H 88 8.104 8.104 8.883 -0.779 19538 2195 1 4 . 1 1 89 89 LEU N N 89 121.992 121.992 128.600 -6.608 19538 2196 1 4 . 1 1 89 89 LEU HA H 89 5.050 5.050 5.268 -0.218 19538 2197 1 4 . 1 1 89 89 LEU CA C 89 52.983 52.983 53.883 -0.900 19538 2198 1 4 . 1 1 89 89 LEU CB C 89 46.355 46.355 46.515 -0.160 19538 2199 1 4 . 1 1 89 89 LEU H H 89 8.600 8.600 9.354 -0.754 19538 2200 1 4 . 1 1 90 90 GLU N N 90 121.551 121.551 125.553 -4.002 19538 2201 1 4 . 1 1 90 90 GLU HA H 90 5.253 5.253 5.658 -0.405 19538 2202 1 4 . 1 1 90 90 GLU CA C 90 53.422 53.422 54.565 -1.143 19538 2203 1 4 . 1 1 90 90 GLU CB C 90 33.238 33.238 33.454 -0.216 19538 2204 1 4 . 1 1 90 90 GLU H H 90 8.816 8.816 9.692 -0.876 19538 2205 1 4 . 1 1 91 91 ALA N N 91 128.266 128.266 127.378 0.888 19538 2206 1 4 . 1 1 91 91 ALA HA H 91 5.385 5.385 5.412 -0.027 19538 2207 1 4 . 1 1 91 91 ALA CA C 91 49.164 49.164 49.930 -0.766 19538 2208 1 4 . 1 1 91 91 ALA CB C 91 23.227 23.227 23.126 0.101 19538 2209 1 4 . 1 1 91 91 ALA H H 91 9.287 9.287 8.979 0.308 19538 2210 1 4 . 1 1 92 92 LYS N N 92 121.573 121.573 120.262 1.311 19538 2211 1 4 . 1 1 92 92 LYS HA H 92 4.884 4.884 5.315 -0.431 19538 2212 1 4 . 1 1 92 92 LYS CA C 92 54.365 54.365 53.960 0.405 19538 2213 1 4 . 1 1 92 92 LYS CB C 92 36.427 36.427 35.409 1.018 19538 2214 1 4 . 1 1 92 92 LYS H H 92 9.160 9.160 8.788 0.372 19538 2215 1 4 . 1 1 93 93 GLU N N 93 127.022 127.022 125.689 1.333 19538 2216 1 4 . 1 1 93 93 GLU HA H 93 4.145 4.145 4.087 0.058 19538 2217 1 4 . 1 1 93 93 GLU CA C 93 56.227 56.227 56.766 -0.539 19538 2218 1 4 . 1 1 93 93 GLU CB C 93 30.986 30.986 30.150 0.836 19538 2219 1 4 . 1 1 93 93 GLU H H 93 8.525 8.525 8.793 -0.268 19538 2220 1 4 . 1 1 94 94 SER N N 94 120.676 120.676 118.921 1.755 19538 2221 1 4 . 1 1 94 94 SER HA H 94 4.416 4.416 4.060 0.356 19538 2222 1 4 . 1 1 94 94 SER CA C 94 57.241 57.241 62.368 -5.127 19538 2223 1 4 . 1 1 94 94 SER CB C 94 63.634 63.634 63.325 0.309 19538 2224 1 4 . 1 1 94 94 SER H H 94 8.877 8.877 8.888 -0.011 19538 2225 1 4 . 1 1 95 95 LYS HA H 95 4.212 4.212 4.559 -0.347 19538 2226 1 4 . 1 1 95 95 LYS CA C 95 56.036 56.036 58.411 -2.375 19538 2227 1 4 . 1 1 95 95 LYS CB C 95 33.113 33.113 33.539 -0.426 19538 2228 1 4 . 1 1 96 96 GLN N N 96 118.641 118.641 115.506 3.135 19538 2229 1 4 . 1 1 96 96 GLN HA H 96 4.140 4.140 4.690 -0.550 19538 2230 1 4 . 1 1 96 96 GLN CA C 96 56.338 56.338 54.422 1.916 19538 2231 1 4 . 1 1 96 96 GLN CB C 96 28.958 28.958 28.422 0.536 19538 2232 1 4 . 1 1 96 96 GLN H H 96 8.335 8.335 8.008 0.327 19538 2233 1 4 . 1 1 97 97 ASN N N 97 116.545 116.545 118.315 -1.770 19538 2234 1 4 . 1 1 97 97 ASN HA H 97 4.511 4.511 4.210 0.301 19538 2235 1 4 . 1 1 97 97 ASN CA C 97 53.163 53.163 53.043 0.120 19538 2236 1 4 . 1 1 97 97 ASN CB C 97 38.370 38.370 39.173 -0.804 19538 2237 1 4 . 1 1 97 97 ASN H H 97 8.199 8.199 7.893 0.306 19538 2238 1 4 . 1 1 98 98 TYR N N 98 119.134 119.134 119.151 -0.017 19538 2239 1 4 . 1 1 98 98 TYR HA H 98 4.482 4.482 4.254 0.228 19538 2240 1 4 . 1 1 98 98 TYR CA C 98 57.458 57.458 60.130 -2.672 19538 2241 1 4 . 1 1 98 98 TYR CB C 98 38.539 38.539 38.470 0.069 19538 2242 1 4 . 1 1 98 98 TYR H H 98 7.918 7.918 8.019 -0.101 19538 2243 1 4 . 1 1 99 99 GLN N N 99 119.975 119.975 115.438 4.537 19538 2244 1 4 . 1 1 99 99 GLN HA H 99 4.440 4.440 4.656 -0.216 19538 2245 1 4 . 1 1 99 99 GLN CA C 99 53.092 53.092 52.631 0.461 19538 2246 1 4 . 1 1 99 99 GLN CB C 99 27.891 27.891 30.329 -2.438 19538 2247 1 4 . 1 1 99 99 GLN H H 99 7.992 7.992 8.000 -0.008 19538 2248 1 4 . 1 1 100 100 PRO HA H 100 4.294 4.294 4.114 0.180 19538 2249 1 4 . 1 1 100 100 PRO CA C 100 62.415 62.415 61.800 0.615 19538 2250 1 4 . 1 1 100 100 PRO CB C 100 32.538 32.538 31.945 0.593 19538 2251 1 4 . 1 1 101 101 ASP N N 101 120.964 120.964 120.869 0.095 19538 2252 1 4 . 1 1 101 101 ASP HA H 101 4.654 4.654 4.412 0.242 19538 2253 1 4 . 1 1 101 101 ASP CA C 101 52.845 52.845 53.014 -0.169 19538 2254 1 4 . 1 1 101 101 ASP CB C 101 42.316 42.316 41.431 0.885 19538 2255 1 4 . 1 1 101 101 ASP H H 101 8.225 8.225 8.784 -0.559 19538 2256 1 4 . 1 1 102 102 PHE N N 102 122.913 122.913 125.519 -2.606 19538 2257 1 4 . 1 1 102 102 PHE HA H 102 4.642 4.642 4.478 0.164 19538 2258 1 4 . 1 1 102 102 PHE CA C 102 57.341 57.341 58.666 -1.325 19538 2259 1 4 . 1 1 102 102 PHE CB C 102 38.576 38.576 37.444 1.132 19538 2260 1 4 . 1 1 102 102 PHE H H 102 9.014 9.014 8.418 0.596 19538 2261 1 4 . 1 1 103 103 ILE N N 103 117.131 117.131 122.932 -5.801 19538 2262 1 4 . 1 1 103 103 ILE HA H 103 4.464 4.464 3.745 0.719 19538 2263 1 4 . 1 1 103 103 ILE CA C 103 60.346 60.346 64.117 -3.771 19538 2264 1 4 . 1 1 103 103 ILE CB C 103 39.243 39.243 38.500 0.743 19538 2265 1 4 . 1 1 103 103 ILE H H 103 8.765 8.765 7.885 0.880 19538 2266 1 4 . 1 1 104 104 ASN N N 104 117.264 117.264 114.652 2.612 19538 2267 1 4 . 1 1 104 104 ASN HA H 104 4.913 4.913 5.181 -0.268 19538 2268 1 4 . 1 1 104 104 ASN CA C 104 52.710 52.710 52.509 0.201 19538 2269 1 4 . 1 1 104 104 ASN CB C 104 41.361 41.361 42.214 -0.853 19538 2270 1 4 . 1 1 104 104 ASN H H 104 7.441 7.441 8.286 -0.845 19538 2271 1 4 . 1 1 105 105 MET N N 105 125.685 125.685 121.340 4.345 19538 2272 1 4 . 1 1 105 105 MET HA H 105 5.484 5.484 5.577 -0.093 19538 2273 1 4 . 1 1 105 105 MET CA C 105 56.071 56.071 55.006 1.065 19538 2274 1 4 . 1 1 105 105 MET CB C 105 34.514 34.514 35.350 -0.836 19538 2275 1 4 . 1 1 105 105 MET H H 105 9.244 9.244 8.262 0.982 19538 2276 1 4 . 1 1 106 106 TYR N N 106 125.856 125.856 119.822 6.034 19538 2277 1 4 . 1 1 106 106 TYR HA H 106 5.438 5.438 5.351 0.087 19538 2278 1 4 . 1 1 106 106 TYR CA C 106 54.552 54.552 55.071 -0.519 19538 2279 1 4 . 1 1 106 106 TYR CB C 106 40.104 40.104 40.922 -0.818 19538 2280 1 4 . 1 1 106 106 TYR H H 106 8.893 8.893 8.998 -0.105 19538 2281 1 4 . 1 1 107 107 VAL N N 107 117.033 117.033 119.969 -2.936 19538 2282 1 4 . 1 1 107 107 VAL HA H 107 4.957 4.957 4.524 0.433 19538 2283 1 4 . 1 1 107 107 VAL CA C 107 60.008 60.008 61.065 -1.057 19538 2284 1 4 . 1 1 107 107 VAL CB C 107 35.319 35.319 34.254 1.065 19538 2285 1 4 . 1 1 107 107 VAL H H 107 9.041 9.041 9.151 -0.110 19538 2286 1 4 . 1 1 108 108 ASP N N 108 129.995 129.995 128.592 1.403 19538 2287 1 4 . 1 1 108 108 ASP HA H 108 5.240 5.240 4.934 0.306 19538 2288 1 4 . 1 1 108 108 ASP CA C 108 52.975 52.975 52.067 0.908 19538 2289 1 4 . 1 1 108 108 ASP CB C 108 42.245 42.245 41.767 0.478 19538 2290 1 4 . 1 1 108 108 ASP H H 108 9.382 9.382 9.309 0.073 19538 2291 1 4 . 1 1 109 109 VAL N N 109 129.641 129.641 126.402 3.239 19538 2292 1 4 . 1 1 109 109 VAL HA H 109 4.464 4.464 4.410 0.054 19538 2293 1 4 . 1 1 109 109 VAL CA C 109 58.694 58.694 58.694 -0.000 19538 2294 1 4 . 1 1 109 109 VAL CB C 109 33.061 33.061 33.482 -0.421 19538 2295 1 4 . 1 1 109 109 VAL H H 109 9.181 9.181 8.107 1.074 19538 2296 1 4 . 1 1 110 110 PRO HA H 110 4.288 4.288 4.423 -0.135 19538 2297 1 4 . 1 1 110 110 PRO CA C 110 64.107 64.107 63.458 0.649 19538 2298 1 4 . 1 1 110 110 PRO CB C 110 31.557 31.557 32.195 -0.638 19538 2299 1 4 . 1 1 111 111 GLY N N 111 112.873 112.873 113.251 -0.378 19538 2300 1 4 . 1 1 111 111 GLY CA C 111 44.872 44.872 45.605 -0.733 19538 2301 1 4 . 1 1 111 111 GLY H H 111 8.839 8.839 8.728 0.111 19538 2302 1 4 . 1 1 112 112 GLU N N 112 118.157 118.157 122.086 -3.929 19538 2303 1 4 . 1 1 112 112 GLU HA H 112 4.858 4.858 4.470 0.388 19538 2304 1 4 . 1 1 112 112 GLU CA C 112 52.732 52.732 55.674 -2.942 19538 2305 1 4 . 1 1 112 112 GLU CB C 112 31.513 31.513 31.011 0.502 19538 2306 1 4 . 1 1 112 112 GLU H H 112 8.136 8.136 8.394 -0.258 19538 2307 1 4 . 1 1 113 113 LYS N N 113 121.944 121.944 119.675 2.269 19538 2308 1 4 . 1 1 113 113 LYS HA H 113 4.208 4.208 4.330 -0.122 19538 2309 1 4 . 1 1 113 113 LYS CA C 113 55.810 55.810 55.644 0.166 19538 2310 1 4 . 1 1 113 113 LYS CB C 113 32.157 32.157 33.012 -0.855 19538 2311 1 4 . 1 1 113 113 LYS H H 113 8.847 8.847 8.269 0.578 19538 2312 1 4 . 1 1 114 114 ARG N N 114 126.520 126.520 119.180 7.340 19538 2313 1 4 . 1 1 114 114 ARG HA H 114 4.064 4.064 4.633 -0.569 19538 2314 1 4 . 1 1 114 114 ARG CA C 114 57.914 57.914 56.089 1.825 19538 2315 1 4 . 1 1 114 114 ARG CB C 114 30.627 30.627 30.715 -0.088 19538 2316 1 4 . 1 1 114 114 ARG H H 114 8.539 8.539 8.330 0.209 19538 2317 1 4 . 1 1 115 115 TYR N N 115 128.478 128.478 128.218 0.260 19538 2318 1 4 . 1 1 115 115 TYR HA H 115 4.671 4.671 4.732 -0.061 19538 2319 1 4 . 1 1 115 115 TYR CA C 115 56.519 56.519 56.549 -0.030 19538 2320 1 4 . 1 1 115 115 TYR CB C 115 40.193 40.193 40.902 -0.709 19538 2321 1 4 . 1 1 115 115 TYR H H 115 8.333 8.333 8.867 -0.534 19538 2322 1 4 . 1 1 116 116 TYR N N 116 127.101 127.101 128.552 -1.451 19538 2323 1 4 . 1 1 116 116 TYR HA H 116 4.553 4.553 4.507 0.046 19538 2324 1 4 . 1 1 116 116 TYR CA C 116 58.502 58.502 58.285 0.217 19538 2325 1 4 . 1 1 116 116 TYR CB C 116 38.842 38.842 37.690 1.152 19538 2326 1 4 . 1 1 116 116 TYR H H 116 8.740 8.740 8.458 0.282 19538 2327 1 4 . 1 1 117 117 LEU N N 117 125.574 125.574 124.810 0.764 19538 2328 1 4 . 1 1 117 117 LEU HA H 117 4.394 4.394 4.205 0.189 19538 2329 1 4 . 1 1 117 117 LEU CA C 117 57.384 57.384 56.578 0.805 19538 2330 1 4 . 1 1 117 117 LEU CB C 117 43.272 43.272 42.973 0.299 19538 2331 1 4 . 1 1 117 117 LEU H H 117 8.427 8.427 8.195 0.232 19538 2332 1 4 . 1 1 118 118 ILE N N 118 118.478 118.478 118.907 -0.429 19538 2333 1 4 . 1 1 118 118 ILE HA H 118 4.199 4.199 4.262 -0.063 19538 2334 1 4 . 1 1 118 118 ILE CA C 118 60.074 60.074 60.276 -0.202 19538 2335 1 4 . 1 1 118 118 ILE CB C 118 40.895 40.895 40.001 0.894 19538 2336 1 4 . 1 1 118 118 ILE H H 118 7.983 7.983 8.094 -0.111 19538 2337 1 4 . 1 1 119 119 LYS N N 119 127.589 127.589 128.056 -0.467 19538 2338 1 4 . 1 1 119 119 LYS HA H 119 4.778 4.778 4.692 0.086 19538 2339 1 4 . 1 1 119 119 LYS CA C 119 53.232 53.232 52.421 0.811 19538 2340 1 4 . 1 1 119 119 LYS CB C 119 32.581 32.581 31.502 1.079 19538 2341 1 4 . 1 1 119 119 LYS H H 119 8.550 8.550 8.790 -0.240 19538 2342 1 4 . 1 1 120 120 PRO HA H 120 4.534 4.534 4.948 -0.414 19538 2343 1 4 . 1 1 120 120 PRO CA C 120 62.395 62.395 62.178 0.217 19538 2344 1 4 . 1 1 120 120 PRO CB C 120 32.059 32.059 32.708 -0.649 19538 2345 1 4 . 1 1 121 121 LYS N N 121 122.191 122.191 121.677 0.514 19538 2346 1 4 . 1 1 121 121 LYS HA H 121 4.136 4.136 3.918 0.218 19538 2347 1 4 . 1 1 121 121 LYS CA C 121 55.840 55.840 56.273 -0.433 19538 2348 1 4 . 1 1 121 121 LYS CB C 121 33.162 33.162 29.580 3.582 19538 2349 1 4 . 1 1 121 121 LYS H H 121 8.406 8.406 8.472 -0.066 19538 2350 1 4 . 1 1 122 122 LEU N N 122 122.972 122.972 120.706 2.266 19538 2351 1 4 . 1 1 122 122 LEU HA H 122 4.219 4.219 4.115 0.104 19538 2352 1 4 . 1 1 122 122 LEU CA C 122 54.494 54.494 54.739 -0.245 19538 2353 1 4 . 1 1 122 122 LEU CB C 122 41.990 41.990 41.728 0.262 19538 2354 1 4 . 1 1 122 122 LEU H H 122 8.158 8.158 7.891 0.267 19538 2355 1 4 . 1 1 123 123 HIS N N 123 121.608 121.608 119.517 2.091 19538 2356 1 4 . 1 1 123 123 HIS HA H 123 4.776 4.776 4.520 0.256 19538 2357 1 4 . 1 1 123 123 HIS CA C 123 53.651 53.651 52.888 0.763 19538 2358 1 4 . 1 1 123 123 HIS CB C 123 30.145 30.145 28.620 1.525 19538 2359 1 4 . 1 1 123 123 HIS H H 123 8.172 8.172 7.863 0.309 19538 2360 1 4 . 1 1 124 124 PRO HA H 124 4.085 4.085 4.409 -0.324 19538 2361 1 4 . 1 1 124 124 PRO CA C 124 62.119 62.119 62.629 -0.510 19538 2362 1 4 . 1 1 124 124 PRO CB C 124 33.900 33.900 32.478 1.422 19538 2363 1 4 . 1 1 125 125 VAL N N 125 120.758 120.758 118.532 2.226 19538 2364 1 4 . 1 1 125 125 VAL HA H 125 4.085 4.085 3.739 0.346 19538 2365 1 4 . 1 1 125 125 VAL CA C 125 61.791 61.791 64.560 -2.769 19538 2366 1 4 . 1 1 125 125 VAL CB C 125 32.635 32.635 31.795 0.840 19538 2367 1 4 . 1 1 125 125 VAL H H 125 8.361 8.361 8.173 0.188 19538 2368 1 4 . 1 1 126 126 SER N N 126 119.450 119.450 117.231 2.219 19538 2369 1 4 . 1 1 126 126 SER HA H 126 4.417 4.417 4.457 -0.040 19538 2370 1 4 . 1 1 126 126 SER CA C 126 57.522 57.522 59.125 -1.603 19538 2371 1 4 . 1 1 126 126 SER CB C 126 63.634 63.634 62.265 1.369 19538 2372 1 4 . 1 1 126 126 SER H H 126 8.323 8.323 8.168 0.155 19538 2373 1 5 . 1 1 2 2 ALA N N 2 122.815 122.815 123.660 -0.845 19538 2374 1 5 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.944 -0.651 19538 2375 1 5 . 1 1 2 2 ALA CA C 2 52.085 52.085 52.851 -0.766 19538 2376 1 5 . 1 1 2 2 ALA CB C 2 19.067 19.067 18.927 0.140 19538 2377 1 5 . 1 1 2 2 ALA H H 2 8.102 8.102 8.428 -0.326 19538 2378 1 5 . 1 1 3 3 MET N N 3 119.897 119.897 121.755 -1.858 19538 2379 1 5 . 1 1 3 3 MET HA H 3 4.401 4.401 4.658 -0.257 19538 2380 1 5 . 1 1 3 3 MET CA C 3 55.339 55.339 55.441 -0.101 19538 2381 1 5 . 1 1 3 3 MET CB C 3 32.938 32.938 33.058 -0.120 19538 2382 1 5 . 1 1 3 3 MET H H 3 8.501 8.501 8.913 -0.412 19538 2383 1 5 . 1 1 4 4 GLY N N 4 110.174 110.174 107.132 3.042 19538 2384 1 5 . 1 1 4 4 GLY CA C 4 44.706 44.706 45.107 -0.401 19538 2385 1 5 . 1 1 4 4 GLY H H 4 8.498 8.498 8.587 -0.089 19538 2386 1 5 . 1 1 5 5 SER HA H 5 4.368 4.368 4.363 0.005 19538 2387 1 5 . 1 1 5 5 SER CA C 5 58.467 58.467 58.305 0.162 19538 2388 1 5 . 1 1 5 5 SER CB C 5 63.530 63.530 62.351 1.179 19538 2389 1 5 . 1 1 6 6 GLY CA C 6 45.983 45.983 47.913 -1.930 19538 2390 1 5 . 1 1 7 7 ASP N N 7 122.649 122.649 121.763 0.886 19538 2391 1 5 . 1 1 7 7 ASP HA H 7 4.375 4.375 4.526 -0.151 19538 2392 1 5 . 1 1 7 7 ASP CA C 7 56.523 56.523 56.920 -0.397 19538 2393 1 5 . 1 1 7 7 ASP CB C 7 40.235 40.235 39.686 0.549 19538 2394 1 5 . 1 1 7 7 ASP H H 7 8.457 8.457 7.958 0.499 19538 2395 1 5 . 1 1 8 8 THR N N 8 116.751 116.751 116.807 -0.056 19538 2396 1 5 . 1 1 8 8 THR HA H 8 3.853 3.853 3.966 -0.113 19538 2397 1 5 . 1 1 8 8 THR CA C 8 66.104 66.104 67.062 -0.958 19538 2398 1 5 . 1 1 8 8 THR CB C 8 68.047 68.047 68.431 -0.384 19538 2399 1 5 . 1 1 8 8 THR H H 8 8.128 8.128 8.114 0.014 19538 2400 1 5 . 1 1 9 9 GLN N N 9 120.186 120.186 121.340 -1.154 19538 2401 1 5 . 1 1 9 9 GLN HA H 9 4.038 4.038 4.192 -0.154 19538 2402 1 5 . 1 1 9 9 GLN CA C 9 58.699 58.699 59.238 -0.539 19538 2403 1 5 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.804 -0.704 19538 2404 1 5 . 1 1 9 9 GLN H H 9 7.831 7.831 8.909 -1.078 19538 2405 1 5 . 1 1 10 10 LEU N N 10 120.735 120.735 120.707 0.028 19538 2406 1 5 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.130 -0.213 19538 2407 1 5 . 1 1 10 10 LEU CA C 10 58.126 58.126 58.039 0.087 19538 2408 1 5 . 1 1 10 10 LEU CB C 10 41.935 41.935 41.747 0.188 19538 2409 1 5 . 1 1 10 10 LEU H H 10 7.670 7.670 9.041 -1.371 19538 2410 1 5 . 1 1 11 11 PHE N N 11 117.802 117.802 120.590 -2.788 19538 2411 1 5 . 1 1 11 11 PHE HA H 11 3.821 3.821 3.674 0.147 19538 2412 1 5 . 1 1 11 11 PHE CA C 11 60.224 60.224 62.208 -1.984 19538 2413 1 5 . 1 1 11 11 PHE CB C 11 38.798 38.798 38.855 -0.057 19538 2414 1 5 . 1 1 11 11 PHE H H 11 7.939 7.939 9.277 -1.338 19538 2415 1 5 . 1 1 12 12 ASN N N 12 117.152 117.152 117.782 -0.630 19538 2416 1 5 . 1 1 12 12 ASN HA H 12 3.868 3.868 4.141 -0.273 19538 2417 1 5 . 1 1 12 12 ASN CA C 12 55.410 55.410 56.775 -1.365 19538 2418 1 5 . 1 1 12 12 ASN CB C 12 37.188 37.188 38.241 -1.053 19538 2419 1 5 . 1 1 12 12 ASN H H 12 8.562 8.562 8.009 0.553 19538 2420 1 5 . 1 1 13 13 ARG N N 13 119.825 119.825 120.785 -0.960 19538 2421 1 5 . 1 1 13 13 ARG HA H 13 3.914 3.914 4.032 -0.118 19538 2422 1 5 . 1 1 13 13 ARG CA C 13 58.623 58.623 59.457 -0.834 19538 2423 1 5 . 1 1 13 13 ARG CB C 13 31.719 31.719 30.257 1.462 19538 2424 1 5 . 1 1 13 13 ARG H H 13 8.006 8.006 8.660 -0.654 19538 2425 1 5 . 1 1 14 14 ALA N N 14 122.749 122.749 123.141 -0.392 19538 2426 1 5 . 1 1 14 14 ALA HA H 14 3.938 3.938 4.116 -0.178 19538 2427 1 5 . 1 1 14 14 ALA CA C 14 54.976 54.976 55.092 -0.116 19538 2428 1 5 . 1 1 14 14 ALA CB C 14 19.446 19.446 18.525 0.921 19538 2429 1 5 . 1 1 14 14 ALA H H 14 8.163 8.163 8.807 -0.644 19538 2430 1 5 . 1 1 15 15 VAL N N 15 118.460 118.460 118.643 -0.183 19538 2431 1 5 . 1 1 15 15 VAL HA H 15 3.219 3.219 3.596 -0.377 19538 2432 1 5 . 1 1 15 15 VAL CA C 15 66.611 66.611 65.263 1.348 19538 2433 1 5 . 1 1 15 15 VAL CB C 15 30.889 30.889 30.291 0.598 19538 2434 1 5 . 1 1 15 15 VAL H H 15 8.718 8.718 8.374 0.344 19538 2435 1 5 . 1 1 16 16 SER N N 16 113.102 113.102 115.334 -2.232 19538 2436 1 5 . 1 1 16 16 SER HA H 16 4.144 4.144 4.053 0.091 19538 2437 1 5 . 1 1 16 16 SER CA C 16 60.888 60.888 61.624 -0.736 19538 2438 1 5 . 1 1 16 16 SER CB C 16 62.503 62.503 62.889 -0.386 19538 2439 1 5 . 1 1 16 16 SER H H 16 7.243 7.243 7.848 -0.605 19538 2440 1 5 . 1 1 17 17 MET N N 17 117.447 117.447 119.736 -2.289 19538 2441 1 5 . 1 1 17 17 MET HA H 17 3.875 3.875 4.082 -0.207 19538 2442 1 5 . 1 1 17 17 MET CA C 17 58.575 58.575 58.842 -0.267 19538 2443 1 5 . 1 1 17 17 MET CB C 17 33.489 33.489 33.037 0.452 19538 2444 1 5 . 1 1 17 17 MET H H 17 7.232 7.232 7.542 -0.310 19538 2445 1 5 . 1 1 18 18 VAL N N 18 117.842 117.842 114.247 3.595 19538 2446 1 5 . 1 1 18 18 VAL HA H 18 3.357 3.357 3.869 -0.512 19538 2447 1 5 . 1 1 18 18 VAL CA C 18 66.065 66.065 65.519 0.546 19538 2448 1 5 . 1 1 18 18 VAL CB C 18 31.686 31.686 31.514 0.172 19538 2449 1 5 . 1 1 18 18 VAL H H 18 7.678 7.678 8.259 -0.581 19538 2450 1 5 . 1 1 19 19 GLU N N 19 113.150 113.150 119.862 -6.712 19538 2451 1 5 . 1 1 19 19 GLU HA H 19 3.618 3.618 3.930 -0.312 19538 2452 1 5 . 1 1 19 19 GLU CA C 19 58.198 58.198 59.562 -1.364 19538 2453 1 5 . 1 1 19 19 GLU CB C 19 29.786 29.786 29.596 0.189 19538 2454 1 5 . 1 1 19 19 GLU H H 19 8.378 8.378 8.243 0.135 19538 2455 1 5 . 1 1 20 20 LYS N N 20 114.076 114.076 113.578 0.498 19538 2456 1 5 . 1 1 20 20 LYS HA H 20 4.243 4.243 4.322 -0.079 19538 2457 1 5 . 1 1 20 20 LYS CA C 20 55.725 55.725 54.423 1.302 19538 2458 1 5 . 1 1 20 20 LYS CB C 20 33.032 33.032 32.110 0.922 19538 2459 1 5 . 1 1 20 20 LYS H H 20 7.072 7.072 7.405 -0.333 19538 2460 1 5 . 1 1 21 21 ASN N N 21 121.025 121.025 121.029 -0.004 19538 2461 1 5 . 1 1 21 21 ASN HA H 21 4.555 4.555 4.439 0.116 19538 2462 1 5 . 1 1 21 21 ASN CA C 21 53.766 53.766 53.222 0.544 19538 2463 1 5 . 1 1 21 21 ASN CB C 21 39.835 39.835 39.535 0.300 19538 2464 1 5 . 1 1 21 21 ASN H H 21 7.230 7.230 7.465 -0.235 19538 2465 1 5 . 1 1 22 22 LYS N N 22 128.112 128.112 126.944 1.168 19538 2466 1 5 . 1 1 22 22 LYS HA H 22 3.698 3.698 3.876 -0.178 19538 2467 1 5 . 1 1 22 22 LYS CA C 22 59.519 59.519 59.465 0.054 19538 2468 1 5 . 1 1 22 22 LYS CB C 22 32.140 32.140 31.462 0.678 19538 2469 1 5 . 1 1 22 22 LYS H H 22 8.846 8.846 8.780 0.066 19538 2470 1 5 . 1 1 23 23 ASP N N 23 120.250 120.250 120.663 -0.413 19538 2471 1 5 . 1 1 23 23 ASP HA H 23 4.297 4.297 4.361 -0.064 19538 2472 1 5 . 1 1 23 23 ASP CA C 23 56.787 56.787 57.265 -0.478 19538 2473 1 5 . 1 1 23 23 ASP CB C 23 39.444 39.444 40.630 -1.186 19538 2474 1 5 . 1 1 23 23 ASP H H 23 7.731 7.731 7.767 -0.036 19538 2475 1 5 . 1 1 24 24 ILE N N 24 121.988 121.988 121.081 0.907 19538 2476 1 5 . 1 1 24 24 ILE HA H 24 3.219 3.219 3.395 -0.176 19538 2477 1 5 . 1 1 24 24 ILE CA C 24 63.375 63.375 65.465 -2.090 19538 2478 1 5 . 1 1 24 24 ILE CB C 24 35.424 35.424 37.567 -2.143 19538 2479 1 5 . 1 1 24 24 ILE H H 24 8.431 8.431 7.897 0.534 19538 2480 1 5 . 1 1 25 25 ARG N N 25 118.181 118.181 120.372 -2.191 19538 2481 1 5 . 1 1 25 25 ARG HA H 25 3.810 3.810 3.851 -0.041 19538 2482 1 5 . 1 1 25 25 ARG CA C 25 60.546 60.546 60.355 0.191 19538 2483 1 5 . 1 1 25 25 ARG CB C 25 30.205 30.205 29.838 0.367 19538 2484 1 5 . 1 1 25 25 ARG H H 25 8.206 8.206 8.798 -0.592 19538 2485 1 5 . 1 1 26 26 SER N N 26 112.549 112.549 115.557 -3.008 19538 2486 1 5 . 1 1 26 26 SER HA H 26 4.373 4.373 4.183 0.190 19538 2487 1 5 . 1 1 26 26 SER CA C 26 61.040 61.040 62.399 -1.359 19538 2488 1 5 . 1 1 26 26 SER CB C 26 62.096 62.096 63.017 -0.921 19538 2489 1 5 . 1 1 26 26 SER H H 26 7.518 7.518 7.655 -0.137 19538 2490 1 5 . 1 1 27 27 LEU N N 27 125.275 125.275 122.802 2.473 19538 2491 1 5 . 1 1 27 27 LEU HA H 27 4.013 4.013 4.064 -0.051 19538 2492 1 5 . 1 1 27 27 LEU CA C 27 57.652 57.652 57.576 0.076 19538 2493 1 5 . 1 1 27 27 LEU CB C 27 42.548 42.548 42.165 0.383 19538 2494 1 5 . 1 1 27 27 LEU H H 27 8.050 8.050 7.985 0.065 19538 2495 1 5 . 1 1 28 28 LEU N N 28 114.725 114.725 114.532 0.193 19538 2496 1 5 . 1 1 28 28 LEU HA H 28 3.863 3.863 4.285 -0.422 19538 2497 1 5 . 1 1 28 28 LEU CA C 28 54.299 54.299 54.854 -0.555 19538 2498 1 5 . 1 1 28 28 LEU CB C 28 42.874 42.874 41.340 1.534 19538 2499 1 5 . 1 1 28 28 LEU H H 28 8.010 8.010 8.596 -0.586 19538 2500 1 5 . 1 1 29 29 GLN N N 29 116.444 116.444 114.311 2.133 19538 2501 1 5 . 1 1 29 29 GLN HA H 29 3.854 3.854 3.988 -0.134 19538 2502 1 5 . 1 1 29 29 GLN CA C 29 55.652 55.652 56.249 -0.597 19538 2503 1 5 . 1 1 29 29 GLN CB C 29 25.300 25.300 25.330 -0.030 19538 2504 1 5 . 1 1 29 29 GLN H H 29 7.972 7.972 8.060 -0.088 19538 2505 1 5 . 1 1 30 30 CYS N N 30 116.363 116.363 120.525 -4.162 19538 2506 1 5 . 1 1 30 30 CYS HA H 30 4.133 4.133 4.154 -0.021 19538 2507 1 5 . 1 1 30 30 CYS CA C 30 61.559 61.559 59.658 1.901 19538 2508 1 5 . 1 1 30 30 CYS CB C 30 27.701 27.701 26.235 1.466 19538 2509 1 5 . 1 1 30 30 CYS H H 30 7.847 7.847 9.028 -1.181 19538 2510 1 5 . 1 1 31 31 ASP N N 31 125.091 125.091 126.013 -0.922 19538 2511 1 5 . 1 1 31 31 ASP HA H 31 4.598 4.598 4.689 -0.091 19538 2512 1 5 . 1 1 31 31 ASP CA C 31 52.428 52.428 54.498 -2.070 19538 2513 1 5 . 1 1 31 31 ASP CB C 31 39.156 39.156 41.107 -1.951 19538 2514 1 5 . 1 1 31 31 ASP H H 31 9.918 9.918 8.678 1.240 19538 2515 1 5 . 1 1 32 32 ASP N N 32 124.593 124.593 119.532 5.061 19538 2516 1 5 . 1 1 32 32 ASP HA H 32 5.131 5.131 4.245 0.886 19538 2517 1 5 . 1 1 32 32 ASP CA C 32 52.190 52.190 56.065 -3.875 19538 2518 1 5 . 1 1 32 32 ASP CB C 32 41.542 41.542 39.921 1.621 19538 2519 1 5 . 1 1 32 32 ASP H H 32 7.532 7.532 7.949 -0.417 19538 2520 1 5 . 1 1 33 33 GLY N N 33 109.888 109.888 113.508 -3.620 19538 2521 1 5 . 1 1 33 33 GLY CA C 33 44.840 44.840 45.391 -0.551 19538 2522 1 5 . 1 1 33 33 GLY H H 33 7.912 7.912 8.978 -1.066 19538 2523 1 5 . 1 1 34 34 ILE HA H 34 3.978 3.978 4.002 -0.024 19538 2524 1 5 . 1 1 34 34 ILE CA C 34 63.210 63.210 63.805 -0.595 19538 2525 1 5 . 1 1 34 34 ILE CB C 34 38.027 38.027 38.652 -0.625 19538 2526 1 5 . 1 1 35 35 THR N N 35 109.823 109.823 112.394 -2.571 19538 2527 1 5 . 1 1 35 35 THR HA H 35 4.291 4.291 4.462 -0.171 19538 2528 1 5 . 1 1 35 35 THR CA C 35 61.511 61.511 60.864 0.647 19538 2529 1 5 . 1 1 35 35 THR CB C 35 68.374 68.374 68.924 -0.549 19538 2530 1 5 . 1 1 35 35 THR H H 35 7.995 7.995 7.887 0.108 19538 2531 1 5 . 1 1 36 36 GLY N N 36 109.916 109.916 109.671 0.245 19538 2532 1 5 . 1 1 36 36 GLY CA C 36 44.282 44.282 44.703 -0.421 19538 2533 1 5 . 1 1 36 36 GLY H H 36 7.564 7.564 7.673 -0.109 19538 2534 1 5 . 1 1 37 37 LYS N N 37 119.833 119.833 120.963 -1.130 19538 2535 1 5 . 1 1 37 37 LYS HA H 37 4.442 4.442 4.843 -0.401 19538 2536 1 5 . 1 1 37 37 LYS CA C 37 54.520 54.520 55.482 -0.962 19538 2537 1 5 . 1 1 37 37 LYS CB C 37 33.208 33.208 33.952 -0.744 19538 2538 1 5 . 1 1 37 37 LYS H H 37 8.236 8.236 8.321 -0.085 19538 2539 1 5 . 1 1 38 38 GLU N N 38 125.697 125.697 124.468 1.229 19538 2540 1 5 . 1 1 38 38 GLU HA H 38 3.907 3.907 4.482 -0.575 19538 2541 1 5 . 1 1 38 38 GLU CA C 38 56.731 56.731 55.241 1.490 19538 2542 1 5 . 1 1 38 38 GLU CB C 38 29.779 29.779 32.134 -2.355 19538 2543 1 5 . 1 1 38 38 GLU H H 38 8.175 8.175 8.646 -0.471 19538 2544 1 5 . 1 1 39 39 ARG N N 39 128.738 128.738 123.810 4.928 19538 2545 1 5 . 1 1 39 39 ARG HA H 39 4.260 4.260 4.266 -0.005 19538 2546 1 5 . 1 1 39 39 ARG CA C 39 55.343 55.343 55.868 -0.525 19538 2547 1 5 . 1 1 39 39 ARG CB C 39 29.529 29.529 30.454 -0.925 19538 2548 1 5 . 1 1 39 39 ARG H H 39 8.920 8.920 8.576 0.344 19538 2549 1 5 . 1 1 40 40 LEU N N 40 127.659 127.659 124.872 2.787 19538 2550 1 5 . 1 1 40 40 LEU HA H 40 4.488 4.488 4.207 0.281 19538 2551 1 5 . 1 1 40 40 LEU CA C 40 53.848 53.848 55.611 -1.763 19538 2552 1 5 . 1 1 40 40 LEU CB C 40 42.333 42.333 42.105 0.228 19538 2553 1 5 . 1 1 40 40 LEU H H 40 8.670 8.670 8.471 0.199 19538 2554 1 5 . 1 1 41 41 LYS N N 41 121.136 121.136 124.275 -3.139 19538 2555 1 5 . 1 1 41 41 LYS HA H 41 4.647 4.647 4.667 -0.020 19538 2556 1 5 . 1 1 41 41 LYS CA C 41 55.062 55.062 54.813 0.249 19538 2557 1 5 . 1 1 41 41 LYS CB C 41 35.064 35.064 35.829 -0.765 19538 2558 1 5 . 1 1 41 41 LYS H H 41 8.273 8.273 8.037 0.236 19538 2559 1 5 . 1 1 42 42 ALA N N 42 123.758 123.758 125.506 -1.748 19538 2560 1 5 . 1 1 42 42 ALA HA H 42 5.605 5.605 5.251 0.354 19538 2561 1 5 . 1 1 42 42 ALA CA C 42 50.529 50.529 50.802 -0.273 19538 2562 1 5 . 1 1 42 42 ALA CB C 42 22.577 22.577 22.401 0.176 19538 2563 1 5 . 1 1 42 42 ALA H H 42 8.488 8.488 8.493 -0.005 19538 2564 1 5 . 1 1 43 43 TYR N N 43 116.716 116.716 119.020 -2.304 19538 2565 1 5 . 1 1 43 43 TYR HA H 43 4.758 4.758 4.838 -0.080 19538 2566 1 5 . 1 1 43 43 TYR CA C 43 55.975 55.975 56.046 -0.071 19538 2567 1 5 . 1 1 43 43 TYR CB C 43 38.409 38.409 39.537 -1.128 19538 2568 1 5 . 1 1 43 43 TYR H H 43 8.123 8.123 9.182 -1.059 19538 2569 1 5 . 1 1 44 44 GLY N N 44 106.591 106.591 106.996 -0.405 19538 2570 1 5 . 1 1 44 44 GLY CA C 44 45.172 45.172 44.617 0.555 19538 2571 1 5 . 1 1 44 44 GLY H H 44 8.663 8.663 8.629 0.034 19538 2572 1 5 . 1 1 45 45 GLU N N 45 118.850 118.850 120.052 -1.202 19538 2573 1 5 . 1 1 45 45 GLU HA H 45 4.310 4.310 3.855 0.455 19538 2574 1 5 . 1 1 45 45 GLU CA C 45 56.286 56.286 57.392 -1.106 19538 2575 1 5 . 1 1 45 45 GLU CB C 45 31.304 31.304 30.026 1.278 19538 2576 1 5 . 1 1 45 45 GLU H H 45 8.287 8.287 8.108 0.179 19538 2577 1 5 . 1 1 46 46 LEU N N 46 124.692 124.692 123.906 0.786 19538 2578 1 5 . 1 1 46 46 LEU HA H 46 4.361 4.361 4.209 0.152 19538 2579 1 5 . 1 1 46 46 LEU CA C 46 54.967 54.967 57.299 -2.332 19538 2580 1 5 . 1 1 46 46 LEU CB C 46 41.980 41.980 42.086 -0.105 19538 2581 1 5 . 1 1 46 46 LEU H H 46 9.010 9.010 8.293 0.717 19538 2582 1 5 . 1 1 47 47 ILE N N 47 123.302 123.302 114.924 8.378 19538 2583 1 5 . 1 1 47 47 ILE HA H 47 4.272 4.272 3.864 0.408 19538 2584 1 5 . 1 1 47 47 ILE CA C 47 60.399 60.399 63.561 -3.162 19538 2585 1 5 . 1 1 47 47 ILE CB C 47 38.676 38.676 36.959 1.717 19538 2586 1 5 . 1 1 47 47 ILE H H 47 8.407 8.407 7.840 0.567 19538 2587 1 5 . 1 1 48 48 THR N N 48 117.749 117.749 113.999 3.750 19538 2588 1 5 . 1 1 48 48 THR HA H 48 4.330 4.330 3.943 0.387 19538 2589 1 5 . 1 1 48 48 THR CA C 48 61.234 61.234 65.524 -4.290 19538 2590 1 5 . 1 1 48 48 THR CB C 48 69.327 69.327 68.522 0.805 19538 2591 1 5 . 1 1 48 48 THR H H 48 8.183 8.183 7.768 0.415 19538 2592 1 5 . 1 1 49 49 ASN N N 49 120.102 120.102 116.703 3.399 19538 2593 1 5 . 1 1 49 49 ASN HA H 49 4.585 4.585 4.521 0.064 19538 2594 1 5 . 1 1 49 49 ASN CA C 49 53.193 53.193 53.657 -0.464 19538 2595 1 5 . 1 1 49 49 ASN CB C 49 38.261 38.261 38.497 -0.236 19538 2596 1 5 . 1 1 49 49 ASN H H 49 8.418 8.418 7.600 0.818 19538 2597 1 5 . 1 1 50 50 ASP N N 50 119.783 119.783 120.120 -0.337 19538 2598 1 5 . 1 1 50 50 ASP HA H 50 4.454 4.454 4.354 0.100 19538 2599 1 5 . 1 1 50 50 ASP CA C 50 53.950 53.950 56.305 -2.355 19538 2600 1 5 . 1 1 50 50 ASP CB C 50 41.231 41.231 40.780 0.451 19538 2601 1 5 . 1 1 50 50 ASP H H 50 8.096 8.096 7.868 0.228 19538 2602 1 5 . 1 1 51 51 LYS N N 51 120.547 120.547 117.977 2.570 19538 2603 1 5 . 1 1 51 51 LYS HA H 51 4.017 4.017 3.883 0.134 19538 2604 1 5 . 1 1 51 51 LYS CA C 51 56.633 56.633 57.007 -0.374 19538 2605 1 5 . 1 1 51 51 LYS CB C 51 32.052 32.052 32.897 -0.845 19538 2606 1 5 . 1 1 51 51 LYS H H 51 8.173 8.173 7.445 0.728 19538 2607 1 5 . 1 1 52 52 TRP N N 52 120.062 120.062 117.082 2.980 19538 2608 1 5 . 1 1 52 52 TRP HA H 52 4.617 4.617 4.971 -0.354 19538 2609 1 5 . 1 1 52 52 TRP CA C 52 57.045 57.045 56.237 0.808 19538 2610 1 5 . 1 1 52 52 TRP CB C 52 29.251 29.251 30.316 -1.065 19538 2611 1 5 . 1 1 52 52 TRP H H 52 8.094 8.094 7.188 0.906 19538 2612 1 5 . 1 1 53 53 THR N N 53 115.770 115.770 115.224 0.546 19538 2613 1 5 . 1 1 53 53 THR HA H 53 4.262 4.262 4.134 0.128 19538 2614 1 5 . 1 1 53 53 THR CA C 53 61.625 61.625 64.085 -2.460 19538 2615 1 5 . 1 1 53 53 THR CB C 53 69.153 69.153 68.266 0.887 19538 2616 1 5 . 1 1 53 53 THR H H 53 7.789 7.789 7.703 0.086 19538 2617 1 5 . 1 1 54 54 ARG N N 54 122.136 122.136 119.537 2.599 19538 2618 1 5 . 1 1 54 54 ARG HA H 54 4.133 4.133 3.820 0.313 19538 2619 1 5 . 1 1 54 54 ARG CA C 54 56.038 56.038 57.099 -1.061 19538 2620 1 5 . 1 1 54 54 ARG CB C 54 30.441 30.441 28.069 2.373 19538 2621 1 5 . 1 1 54 54 ARG H H 54 8.191 8.191 8.027 0.164 19538 2622 1 5 . 1 1 55 55 ASN N N 55 117.842 117.842 117.769 0.073 19538 2623 1 5 . 1 1 55 55 ASN HA H 55 4.713 4.713 4.412 0.301 19538 2624 1 5 . 1 1 55 55 ASN CA C 55 52.873 52.873 55.605 -2.732 19538 2625 1 5 . 1 1 55 55 ASN CB C 55 38.769 38.769 38.841 -0.072 19538 2626 1 5 . 1 1 55 55 ASN H H 55 8.205 8.205 8.529 -0.324 19538 2627 1 5 . 1 1 56 56 ARG N N 56 121.615 121.615 118.568 3.047 19538 2628 1 5 . 1 1 56 56 ARG HA H 56 4.542 4.542 4.930 -0.388 19538 2629 1 5 . 1 1 56 56 ARG CA C 56 53.765 53.765 52.540 1.225 19538 2630 1 5 . 1 1 56 56 ARG CB C 56 30.009 30.009 29.759 0.251 19538 2631 1 5 . 1 1 56 56 ARG H H 56 8.246 8.246 7.946 0.300 19538 2632 1 5 . 1 1 57 57 PRO HA H 57 4.273 4.273 4.596 -0.323 19538 2633 1 5 . 1 1 57 57 PRO CA C 57 62.424 62.424 61.325 1.099 19538 2634 1 5 . 1 1 57 57 PRO CB C 57 31.987 31.987 32.640 -0.653 19538 2635 1 5 . 1 1 58 58 ILE N N 58 122.700 122.700 120.611 2.089 19538 2636 1 5 . 1 1 58 58 ILE HA H 58 4.089 4.089 4.293 -0.204 19538 2637 1 5 . 1 1 58 58 ILE CA C 58 60.655 60.655 62.298 -1.643 19538 2638 1 5 . 1 1 58 58 ILE CB C 58 37.111 37.111 36.094 1.017 19538 2639 1 5 . 1 1 58 58 ILE H H 58 8.098 8.098 8.359 -0.261 19538 2640 1 5 . 1 1 59 59 VAL N N 59 124.097 124.097 122.119 1.978 19538 2641 1 5 . 1 1 59 59 VAL HA H 59 4.549 4.549 4.759 -0.210 19538 2642 1 5 . 1 1 59 59 VAL CA C 59 59.613 59.613 60.129 -0.516 19538 2643 1 5 . 1 1 59 59 VAL CB C 59 34.980 34.980 35.392 -0.412 19538 2644 1 5 . 1 1 59 59 VAL H H 59 8.167 8.167 8.692 -0.525 19538 2645 1 5 . 1 1 60 60 SER N N 60 119.752 119.752 121.628 -1.876 19538 2646 1 5 . 1 1 60 60 SER HA H 60 5.136 5.136 5.208 -0.072 19538 2647 1 5 . 1 1 60 60 SER CA C 60 56.467 56.467 56.162 0.305 19538 2648 1 5 . 1 1 60 60 SER CB C 60 64.890 64.890 63.194 1.696 19538 2649 1 5 . 1 1 60 60 SER H H 60 8.592 8.592 10.052 -1.460 19538 2650 1 5 . 1 1 61 61 THR N N 61 117.559 117.559 118.035 -0.476 19538 2651 1 5 . 1 1 61 61 THR HA H 61 4.576 4.576 4.286 0.290 19538 2652 1 5 . 1 1 61 61 THR CA C 61 61.348 61.348 62.517 -1.169 19538 2653 1 5 . 1 1 61 61 THR CB C 61 70.276 70.276 69.548 0.728 19538 2654 1 5 . 1 1 61 61 THR H H 61 9.214 9.214 8.541 0.673 19538 2655 1 5 . 1 1 62 62 LYS N N 62 123.743 123.743 125.185 -1.442 19538 2656 1 5 . 1 1 62 62 LYS HA H 62 5.507 5.507 4.948 0.559 19538 2657 1 5 . 1 1 62 62 LYS CA C 62 54.843 54.843 54.768 0.075 19538 2658 1 5 . 1 1 62 62 LYS CB C 62 35.211 35.211 33.069 2.142 19538 2659 1 5 . 1 1 62 62 LYS H H 62 8.687 8.687 8.414 0.273 19538 2660 1 5 . 1 1 63 63 LYS N N 63 121.218 121.218 125.958 -4.740 19538 2661 1 5 . 1 1 63 63 LYS HA H 63 4.595 4.595 4.629 -0.034 19538 2662 1 5 . 1 1 63 63 LYS CA C 63 54.760 54.760 55.251 -0.491 19538 2663 1 5 . 1 1 63 63 LYS CB C 63 36.712 36.712 34.865 1.847 19538 2664 1 5 . 1 1 63 63 LYS H H 63 8.797 8.797 9.219 -0.422 19538 2665 1 5 . 1 1 64 64 LEU N N 64 124.605 124.605 129.398 -4.793 19538 2666 1 5 . 1 1 64 64 LEU HA H 64 4.920 4.920 4.545 0.375 19538 2667 1 5 . 1 1 64 64 LEU CA C 64 53.797 53.797 54.100 -0.303 19538 2668 1 5 . 1 1 64 64 LEU CB C 64 43.553 43.553 41.562 1.990 19538 2669 1 5 . 1 1 64 64 LEU H H 64 8.604 8.604 8.894 -0.290 19538 2670 1 5 . 1 1 65 65 ASP N N 65 122.577 122.577 125.233 -2.656 19538 2671 1 5 . 1 1 65 65 ASP HA H 65 4.664 4.664 4.893 -0.229 19538 2672 1 5 . 1 1 65 65 ASP CA C 65 51.824 51.824 53.647 -1.823 19538 2673 1 5 . 1 1 65 65 ASP CB C 65 41.277 41.277 42.863 -1.586 19538 2674 1 5 . 1 1 65 65 ASP H H 65 8.455 8.455 7.820 0.635 19538 2675 1 5 . 1 1 66 66 LYS N N 66 117.718 117.718 119.296 -1.578 19538 2676 1 5 . 1 1 66 66 LYS HA H 66 4.052 4.052 4.008 0.044 19538 2677 1 5 . 1 1 66 66 LYS CA C 66 58.116 58.116 58.641 -0.525 19538 2678 1 5 . 1 1 66 66 LYS CB C 66 31.677 31.677 31.827 -0.150 19538 2679 1 5 . 1 1 66 66 LYS H H 66 8.339 8.339 8.684 -0.345 19538 2680 1 5 . 1 1 67 67 GLU N N 67 118.253 118.253 119.290 -1.037 19538 2681 1 5 . 1 1 67 67 GLU HA H 67 4.323 4.323 4.170 0.153 19538 2682 1 5 . 1 1 67 67 GLU CA C 67 56.018 56.018 57.414 -1.396 19538 2683 1 5 . 1 1 67 67 GLU CB C 67 29.587 29.587 29.713 -0.126 19538 2684 1 5 . 1 1 67 67 GLU H H 67 8.096 8.096 8.045 0.051 19538 2685 1 5 . 1 1 68 68 GLY N N 68 107.960 107.960 105.915 2.045 19538 2686 1 5 . 1 1 68 68 GLY CA C 68 45.213 45.213 45.760 -0.547 19538 2687 1 5 . 1 1 68 68 GLY H H 68 8.168 8.168 8.610 -0.442 19538 2688 1 5 . 1 1 69 69 ARG N N 69 121.436 121.436 118.960 2.476 19538 2689 1 5 . 1 1 69 69 ARG HA H 69 4.482 4.482 4.980 -0.498 19538 2690 1 5 . 1 1 69 69 ARG CA C 69 54.229 54.229 52.745 1.484 19538 2691 1 5 . 1 1 69 69 ARG CB C 69 30.399 30.399 31.653 -1.254 19538 2692 1 5 . 1 1 69 69 ARG H H 69 8.590 8.590 7.512 1.078 19538 2693 1 5 . 1 1 70 70 THR N N 70 120.709 120.709 120.528 0.181 19538 2694 1 5 . 1 1 70 70 THR HA H 70 4.298 4.298 4.362 -0.064 19538 2695 1 5 . 1 1 70 70 THR CA C 70 64.365 64.365 62.897 1.468 19538 2696 1 5 . 1 1 70 70 THR CB C 70 68.832 68.832 68.612 0.220 19538 2697 1 5 . 1 1 70 70 THR H H 70 8.822 8.822 8.301 0.521 19538 2698 1 5 . 1 1 71 71 HIS N N 71 127.496 127.496 127.996 -0.500 19538 2699 1 5 . 1 1 71 71 HIS HA H 71 5.138 5.138 4.739 0.399 19538 2700 1 5 . 1 1 71 71 HIS CA C 71 53.948 53.948 55.678 -1.730 19538 2701 1 5 . 1 1 71 71 HIS CB C 71 31.791 31.791 31.417 0.374 19538 2702 1 5 . 1 1 71 71 HIS H H 71 9.384 9.384 9.765 -0.381 19538 2703 1 5 . 1 1 72 72 HIS N N 72 121.684 121.684 127.157 -5.473 19538 2704 1 5 . 1 1 72 72 HIS HA H 72 5.094 5.094 5.408 -0.314 19538 2705 1 5 . 1 1 72 72 HIS CA C 72 54.390 54.390 53.943 0.447 19538 2706 1 5 . 1 1 72 72 HIS CB C 72 33.961 33.961 31.482 2.479 19538 2707 1 5 . 1 1 72 72 HIS H H 72 9.076 9.076 9.459 -0.383 19538 2708 1 5 . 1 1 73 73 TYR N N 73 121.287 121.287 124.317 -3.030 19538 2709 1 5 . 1 1 73 73 TYR HA H 73 5.305 5.305 5.015 0.290 19538 2710 1 5 . 1 1 73 73 TYR CA C 73 56.017 56.017 57.156 -1.139 19538 2711 1 5 . 1 1 73 73 TYR CB C 73 39.479 39.479 38.833 0.646 19538 2712 1 5 . 1 1 73 73 TYR H H 73 9.305 9.305 8.871 0.434 19538 2713 1 5 . 1 1 74 74 MET N N 74 124.078 124.078 124.890 -0.812 19538 2714 1 5 . 1 1 74 74 MET HA H 74 4.867 4.867 5.584 -0.717 19538 2715 1 5 . 1 1 74 74 MET CA C 74 54.701 54.701 54.082 0.619 19538 2716 1 5 . 1 1 74 74 MET CB C 74 38.007 38.007 36.370 1.637 19538 2717 1 5 . 1 1 74 74 MET H H 74 8.761 8.761 9.545 -0.784 19538 2718 1 5 . 1 1 75 75 ARG N N 75 123.962 123.962 124.025 -0.063 19538 2719 1 5 . 1 1 75 75 ARG HA H 75 5.471 5.471 5.708 -0.237 19538 2720 1 5 . 1 1 75 75 ARG CA C 75 53.340 53.340 54.179 -0.839 19538 2721 1 5 . 1 1 75 75 ARG CB C 75 34.441 34.441 33.385 1.056 19538 2722 1 5 . 1 1 75 75 ARG H H 75 8.427 8.427 8.415 0.012 19538 2723 1 5 . 1 1 76 76 PHE N N 76 114.935 114.935 116.406 -1.471 19538 2724 1 5 . 1 1 76 76 PHE HA H 76 4.621 4.621 5.129 -0.508 19538 2725 1 5 . 1 1 76 76 PHE CA C 76 55.856 55.856 56.774 -0.918 19538 2726 1 5 . 1 1 76 76 PHE CB C 76 39.167 39.167 41.559 -2.392 19538 2727 1 5 . 1 1 76 76 PHE H H 76 8.296 8.296 8.790 -0.494 19538 2728 1 5 . 1 1 77 77 HIS N N 77 117.830 117.830 119.511 -1.681 19538 2729 1 5 . 1 1 77 77 HIS HA H 77 5.451 5.451 5.594 -0.143 19538 2730 1 5 . 1 1 77 77 HIS CA C 77 54.767 54.767 55.371 -0.604 19538 2731 1 5 . 1 1 77 77 HIS CB C 77 31.102 31.102 32.727 -1.625 19538 2732 1 5 . 1 1 77 77 HIS H H 77 9.190 9.190 9.666 -0.476 19538 2733 1 5 . 1 1 78 78 VAL N N 78 114.372 114.372 118.086 -3.714 19538 2734 1 5 . 1 1 78 78 VAL HA H 78 5.110 5.110 5.026 0.084 19538 2735 1 5 . 1 1 78 78 VAL CA C 78 59.653 59.653 59.003 0.650 19538 2736 1 5 . 1 1 78 78 VAL CB C 78 35.073 35.073 35.814 -0.741 19538 2737 1 5 . 1 1 78 78 VAL H H 78 7.860 7.860 9.382 -1.522 19538 2738 1 5 . 1 1 79 79 GLU N N 79 126.076 126.076 123.669 2.407 19538 2739 1 5 . 1 1 79 79 GLU HA H 79 5.400 5.400 4.886 0.514 19538 2740 1 5 . 1 1 79 79 GLU CA C 79 54.316 54.316 55.313 -0.997 19538 2741 1 5 . 1 1 79 79 GLU CB C 79 34.060 34.060 31.340 2.720 19538 2742 1 5 . 1 1 79 79 GLU H H 79 9.213 9.213 9.107 0.106 19538 2743 1 5 . 1 1 80 80 SER N N 80 124.627 124.627 122.429 2.198 19538 2744 1 5 . 1 1 80 80 SER HA H 80 4.892 4.892 4.589 0.303 19538 2745 1 5 . 1 1 80 80 SER CA C 80 54.930 54.930 56.827 -1.897 19538 2746 1 5 . 1 1 80 80 SER CB C 80 67.503 67.503 64.252 3.251 19538 2747 1 5 . 1 1 80 80 SER H H 80 9.464 9.464 9.122 0.342 19538 2748 1 5 . 1 1 81 81 LYS N N 81 119.240 119.240 120.816 -1.576 19538 2749 1 5 . 1 1 81 81 LYS HA H 81 4.000 4.000 4.161 -0.161 19538 2750 1 5 . 1 1 81 81 LYS CA C 81 59.099 59.099 58.621 0.478 19538 2751 1 5 . 1 1 81 81 LYS CB C 81 31.721 31.721 32.323 -0.602 19538 2752 1 5 . 1 1 81 81 LYS H H 81 10.052 10.052 8.428 1.624 19538 2753 1 5 . 1 1 82 82 LYS N N 82 114.688 114.688 114.579 0.109 19538 2754 1 5 . 1 1 82 82 LYS HA H 82 4.365 4.365 4.437 -0.072 19538 2755 1 5 . 1 1 82 82 LYS CA C 82 56.211 56.211 56.250 -0.039 19538 2756 1 5 . 1 1 82 82 LYS CB C 82 36.484 36.484 34.010 2.474 19538 2757 1 5 . 1 1 82 82 LYS H H 82 7.782 7.782 8.258 -0.476 19538 2758 1 5 . 1 1 83 83 LYS N N 83 118.992 118.992 118.741 0.251 19538 2759 1 5 . 1 1 83 83 LYS HA H 83 4.749 4.749 4.683 0.066 19538 2760 1 5 . 1 1 83 83 LYS CA C 83 53.590 53.590 54.515 -0.925 19538 2761 1 5 . 1 1 83 83 LYS CB C 83 39.218 39.218 36.569 2.648 19538 2762 1 5 . 1 1 83 83 LYS H H 83 7.962 7.962 7.602 0.360 19538 2763 1 5 . 1 1 84 84 ILE N N 84 118.513 118.513 120.127 -1.614 19538 2764 1 5 . 1 1 84 84 ILE HA H 84 4.556 4.556 4.751 -0.195 19538 2765 1 5 . 1 1 84 84 ILE CA C 84 60.643 60.643 60.395 0.248 19538 2766 1 5 . 1 1 84 84 ILE CB C 84 39.946 39.946 39.402 0.544 19538 2767 1 5 . 1 1 84 84 ILE H H 84 7.927 7.927 8.542 -0.615 19538 2768 1 5 . 1 1 85 85 ALA N N 85 127.327 127.327 130.026 -2.699 19538 2769 1 5 . 1 1 85 85 ALA HA H 85 5.048 5.048 5.127 -0.079 19538 2770 1 5 . 1 1 85 85 ALA CA C 85 49.316 49.316 49.751 -0.435 19538 2771 1 5 . 1 1 85 85 ALA CB C 85 24.205 24.205 22.853 1.352 19538 2772 1 5 . 1 1 85 85 ALA H H 85 9.211 9.211 9.212 -0.001 19538 2773 1 5 . 1 1 86 86 LEU N N 86 122.978 122.978 122.912 0.066 19538 2774 1 5 . 1 1 86 86 LEU HA H 86 4.554 4.554 4.731 -0.177 19538 2775 1 5 . 1 1 86 86 LEU CA C 86 53.671 53.671 53.032 0.639 19538 2776 1 5 . 1 1 86 86 LEU CB C 86 44.396 44.396 45.233 -0.837 19538 2777 1 5 . 1 1 86 86 LEU H H 86 8.312 8.312 9.032 -0.720 19538 2778 1 5 . 1 1 87 87 VAL N N 87 127.511 127.511 125.770 1.741 19538 2779 1 5 . 1 1 87 87 VAL HA H 87 4.244 4.244 4.465 -0.221 19538 2780 1 5 . 1 1 87 87 VAL CA C 87 60.226 60.226 60.435 -0.209 19538 2781 1 5 . 1 1 87 87 VAL CB C 87 31.609 31.609 33.093 -1.484 19538 2782 1 5 . 1 1 87 87 VAL H H 87 9.017 9.017 8.890 0.127 19538 2783 1 5 . 1 1 88 88 HIS N N 88 124.227 124.227 127.096 -2.869 19538 2784 1 5 . 1 1 88 88 HIS HA H 88 4.687 4.687 5.202 -0.515 19538 2785 1 5 . 1 1 88 88 HIS CA C 88 54.314 54.314 52.855 1.459 19538 2786 1 5 . 1 1 88 88 HIS CB C 88 33.245 33.245 32.477 0.767 19538 2787 1 5 . 1 1 88 88 HIS H H 88 8.104 8.104 8.741 -0.637 19538 2788 1 5 . 1 1 89 89 LEU N N 89 121.992 121.992 128.886 -6.894 19538 2789 1 5 . 1 1 89 89 LEU HA H 89 5.050 5.050 5.090 -0.040 19538 2790 1 5 . 1 1 89 89 LEU CA C 89 52.983 52.983 53.521 -0.538 19538 2791 1 5 . 1 1 89 89 LEU CB C 89 46.355 46.355 46.525 -0.170 19538 2792 1 5 . 1 1 89 89 LEU H H 89 8.600 8.600 9.707 -1.107 19538 2793 1 5 . 1 1 90 90 GLU N N 90 121.551 121.551 125.408 -3.857 19538 2794 1 5 . 1 1 90 90 GLU HA H 90 5.253 5.253 5.782 -0.529 19538 2795 1 5 . 1 1 90 90 GLU CA C 90 53.422 53.422 54.418 -0.996 19538 2796 1 5 . 1 1 90 90 GLU CB C 90 33.238 33.238 33.276 -0.038 19538 2797 1 5 . 1 1 90 90 GLU H H 90 8.816 8.816 9.550 -0.734 19538 2798 1 5 . 1 1 91 91 ALA N N 91 128.266 128.266 127.352 0.914 19538 2799 1 5 . 1 1 91 91 ALA HA H 91 5.385 5.385 5.377 0.008 19538 2800 1 5 . 1 1 91 91 ALA CA C 91 49.164 49.164 49.892 -0.728 19538 2801 1 5 . 1 1 91 91 ALA CB C 91 23.227 23.227 23.119 0.108 19538 2802 1 5 . 1 1 91 91 ALA H H 91 9.287 9.287 8.936 0.351 19538 2803 1 5 . 1 1 92 92 LYS N N 92 121.573 121.573 119.386 2.187 19538 2804 1 5 . 1 1 92 92 LYS HA H 92 4.884 4.884 5.211 -0.327 19538 2805 1 5 . 1 1 92 92 LYS CA C 92 54.365 54.365 53.767 0.598 19538 2806 1 5 . 1 1 92 92 LYS CB C 92 36.427 36.427 35.194 1.233 19538 2807 1 5 . 1 1 92 92 LYS H H 92 9.160 9.160 8.953 0.207 19538 2808 1 5 . 1 1 93 93 GLU N N 93 127.022 127.022 126.966 0.056 19538 2809 1 5 . 1 1 93 93 GLU HA H 93 4.145 4.145 4.163 -0.018 19538 2810 1 5 . 1 1 93 93 GLU CA C 93 56.227 56.227 56.460 -0.233 19538 2811 1 5 . 1 1 93 93 GLU CB C 93 30.986 30.986 29.800 1.186 19538 2812 1 5 . 1 1 93 93 GLU H H 93 8.525 8.525 9.170 -0.645 19538 2813 1 5 . 1 1 94 94 SER N N 94 120.676 120.676 120.834 -0.158 19538 2814 1 5 . 1 1 94 94 SER HA H 94 4.416 4.416 4.089 0.327 19538 2815 1 5 . 1 1 94 94 SER CA C 94 57.241 57.241 62.183 -4.942 19538 2816 1 5 . 1 1 94 94 SER CB C 94 63.634 63.634 63.556 0.077 19538 2817 1 5 . 1 1 94 94 SER H H 94 8.877 8.877 8.373 0.504 19538 2818 1 5 . 1 1 95 95 LYS HA H 95 4.212 4.212 4.454 -0.242 19538 2819 1 5 . 1 1 95 95 LYS CA C 95 56.036 56.036 57.664 -1.628 19538 2820 1 5 . 1 1 95 95 LYS CB C 95 33.113 33.113 32.771 0.342 19538 2821 1 5 . 1 1 96 96 GLN N N 96 118.641 118.641 116.880 1.761 19538 2822 1 5 . 1 1 96 96 GLN HA H 96 4.140 4.140 4.285 -0.145 19538 2823 1 5 . 1 1 96 96 GLN CA C 96 56.338 56.338 55.263 1.075 19538 2824 1 5 . 1 1 96 96 GLN CB C 96 28.958 28.958 29.264 -0.306 19538 2825 1 5 . 1 1 96 96 GLN H H 96 8.335 8.335 7.922 0.413 19538 2826 1 5 . 1 1 97 97 ASN N N 97 116.545 116.545 118.503 -1.958 19538 2827 1 5 . 1 1 97 97 ASN HA H 97 4.511 4.511 4.431 0.080 19538 2828 1 5 . 1 1 97 97 ASN CA C 97 53.163 53.163 52.806 0.357 19538 2829 1 5 . 1 1 97 97 ASN CB C 97 38.370 38.370 39.118 -0.748 19538 2830 1 5 . 1 1 97 97 ASN H H 97 8.199 8.199 7.836 0.363 19538 2831 1 5 . 1 1 98 98 TYR N N 98 119.134 119.134 120.879 -1.745 19538 2832 1 5 . 1 1 98 98 TYR HA H 98 4.482 4.482 4.219 0.263 19538 2833 1 5 . 1 1 98 98 TYR CA C 98 57.458 57.458 59.966 -2.508 19538 2834 1 5 . 1 1 98 98 TYR CB C 98 38.539 38.539 38.606 -0.067 19538 2835 1 5 . 1 1 98 98 TYR H H 98 7.918 7.918 8.387 -0.469 19538 2836 1 5 . 1 1 99 99 GLN N N 99 119.975 119.975 117.756 2.219 19538 2837 1 5 . 1 1 99 99 GLN HA H 99 4.440 4.440 4.622 -0.182 19538 2838 1 5 . 1 1 99 99 GLN CA C 99 53.092 53.092 52.442 0.650 19538 2839 1 5 . 1 1 99 99 GLN CB C 99 27.891 27.891 28.305 -0.414 19538 2840 1 5 . 1 1 99 99 GLN H H 99 7.992 7.992 7.753 0.238 19538 2841 1 5 . 1 1 100 100 PRO HA H 100 4.294 4.294 4.151 0.143 19538 2842 1 5 . 1 1 100 100 PRO CA C 100 62.415 62.415 61.983 0.432 19538 2843 1 5 . 1 1 100 100 PRO CB C 100 32.538 32.538 31.904 0.634 19538 2844 1 5 . 1 1 101 101 ASP N N 101 120.964 120.964 121.891 -0.927 19538 2845 1 5 . 1 1 101 101 ASP HA H 101 4.654 4.654 4.474 0.180 19538 2846 1 5 . 1 1 101 101 ASP CA C 101 52.845 52.845 54.073 -1.228 19538 2847 1 5 . 1 1 101 101 ASP CB C 101 42.316 42.316 41.344 0.972 19538 2848 1 5 . 1 1 101 101 ASP H H 101 8.225 8.225 8.729 -0.504 19538 2849 1 5 . 1 1 102 102 PHE N N 102 122.913 122.913 121.082 1.831 19538 2850 1 5 . 1 1 102 102 PHE HA H 102 4.642 4.642 4.548 0.094 19538 2851 1 5 . 1 1 102 102 PHE CA C 102 57.341 57.341 59.398 -2.057 19538 2852 1 5 . 1 1 102 102 PHE CB C 102 38.576 38.576 38.816 -0.241 19538 2853 1 5 . 1 1 102 102 PHE H H 102 9.014 9.014 8.553 0.461 19538 2854 1 5 . 1 1 103 103 ILE N N 103 117.131 117.131 122.633 -5.502 19538 2855 1 5 . 1 1 103 103 ILE HA H 103 4.464 4.464 4.127 0.337 19538 2856 1 5 . 1 1 103 103 ILE CA C 103 60.346 60.346 62.932 -2.586 19538 2857 1 5 . 1 1 103 103 ILE CB C 103 39.243 39.243 39.191 0.052 19538 2858 1 5 . 1 1 103 103 ILE H H 103 8.765 8.765 9.081 -0.316 19538 2859 1 5 . 1 1 104 104 ASN N N 104 117.264 117.264 117.547 -0.283 19538 2860 1 5 . 1 1 104 104 ASN HA H 104 4.913 4.913 5.327 -0.414 19538 2861 1 5 . 1 1 104 104 ASN CA C 104 52.710 52.710 52.332 0.378 19538 2862 1 5 . 1 1 104 104 ASN CB C 104 41.361 41.361 42.626 -1.264 19538 2863 1 5 . 1 1 104 104 ASN H H 104 7.441 7.441 7.999 -0.558 19538 2864 1 5 . 1 1 105 105 MET N N 105 125.685 125.685 121.428 4.257 19538 2865 1 5 . 1 1 105 105 MET HA H 105 5.484 5.484 5.409 0.075 19538 2866 1 5 . 1 1 105 105 MET CA C 105 56.071 56.071 55.155 0.916 19538 2867 1 5 . 1 1 105 105 MET CB C 105 34.514 34.514 35.149 -0.635 19538 2868 1 5 . 1 1 105 105 MET H H 105 9.244 9.244 9.212 0.032 19538 2869 1 5 . 1 1 106 106 TYR N N 106 125.856 125.856 120.850 5.006 19538 2870 1 5 . 1 1 106 106 TYR HA H 106 5.438 5.438 5.391 0.047 19538 2871 1 5 . 1 1 106 106 TYR CA C 106 54.552 54.552 55.301 -0.750 19538 2872 1 5 . 1 1 106 106 TYR CB C 106 40.104 40.104 40.712 -0.608 19538 2873 1 5 . 1 1 106 106 TYR H H 106 8.893 8.893 8.828 0.065 19538 2874 1 5 . 1 1 107 107 VAL N N 107 117.033 117.033 119.682 -2.649 19538 2875 1 5 . 1 1 107 107 VAL HA H 107 4.957 4.957 4.502 0.455 19538 2876 1 5 . 1 1 107 107 VAL CA C 107 60.008 60.008 60.932 -0.924 19538 2877 1 5 . 1 1 107 107 VAL CB C 107 35.319 35.319 34.935 0.384 19538 2878 1 5 . 1 1 107 107 VAL H H 107 9.041 9.041 9.291 -0.250 19538 2879 1 5 . 1 1 108 108 ASP N N 108 129.995 129.995 128.432 1.563 19538 2880 1 5 . 1 1 108 108 ASP HA H 108 5.240 5.240 4.967 0.273 19538 2881 1 5 . 1 1 108 108 ASP CA C 108 52.975 52.975 52.076 0.899 19538 2882 1 5 . 1 1 108 108 ASP CB C 108 42.245 42.245 42.337 -0.092 19538 2883 1 5 . 1 1 108 108 ASP H H 108 9.382 9.382 9.347 0.035 19538 2884 1 5 . 1 1 109 109 VAL N N 109 129.641 129.641 127.335 2.306 19538 2885 1 5 . 1 1 109 109 VAL HA H 109 4.464 4.464 4.364 0.100 19538 2886 1 5 . 1 1 109 109 VAL CA C 109 58.694 58.694 59.173 -0.479 19538 2887 1 5 . 1 1 109 109 VAL CB C 109 33.061 33.061 33.150 -0.089 19538 2888 1 5 . 1 1 109 109 VAL H H 109 9.181 9.181 8.136 1.045 19538 2889 1 5 . 1 1 110 110 PRO HA H 110 4.288 4.288 4.439 -0.151 19538 2890 1 5 . 1 1 110 110 PRO CA C 110 64.107 64.107 63.317 0.790 19538 2891 1 5 . 1 1 110 110 PRO CB C 110 31.557 31.557 32.396 -0.839 19538 2892 1 5 . 1 1 111 111 GLY N N 111 112.873 112.873 113.314 -0.441 19538 2893 1 5 . 1 1 111 111 GLY CA C 111 44.872 44.872 45.834 -0.961 19538 2894 1 5 . 1 1 111 111 GLY H H 111 8.839 8.839 8.716 0.123 19538 2895 1 5 . 1 1 112 112 GLU N N 112 118.157 118.157 121.463 -3.306 19538 2896 1 5 . 1 1 112 112 GLU HA H 112 4.858 4.858 4.523 0.335 19538 2897 1 5 . 1 1 112 112 GLU CA C 112 52.732 52.732 55.263 -2.531 19538 2898 1 5 . 1 1 112 112 GLU CB C 112 31.513 31.513 30.642 0.871 19538 2899 1 5 . 1 1 112 112 GLU H H 112 8.136 8.136 8.251 -0.115 19538 2900 1 5 . 1 1 113 113 LYS N N 113 121.944 121.944 121.399 0.545 19538 2901 1 5 . 1 1 113 113 LYS HA H 113 4.208 4.208 4.340 -0.132 19538 2902 1 5 . 1 1 113 113 LYS CA C 113 55.810 55.810 55.703 0.107 19538 2903 1 5 . 1 1 113 113 LYS CB C 113 32.157 32.157 32.565 -0.408 19538 2904 1 5 . 1 1 113 113 LYS H H 113 8.847 8.847 8.469 0.378 19538 2905 1 5 . 1 1 114 114 ARG N N 114 126.520 126.520 120.193 6.327 19538 2906 1 5 . 1 1 114 114 ARG HA H 114 4.064 4.064 4.562 -0.498 19538 2907 1 5 . 1 1 114 114 ARG CA C 114 57.914 57.914 56.419 1.495 19538 2908 1 5 . 1 1 114 114 ARG CB C 114 30.627 30.627 30.782 -0.155 19538 2909 1 5 . 1 1 114 114 ARG H H 114 8.539 8.539 8.310 0.229 19538 2910 1 5 . 1 1 115 115 TYR N N 115 128.478 128.478 126.664 1.814 19538 2911 1 5 . 1 1 115 115 TYR HA H 115 4.671 4.671 4.809 -0.138 19538 2912 1 5 . 1 1 115 115 TYR CA C 115 56.519 56.519 56.415 0.104 19538 2913 1 5 . 1 1 115 115 TYR CB C 115 40.193 40.193 41.597 -1.404 19538 2914 1 5 . 1 1 115 115 TYR H H 115 8.333 8.333 9.120 -0.787 19538 2915 1 5 . 1 1 116 116 TYR N N 116 127.101 127.101 128.544 -1.443 19538 2916 1 5 . 1 1 116 116 TYR HA H 116 4.553 4.553 4.530 0.023 19538 2917 1 5 . 1 1 116 116 TYR CA C 116 58.502 58.502 58.403 0.099 19538 2918 1 5 . 1 1 116 116 TYR CB C 116 38.842 38.842 37.756 1.086 19538 2919 1 5 . 1 1 116 116 TYR H H 116 8.740 8.740 8.523 0.217 19538 2920 1 5 . 1 1 117 117 LEU N N 117 125.574 125.574 124.940 0.634 19538 2921 1 5 . 1 1 117 117 LEU HA H 117 4.394 4.394 4.148 0.246 19538 2922 1 5 . 1 1 117 117 LEU CA C 117 57.384 57.384 56.566 0.818 19538 2923 1 5 . 1 1 117 117 LEU CB C 117 43.272 43.272 43.038 0.234 19538 2924 1 5 . 1 1 117 117 LEU H H 117 8.427 8.427 8.227 0.200 19538 2925 1 5 . 1 1 118 118 ILE N N 118 118.478 118.478 118.805 -0.327 19538 2926 1 5 . 1 1 118 118 ILE HA H 118 4.199 4.199 4.281 -0.082 19538 2927 1 5 . 1 1 118 118 ILE CA C 118 60.074 60.074 60.260 -0.186 19538 2928 1 5 . 1 1 118 118 ILE CB C 118 40.895 40.895 40.296 0.599 19538 2929 1 5 . 1 1 118 118 ILE H H 118 7.983 7.983 8.438 -0.455 19538 2930 1 5 . 1 1 119 119 LYS N N 119 127.589 127.589 128.130 -0.541 19538 2931 1 5 . 1 1 119 119 LYS HA H 119 4.778 4.778 4.853 -0.075 19538 2932 1 5 . 1 1 119 119 LYS CA C 119 53.232 53.232 52.605 0.627 19538 2933 1 5 . 1 1 119 119 LYS CB C 119 32.581 32.581 31.200 1.381 19538 2934 1 5 . 1 1 119 119 LYS H H 119 8.550 8.550 8.555 -0.005 19538 2935 1 5 . 1 1 120 120 PRO HA H 120 4.534 4.534 4.563 -0.029 19538 2936 1 5 . 1 1 120 120 PRO CA C 120 62.395 62.395 61.993 0.402 19538 2937 1 5 . 1 1 120 120 PRO CB C 120 32.059 32.059 32.504 -0.445 19538 2938 1 5 . 1 1 121 121 LYS N N 121 122.191 122.191 119.700 2.491 19538 2939 1 5 . 1 1 121 121 LYS HA H 121 4.136 4.136 4.148 -0.012 19538 2940 1 5 . 1 1 121 121 LYS CA C 121 55.840 55.840 56.004 -0.164 19538 2941 1 5 . 1 1 121 121 LYS CB C 121 33.162 33.162 29.487 3.675 19538 2942 1 5 . 1 1 121 121 LYS H H 121 8.406 8.406 8.568 -0.162 19538 2943 1 5 . 1 1 122 122 LEU N N 122 122.972 122.972 119.832 3.140 19538 2944 1 5 . 1 1 122 122 LEU HA H 122 4.219 4.219 4.101 0.118 19538 2945 1 5 . 1 1 122 122 LEU CA C 122 54.494 54.494 56.801 -2.307 19538 2946 1 5 . 1 1 122 122 LEU CB C 122 41.990 41.990 42.273 -0.283 19538 2947 1 5 . 1 1 122 122 LEU H H 122 8.158 8.158 8.799 -0.641 19538 2948 1 5 . 1 1 123 123 HIS N N 123 121.608 121.608 114.391 7.217 19538 2949 1 5 . 1 1 123 123 HIS HA H 123 4.776 4.776 4.826 -0.050 19538 2950 1 5 . 1 1 123 123 HIS CA C 123 53.651 53.651 53.588 0.063 19538 2951 1 5 . 1 1 123 123 HIS CB C 123 30.145 30.145 31.582 -1.437 19538 2952 1 5 . 1 1 123 123 HIS H H 123 8.172 8.172 7.972 0.200 19538 2953 1 5 . 1 1 124 124 PRO HA H 124 4.085 4.085 4.432 -0.347 19538 2954 1 5 . 1 1 124 124 PRO CA C 124 62.119 62.119 62.776 -0.657 19538 2955 1 5 . 1 1 124 124 PRO CB C 124 33.900 33.900 32.263 1.637 19538 2956 1 5 . 1 1 125 125 VAL N N 125 120.758 120.758 121.095 -0.337 19538 2957 1 5 . 1 1 125 125 VAL HA H 125 4.085 4.085 3.881 0.204 19538 2958 1 5 . 1 1 125 125 VAL CA C 125 61.791 61.791 63.692 -1.901 19538 2959 1 5 . 1 1 125 125 VAL CB C 125 32.635 32.635 32.081 0.554 19538 2960 1 5 . 1 1 125 125 VAL H H 125 8.361 8.361 8.051 0.310 19538 2961 1 5 . 1 1 126 126 SER N N 126 119.450 119.450 114.261 5.189 19538 2962 1 5 . 1 1 126 126 SER HA H 126 4.417 4.417 4.175 0.242 19538 2963 1 5 . 1 1 126 126 SER CA C 126 57.522 57.522 58.945 -1.423 19538 2964 1 5 . 1 1 126 126 SER CB C 126 63.634 63.634 62.107 1.527 19538 2965 1 5 . 1 1 126 126 SER H H 126 8.323 8.323 8.639 -0.316 19538 2966 1 6 . 1 1 2 2 ALA N N 2 122.815 122.815 123.458 -0.643 19538 2967 1 6 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.092 0.201 19538 2968 1 6 . 1 1 2 2 ALA CA C 2 52.085 52.085 54.477 -2.392 19538 2969 1 6 . 1 1 2 2 ALA CB C 2 19.067 19.067 18.949 0.118 19538 2970 1 6 . 1 1 2 2 ALA H H 2 8.102 8.102 8.500 -0.398 19538 2971 1 6 . 1 1 3 3 MET N N 3 119.897 119.897 117.752 2.145 19538 2972 1 6 . 1 1 3 3 MET HA H 3 4.401 4.401 4.104 0.297 19538 2973 1 6 . 1 1 3 3 MET CA C 3 55.339 55.339 58.249 -2.910 19538 2974 1 6 . 1 1 3 3 MET CB C 3 32.938 32.938 31.980 0.958 19538 2975 1 6 . 1 1 3 3 MET H H 3 8.501 8.501 8.349 0.152 19538 2976 1 6 . 1 1 4 4 GLY N N 4 110.174 110.174 105.160 5.014 19538 2977 1 6 . 1 1 4 4 GLY CA C 4 44.706 44.706 45.507 -0.801 19538 2978 1 6 . 1 1 4 4 GLY H H 4 8.498 8.498 7.921 0.577 19538 2979 1 6 . 1 1 5 5 SER HA H 5 4.368 4.368 4.027 0.341 19538 2980 1 6 . 1 1 5 5 SER CA C 5 58.467 58.467 60.302 -1.835 19538 2981 1 6 . 1 1 5 5 SER CB C 5 63.530 63.530 60.790 2.740 19538 2982 1 6 . 1 1 6 6 GLY CA C 6 45.983 45.983 47.714 -1.731 19538 2983 1 6 . 1 1 7 7 ASP N N 7 122.649 122.649 120.848 1.801 19538 2984 1 6 . 1 1 7 7 ASP HA H 7 4.375 4.375 4.541 -0.166 19538 2985 1 6 . 1 1 7 7 ASP CA C 7 56.523 56.523 57.011 -0.488 19538 2986 1 6 . 1 1 7 7 ASP CB C 7 40.235 40.235 39.606 0.629 19538 2987 1 6 . 1 1 7 7 ASP H H 7 8.457 8.457 8.220 0.237 19538 2988 1 6 . 1 1 8 8 THR N N 8 116.751 116.751 116.521 0.230 19538 2989 1 6 . 1 1 8 8 THR HA H 8 3.853 3.853 4.017 -0.164 19538 2990 1 6 . 1 1 8 8 THR CA C 8 66.104 66.104 66.770 -0.666 19538 2991 1 6 . 1 1 8 8 THR CB C 8 68.047 68.047 68.198 -0.151 19538 2992 1 6 . 1 1 8 8 THR H H 8 8.128 8.128 8.186 -0.058 19538 2993 1 6 . 1 1 9 9 GLN N N 9 120.186 120.186 121.073 -0.887 19538 2994 1 6 . 1 1 9 9 GLN HA H 9 4.038 4.038 4.204 -0.166 19538 2995 1 6 . 1 1 9 9 GLN CA C 9 58.699 58.699 58.972 -0.273 19538 2996 1 6 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.625 -0.525 19538 2997 1 6 . 1 1 9 9 GLN H H 9 7.831 7.831 8.812 -0.981 19538 2998 1 6 . 1 1 10 10 LEU N N 10 120.735 120.735 120.709 0.026 19538 2999 1 6 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.180 -0.263 19538 3000 1 6 . 1 1 10 10 LEU CA C 10 58.126 58.126 58.351 -0.225 19538 3001 1 6 . 1 1 10 10 LEU CB C 10 41.935 41.935 41.780 0.155 19538 3002 1 6 . 1 1 10 10 LEU H H 10 7.670 7.670 9.066 -1.396 19538 3003 1 6 . 1 1 11 11 PHE N N 11 117.802 117.802 121.002 -3.200 19538 3004 1 6 . 1 1 11 11 PHE HA H 11 3.821 3.821 3.882 -0.061 19538 3005 1 6 . 1 1 11 11 PHE CA C 11 60.224 60.224 62.137 -1.913 19538 3006 1 6 . 1 1 11 11 PHE CB C 11 38.798 38.798 38.896 -0.098 19538 3007 1 6 . 1 1 11 11 PHE H H 11 7.939 7.939 9.381 -1.442 19538 3008 1 6 . 1 1 12 12 ASN N N 12 117.152 117.152 118.042 -0.890 19538 3009 1 6 . 1 1 12 12 ASN HA H 12 3.868 3.868 4.177 -0.309 19538 3010 1 6 . 1 1 12 12 ASN CA C 12 55.410 55.410 56.517 -1.107 19538 3011 1 6 . 1 1 12 12 ASN CB C 12 37.188 37.188 37.865 -0.677 19538 3012 1 6 . 1 1 12 12 ASN H H 12 8.562 8.562 8.389 0.173 19538 3013 1 6 . 1 1 13 13 ARG N N 13 119.825 119.825 121.181 -1.356 19538 3014 1 6 . 1 1 13 13 ARG HA H 13 3.914 3.914 4.098 -0.184 19538 3015 1 6 . 1 1 13 13 ARG CA C 13 58.623 58.623 59.648 -1.025 19538 3016 1 6 . 1 1 13 13 ARG CB C 13 31.719 31.719 30.399 1.320 19538 3017 1 6 . 1 1 13 13 ARG H H 13 8.006 8.006 8.514 -0.508 19538 3018 1 6 . 1 1 14 14 ALA N N 14 122.749 122.749 122.509 0.240 19538 3019 1 6 . 1 1 14 14 ALA HA H 14 3.938 3.938 3.998 -0.060 19538 3020 1 6 . 1 1 14 14 ALA CA C 14 54.976 54.976 55.035 -0.059 19538 3021 1 6 . 1 1 14 14 ALA CB C 14 19.446 19.446 18.697 0.749 19538 3022 1 6 . 1 1 14 14 ALA H H 14 8.163 8.163 8.661 -0.498 19538 3023 1 6 . 1 1 15 15 VAL N N 15 118.460 118.460 118.934 -0.474 19538 3024 1 6 . 1 1 15 15 VAL HA H 15 3.219 3.219 3.577 -0.358 19538 3025 1 6 . 1 1 15 15 VAL CA C 15 66.611 66.611 66.100 0.511 19538 3026 1 6 . 1 1 15 15 VAL CB C 15 30.889 30.889 31.247 -0.358 19538 3027 1 6 . 1 1 15 15 VAL H H 15 8.718 8.718 8.438 0.280 19538 3028 1 6 . 1 1 16 16 SER N N 16 113.102 113.102 116.256 -3.154 19538 3029 1 6 . 1 1 16 16 SER HA H 16 4.144 4.144 4.067 0.077 19538 3030 1 6 . 1 1 16 16 SER CA C 16 60.888 60.888 61.966 -1.078 19538 3031 1 6 . 1 1 16 16 SER CB C 16 62.503 62.503 62.627 -0.124 19538 3032 1 6 . 1 1 16 16 SER H H 16 7.243 7.243 7.901 -0.658 19538 3033 1 6 . 1 1 17 17 MET N N 17 117.447 117.447 120.897 -3.450 19538 3034 1 6 . 1 1 17 17 MET HA H 17 3.875 3.875 4.149 -0.274 19538 3035 1 6 . 1 1 17 17 MET CA C 17 58.575 58.575 58.645 -0.070 19538 3036 1 6 . 1 1 17 17 MET CB C 17 33.489 33.489 32.764 0.725 19538 3037 1 6 . 1 1 17 17 MET H H 17 7.232 7.232 7.613 -0.381 19538 3038 1 6 . 1 1 18 18 VAL N N 18 117.842 117.842 115.848 1.994 19538 3039 1 6 . 1 1 18 18 VAL HA H 18 3.357 3.357 3.827 -0.470 19538 3040 1 6 . 1 1 18 18 VAL CA C 18 66.065 66.065 65.806 0.259 19538 3041 1 6 . 1 1 18 18 VAL CB C 18 31.686 31.686 30.673 1.013 19538 3042 1 6 . 1 1 18 18 VAL H H 18 7.678 7.678 8.275 -0.597 19538 3043 1 6 . 1 1 19 19 GLU N N 19 113.150 113.150 119.789 -6.639 19538 3044 1 6 . 1 1 19 19 GLU HA H 19 3.618 3.618 4.001 -0.383 19538 3045 1 6 . 1 1 19 19 GLU CA C 19 58.198 58.198 59.245 -1.047 19538 3046 1 6 . 1 1 19 19 GLU CB C 19 29.786 29.786 29.665 0.121 19538 3047 1 6 . 1 1 19 19 GLU H H 19 8.378 8.378 8.413 -0.035 19538 3048 1 6 . 1 1 20 20 LYS N N 20 114.076 114.076 113.168 0.908 19538 3049 1 6 . 1 1 20 20 LYS HA H 20 4.243 4.243 4.392 -0.149 19538 3050 1 6 . 1 1 20 20 LYS CA C 20 55.725 55.725 54.658 1.067 19538 3051 1 6 . 1 1 20 20 LYS CB C 20 33.032 33.032 32.621 0.411 19538 3052 1 6 . 1 1 20 20 LYS H H 20 7.072 7.072 7.526 -0.454 19538 3053 1 6 . 1 1 21 21 ASN N N 21 121.025 121.025 121.003 0.022 19538 3054 1 6 . 1 1 21 21 ASN HA H 21 4.555 4.555 4.503 0.052 19538 3055 1 6 . 1 1 21 21 ASN CA C 21 53.766 53.766 53.144 0.622 19538 3056 1 6 . 1 1 21 21 ASN CB C 21 39.835 39.835 38.938 0.897 19538 3057 1 6 . 1 1 21 21 ASN H H 21 7.230 7.230 7.406 -0.176 19538 3058 1 6 . 1 1 22 22 LYS N N 22 128.112 128.112 127.468 0.644 19538 3059 1 6 . 1 1 22 22 LYS HA H 22 3.698 3.698 3.857 -0.159 19538 3060 1 6 . 1 1 22 22 LYS CA C 22 59.519 59.519 59.901 -0.382 19538 3061 1 6 . 1 1 22 22 LYS CB C 22 32.140 32.140 31.482 0.658 19538 3062 1 6 . 1 1 22 22 LYS H H 22 8.846 8.846 8.751 0.095 19538 3063 1 6 . 1 1 23 23 ASP N N 23 120.250 120.250 120.724 -0.474 19538 3064 1 6 . 1 1 23 23 ASP HA H 23 4.297 4.297 4.361 -0.064 19538 3065 1 6 . 1 1 23 23 ASP CA C 23 56.787 56.787 57.281 -0.493 19538 3066 1 6 . 1 1 23 23 ASP CB C 23 39.444 39.444 40.493 -1.049 19538 3067 1 6 . 1 1 23 23 ASP H H 23 7.731 7.731 7.929 -0.198 19538 3068 1 6 . 1 1 24 24 ILE N N 24 121.988 121.988 121.015 0.973 19538 3069 1 6 . 1 1 24 24 ILE HA H 24 3.219 3.219 3.385 -0.166 19538 3070 1 6 . 1 1 24 24 ILE CA C 24 63.375 63.375 65.445 -2.070 19538 3071 1 6 . 1 1 24 24 ILE CB C 24 35.424 35.424 37.633 -2.209 19538 3072 1 6 . 1 1 24 24 ILE H H 24 8.431 8.431 8.144 0.287 19538 3073 1 6 . 1 1 25 25 ARG N N 25 118.181 118.181 120.178 -1.997 19538 3074 1 6 . 1 1 25 25 ARG HA H 25 3.810 3.810 3.862 -0.052 19538 3075 1 6 . 1 1 25 25 ARG CA C 25 60.546 60.546 60.571 -0.024 19538 3076 1 6 . 1 1 25 25 ARG CB C 25 30.205 30.205 29.907 0.298 19538 3077 1 6 . 1 1 25 25 ARG H H 25 8.206 8.206 8.860 -0.654 19538 3078 1 6 . 1 1 26 26 SER N N 26 112.549 112.549 116.933 -4.384 19538 3079 1 6 . 1 1 26 26 SER HA H 26 4.373 4.373 4.192 0.181 19538 3080 1 6 . 1 1 26 26 SER CA C 26 61.040 61.040 62.248 -1.208 19538 3081 1 6 . 1 1 26 26 SER CB C 26 62.096 62.096 62.734 -0.638 19538 3082 1 6 . 1 1 26 26 SER H H 26 7.518 7.518 8.354 -0.836 19538 3083 1 6 . 1 1 27 27 LEU N N 27 125.275 125.275 122.338 2.937 19538 3084 1 6 . 1 1 27 27 LEU HA H 27 4.013 4.013 4.027 -0.014 19538 3085 1 6 . 1 1 27 27 LEU CA C 27 57.652 57.652 57.874 -0.223 19538 3086 1 6 . 1 1 27 27 LEU CB C 27 42.548 42.548 42.113 0.435 19538 3087 1 6 . 1 1 27 27 LEU H H 27 8.050 8.050 8.431 -0.381 19538 3088 1 6 . 1 1 28 28 LEU N N 28 114.725 114.725 114.582 0.143 19538 3089 1 6 . 1 1 28 28 LEU HA H 28 3.863 3.863 4.241 -0.378 19538 3090 1 6 . 1 1 28 28 LEU CA C 28 54.299 54.299 54.620 -0.321 19538 3091 1 6 . 1 1 28 28 LEU CB C 28 42.874 42.874 41.719 1.155 19538 3092 1 6 . 1 1 28 28 LEU H H 28 8.010 8.010 8.698 -0.688 19538 3093 1 6 . 1 1 29 29 GLN N N 29 116.444 116.444 114.553 1.891 19538 3094 1 6 . 1 1 29 29 GLN HA H 29 3.854 3.854 3.949 -0.095 19538 3095 1 6 . 1 1 29 29 GLN CA C 29 55.652 55.652 56.542 -0.890 19538 3096 1 6 . 1 1 29 29 GLN CB C 29 25.300 25.300 25.503 -0.203 19538 3097 1 6 . 1 1 29 29 GLN H H 29 7.972 7.972 7.806 0.166 19538 3098 1 6 . 1 1 30 30 CYS N N 30 116.363 116.363 119.978 -3.615 19538 3099 1 6 . 1 1 30 30 CYS HA H 30 4.133 4.133 4.059 0.074 19538 3100 1 6 . 1 1 30 30 CYS CA C 30 61.559 61.559 60.308 1.251 19538 3101 1 6 . 1 1 30 30 CYS CB C 30 27.701 27.701 25.535 2.166 19538 3102 1 6 . 1 1 30 30 CYS H H 30 7.847 7.847 8.824 -0.977 19538 3103 1 6 . 1 1 31 31 ASP N N 31 125.091 125.091 124.675 0.416 19538 3104 1 6 . 1 1 31 31 ASP HA H 31 4.598 4.598 4.379 0.219 19538 3105 1 6 . 1 1 31 31 ASP CA C 31 52.428 52.428 56.622 -4.194 19538 3106 1 6 . 1 1 31 31 ASP CB C 31 39.156 39.156 41.564 -2.408 19538 3107 1 6 . 1 1 31 31 ASP H H 31 9.918 9.918 8.790 1.128 19538 3108 1 6 . 1 1 32 32 ASP N N 32 124.593 124.593 117.407 7.186 19538 3109 1 6 . 1 1 32 32 ASP HA H 32 5.131 5.131 4.462 0.669 19538 3110 1 6 . 1 1 32 32 ASP CA C 32 52.190 52.190 55.553 -3.363 19538 3111 1 6 . 1 1 32 32 ASP CB C 32 41.542 41.542 39.191 2.351 19538 3112 1 6 . 1 1 32 32 ASP H H 32 7.532 7.532 8.453 -0.921 19538 3113 1 6 . 1 1 33 33 GLY N N 33 109.888 109.888 106.198 3.690 19538 3114 1 6 . 1 1 33 33 GLY CA C 33 44.840 44.840 45.747 -0.907 19538 3115 1 6 . 1 1 33 33 GLY H H 33 7.912 7.912 8.509 -0.597 19538 3116 1 6 . 1 1 34 34 ILE HA H 34 3.978 3.978 3.948 0.030 19538 3117 1 6 . 1 1 34 34 ILE CA C 34 63.210 63.210 63.915 -0.705 19538 3118 1 6 . 1 1 34 34 ILE CB C 34 38.027 38.027 38.788 -0.762 19538 3119 1 6 . 1 1 35 35 THR N N 35 109.823 109.823 110.239 -0.416 19538 3120 1 6 . 1 1 35 35 THR HA H 35 4.291 4.291 4.430 -0.139 19538 3121 1 6 . 1 1 35 35 THR CA C 35 61.511 61.511 61.698 -0.187 19538 3122 1 6 . 1 1 35 35 THR CB C 35 68.374 68.374 70.126 -1.752 19538 3123 1 6 . 1 1 35 35 THR H H 35 7.995 7.995 8.664 -0.669 19538 3124 1 6 . 1 1 36 36 GLY N N 36 109.916 109.916 109.508 0.408 19538 3125 1 6 . 1 1 36 36 GLY CA C 36 44.282 44.282 44.661 -0.379 19538 3126 1 6 . 1 1 36 36 GLY H H 36 7.564 7.564 7.317 0.247 19538 3127 1 6 . 1 1 37 37 LYS N N 37 119.833 119.833 121.857 -2.024 19538 3128 1 6 . 1 1 37 37 LYS HA H 37 4.442 4.442 4.670 -0.228 19538 3129 1 6 . 1 1 37 37 LYS CA C 37 54.520 54.520 55.885 -1.365 19538 3130 1 6 . 1 1 37 37 LYS CB C 37 33.208 33.208 32.725 0.483 19538 3131 1 6 . 1 1 37 37 LYS H H 37 8.236 8.236 8.365 -0.129 19538 3132 1 6 . 1 1 38 38 GLU N N 38 125.697 125.697 125.376 0.321 19538 3133 1 6 . 1 1 38 38 GLU HA H 38 3.907 3.907 4.428 -0.521 19538 3134 1 6 . 1 1 38 38 GLU CA C 38 56.731 56.731 55.738 0.993 19538 3135 1 6 . 1 1 38 38 GLU CB C 38 29.779 29.779 32.000 -2.221 19538 3136 1 6 . 1 1 38 38 GLU H H 38 8.175 8.175 8.473 -0.298 19538 3137 1 6 . 1 1 39 39 ARG N N 39 128.738 128.738 120.948 7.790 19538 3138 1 6 . 1 1 39 39 ARG HA H 39 4.260 4.260 4.519 -0.259 19538 3139 1 6 . 1 1 39 39 ARG CA C 39 55.343 55.343 55.182 0.161 19538 3140 1 6 . 1 1 39 39 ARG CB C 39 29.529 29.529 30.935 -1.406 19538 3141 1 6 . 1 1 39 39 ARG H H 39 8.920 8.920 8.545 0.375 19538 3142 1 6 . 1 1 40 40 LEU N N 40 127.659 127.659 124.724 2.935 19538 3143 1 6 . 1 1 40 40 LEU HA H 40 4.488 4.488 4.474 0.014 19538 3144 1 6 . 1 1 40 40 LEU CA C 40 53.848 53.848 55.212 -1.364 19538 3145 1 6 . 1 1 40 40 LEU CB C 40 42.333 42.333 42.591 -0.258 19538 3146 1 6 . 1 1 40 40 LEU H H 40 8.670 8.670 8.480 0.190 19538 3147 1 6 . 1 1 41 41 LYS N N 41 121.136 121.136 122.369 -1.233 19538 3148 1 6 . 1 1 41 41 LYS HA H 41 4.647 4.647 4.660 -0.013 19538 3149 1 6 . 1 1 41 41 LYS CA C 41 55.062 55.062 54.987 0.075 19538 3150 1 6 . 1 1 41 41 LYS CB C 41 35.064 35.064 36.319 -1.255 19538 3151 1 6 . 1 1 41 41 LYS H H 41 8.273 8.273 8.051 0.222 19538 3152 1 6 . 1 1 42 42 ALA N N 42 123.758 123.758 125.080 -1.322 19538 3153 1 6 . 1 1 42 42 ALA HA H 42 5.605 5.605 4.988 0.617 19538 3154 1 6 . 1 1 42 42 ALA CA C 42 50.529 50.529 50.971 -0.442 19538 3155 1 6 . 1 1 42 42 ALA CB C 42 22.577 22.577 22.171 0.406 19538 3156 1 6 . 1 1 42 42 ALA H H 42 8.488 8.488 8.300 0.188 19538 3157 1 6 . 1 1 43 43 TYR N N 43 116.716 116.716 119.428 -2.712 19538 3158 1 6 . 1 1 43 43 TYR HA H 43 4.758 4.758 4.845 -0.087 19538 3159 1 6 . 1 1 43 43 TYR CA C 43 55.975 55.975 56.622 -0.647 19538 3160 1 6 . 1 1 43 43 TYR CB C 43 38.409 38.409 39.752 -1.343 19538 3161 1 6 . 1 1 43 43 TYR H H 43 8.123 8.123 8.965 -0.842 19538 3162 1 6 . 1 1 44 44 GLY N N 44 106.591 106.591 108.173 -1.582 19538 3163 1 6 . 1 1 44 44 GLY CA C 44 45.172 45.172 46.873 -1.700 19538 3164 1 6 . 1 1 44 44 GLY H H 44 8.663 8.663 10.001 -1.338 19538 3165 1 6 . 1 1 45 45 GLU N N 45 118.850 118.850 118.326 0.524 19538 3166 1 6 . 1 1 45 45 GLU HA H 45 4.310 4.310 4.412 -0.102 19538 3167 1 6 . 1 1 45 45 GLU CA C 45 56.286 56.286 53.631 2.655 19538 3168 1 6 . 1 1 45 45 GLU CB C 45 31.304 31.304 33.018 -1.714 19538 3169 1 6 . 1 1 45 45 GLU H H 45 8.287 8.287 7.704 0.583 19538 3170 1 6 . 1 1 46 46 LEU N N 46 124.692 124.692 121.412 3.280 19538 3171 1 6 . 1 1 46 46 LEU HA H 46 4.361 4.361 4.239 0.122 19538 3172 1 6 . 1 1 46 46 LEU CA C 46 54.967 54.967 57.522 -2.554 19538 3173 1 6 . 1 1 46 46 LEU CB C 46 41.980 41.980 41.215 0.765 19538 3174 1 6 . 1 1 46 46 LEU H H 46 9.010 9.010 7.758 1.252 19538 3175 1 6 . 1 1 47 47 ILE N N 47 123.302 123.302 111.706 11.596 19538 3176 1 6 . 1 1 47 47 ILE HA H 47 4.272 4.272 3.998 0.274 19538 3177 1 6 . 1 1 47 47 ILE CA C 47 60.399 60.399 62.654 -2.255 19538 3178 1 6 . 1 1 47 47 ILE CB C 47 38.676 38.676 37.400 1.276 19538 3179 1 6 . 1 1 47 47 ILE H H 47 8.407 8.407 7.679 0.728 19538 3180 1 6 . 1 1 48 48 THR N N 48 117.749 117.749 115.754 1.995 19538 3181 1 6 . 1 1 48 48 THR HA H 48 4.330 4.330 3.979 0.351 19538 3182 1 6 . 1 1 48 48 THR CA C 48 61.234 61.234 65.296 -4.062 19538 3183 1 6 . 1 1 48 48 THR CB C 48 69.327 69.327 68.620 0.707 19538 3184 1 6 . 1 1 48 48 THR H H 48 8.183 8.183 7.591 0.592 19538 3185 1 6 . 1 1 49 49 ASN N N 49 120.102 120.102 118.678 1.424 19538 3186 1 6 . 1 1 49 49 ASN HA H 49 4.585 4.585 4.550 0.035 19538 3187 1 6 . 1 1 49 49 ASN CA C 49 53.193 53.193 53.647 -0.454 19538 3188 1 6 . 1 1 49 49 ASN CB C 49 38.261 38.261 38.300 -0.039 19538 3189 1 6 . 1 1 49 49 ASN H H 49 8.418 8.418 7.892 0.526 19538 3190 1 6 . 1 1 50 50 ASP N N 50 119.783 119.783 120.284 -0.501 19538 3191 1 6 . 1 1 50 50 ASP HA H 50 4.454 4.454 3.189 1.265 19538 3192 1 6 . 1 1 50 50 ASP CA C 50 53.950 53.950 56.081 -2.131 19538 3193 1 6 . 1 1 50 50 ASP CB C 50 41.231 41.231 40.561 0.670 19538 3194 1 6 . 1 1 50 50 ASP H H 50 8.096 8.096 7.864 0.232 19538 3195 1 6 . 1 1 51 51 LYS N N 51 120.547 120.547 118.043 2.504 19538 3196 1 6 . 1 1 51 51 LYS HA H 51 4.017 4.017 3.749 0.268 19538 3197 1 6 . 1 1 51 51 LYS CA C 51 56.633 56.633 57.239 -0.606 19538 3198 1 6 . 1 1 51 51 LYS CB C 51 32.052 32.052 32.522 -0.470 19538 3199 1 6 . 1 1 51 51 LYS H H 51 8.173 8.173 7.248 0.925 19538 3200 1 6 . 1 1 52 52 TRP N N 52 120.062 120.062 116.949 3.113 19538 3201 1 6 . 1 1 52 52 TRP HA H 52 4.617 4.617 4.770 -0.153 19538 3202 1 6 . 1 1 52 52 TRP CA C 52 57.045 57.045 57.790 -0.745 19538 3203 1 6 . 1 1 52 52 TRP CB C 52 29.251 29.251 30.374 -1.123 19538 3204 1 6 . 1 1 52 52 TRP H H 52 8.094 8.094 8.168 -0.074 19538 3205 1 6 . 1 1 53 53 THR N N 53 115.770 115.770 110.863 4.907 19538 3206 1 6 . 1 1 53 53 THR HA H 53 4.262 4.262 4.516 -0.254 19538 3207 1 6 . 1 1 53 53 THR CA C 53 61.625 61.625 61.519 0.106 19538 3208 1 6 . 1 1 53 53 THR CB C 53 69.153 69.153 69.083 0.070 19538 3209 1 6 . 1 1 53 53 THR H H 53 7.789 7.789 8.099 -0.310 19538 3210 1 6 . 1 1 54 54 ARG N N 54 122.136 122.136 121.683 0.453 19538 3211 1 6 . 1 1 54 54 ARG HA H 54 4.133 4.133 3.966 0.167 19538 3212 1 6 . 1 1 54 54 ARG CA C 54 56.038 56.038 58.791 -2.753 19538 3213 1 6 . 1 1 54 54 ARG CB C 54 30.441 30.441 29.720 0.722 19538 3214 1 6 . 1 1 54 54 ARG H H 54 8.191 8.191 8.230 -0.039 19538 3215 1 6 . 1 1 55 55 ASN N N 55 117.842 117.842 116.075 1.767 19538 3216 1 6 . 1 1 55 55 ASN HA H 55 4.713 4.713 4.783 -0.070 19538 3217 1 6 . 1 1 55 55 ASN CA C 55 52.873 52.873 53.483 -0.610 19538 3218 1 6 . 1 1 55 55 ASN CB C 55 38.769 38.769 39.218 -0.449 19538 3219 1 6 . 1 1 55 55 ASN H H 55 8.205 8.205 8.637 -0.432 19538 3220 1 6 . 1 1 56 56 ARG N N 56 121.615 121.615 120.479 1.136 19538 3221 1 6 . 1 1 56 56 ARG HA H 56 4.542 4.542 4.814 -0.272 19538 3222 1 6 . 1 1 56 56 ARG CA C 56 53.765 53.765 53.370 0.395 19538 3223 1 6 . 1 1 56 56 ARG CB C 56 30.009 30.009 30.200 -0.191 19538 3224 1 6 . 1 1 56 56 ARG H H 56 8.246 8.246 8.386 -0.140 19538 3225 1 6 . 1 1 57 57 PRO HA H 57 4.273 4.273 4.778 -0.505 19538 3226 1 6 . 1 1 57 57 PRO CA C 57 62.424 62.424 61.422 1.002 19538 3227 1 6 . 1 1 57 57 PRO CB C 57 31.987 31.987 32.896 -0.909 19538 3228 1 6 . 1 1 58 58 ILE N N 58 122.700 122.700 121.457 1.243 19538 3229 1 6 . 1 1 58 58 ILE HA H 58 4.089 4.089 3.940 0.149 19538 3230 1 6 . 1 1 58 58 ILE CA C 58 60.655 60.655 62.727 -2.072 19538 3231 1 6 . 1 1 58 58 ILE CB C 58 37.111 37.111 35.670 1.441 19538 3232 1 6 . 1 1 58 58 ILE H H 58 8.098 8.098 8.180 -0.082 19538 3233 1 6 . 1 1 59 59 VAL N N 59 124.097 124.097 120.714 3.383 19538 3234 1 6 . 1 1 59 59 VAL HA H 59 4.549 4.549 4.732 -0.183 19538 3235 1 6 . 1 1 59 59 VAL CA C 59 59.613 59.613 59.742 -0.129 19538 3236 1 6 . 1 1 59 59 VAL CB C 59 34.980 34.980 35.412 -0.432 19538 3237 1 6 . 1 1 59 59 VAL H H 59 8.167 8.167 8.026 0.141 19538 3238 1 6 . 1 1 60 60 SER N N 60 119.752 119.752 116.775 2.977 19538 3239 1 6 . 1 1 60 60 SER HA H 60 5.136 5.136 5.525 -0.389 19538 3240 1 6 . 1 1 60 60 SER CA C 60 56.467 56.467 56.061 0.406 19538 3241 1 6 . 1 1 60 60 SER CB C 60 64.890 64.890 64.451 0.439 19538 3242 1 6 . 1 1 60 60 SER H H 60 8.592 8.592 9.248 -0.656 19538 3243 1 6 . 1 1 61 61 THR N N 61 117.559 117.559 117.800 -0.241 19538 3244 1 6 . 1 1 61 61 THR HA H 61 4.576 4.576 4.214 0.362 19538 3245 1 6 . 1 1 61 61 THR CA C 61 61.348 61.348 62.431 -1.083 19538 3246 1 6 . 1 1 61 61 THR CB C 61 70.276 70.276 69.523 0.753 19538 3247 1 6 . 1 1 61 61 THR H H 61 9.214 9.214 8.856 0.358 19538 3248 1 6 . 1 1 62 62 LYS N N 62 123.743 123.743 125.887 -2.144 19538 3249 1 6 . 1 1 62 62 LYS HA H 62 5.507 5.507 5.043 0.464 19538 3250 1 6 . 1 1 62 62 LYS CA C 62 54.843 54.843 54.755 0.088 19538 3251 1 6 . 1 1 62 62 LYS CB C 62 35.211 35.211 32.886 2.325 19538 3252 1 6 . 1 1 62 62 LYS H H 62 8.687 8.687 8.345 0.342 19538 3253 1 6 . 1 1 63 63 LYS N N 63 121.218 121.218 124.576 -3.358 19538 3254 1 6 . 1 1 63 63 LYS HA H 63 4.595 4.595 4.633 -0.038 19538 3255 1 6 . 1 1 63 63 LYS CA C 63 54.760 54.760 54.876 -0.116 19538 3256 1 6 . 1 1 63 63 LYS CB C 63 36.712 36.712 35.531 1.181 19538 3257 1 6 . 1 1 63 63 LYS H H 63 8.797 8.797 8.983 -0.186 19538 3258 1 6 . 1 1 64 64 LEU N N 64 124.605 124.605 126.433 -1.828 19538 3259 1 6 . 1 1 64 64 LEU HA H 64 4.920 4.920 4.544 0.376 19538 3260 1 6 . 1 1 64 64 LEU CA C 64 53.797 53.797 53.605 0.192 19538 3261 1 6 . 1 1 64 64 LEU CB C 64 43.553 43.553 41.205 2.348 19538 3262 1 6 . 1 1 64 64 LEU H H 64 8.604 8.604 8.731 -0.127 19538 3263 1 6 . 1 1 65 65 ASP N N 65 122.577 122.577 125.816 -3.239 19538 3264 1 6 . 1 1 65 65 ASP HA H 65 4.664 4.664 4.842 -0.178 19538 3265 1 6 . 1 1 65 65 ASP CA C 65 51.824 51.824 53.955 -2.131 19538 3266 1 6 . 1 1 65 65 ASP CB C 65 41.277 41.277 42.433 -1.156 19538 3267 1 6 . 1 1 65 65 ASP H H 65 8.455 8.455 7.904 0.551 19538 3268 1 6 . 1 1 66 66 LYS N N 66 117.718 117.718 121.987 -4.269 19538 3269 1 6 . 1 1 66 66 LYS HA H 66 4.052 4.052 3.854 0.198 19538 3270 1 6 . 1 1 66 66 LYS CA C 66 58.116 58.116 59.397 -1.280 19538 3271 1 6 . 1 1 66 66 LYS CB C 66 31.677 31.677 31.170 0.507 19538 3272 1 6 . 1 1 66 66 LYS H H 66 8.339 8.339 8.832 -0.493 19538 3273 1 6 . 1 1 67 67 GLU N N 67 118.253 118.253 119.322 -1.069 19538 3274 1 6 . 1 1 67 67 GLU HA H 67 4.323 4.323 4.242 0.081 19538 3275 1 6 . 1 1 67 67 GLU CA C 67 56.018 56.018 56.684 -0.666 19538 3276 1 6 . 1 1 67 67 GLU CB C 67 29.587 29.587 30.021 -0.434 19538 3277 1 6 . 1 1 67 67 GLU H H 67 8.096 8.096 8.137 -0.041 19538 3278 1 6 . 1 1 68 68 GLY N N 68 107.960 107.960 106.649 1.311 19538 3279 1 6 . 1 1 68 68 GLY CA C 68 45.213 45.213 44.829 0.384 19538 3280 1 6 . 1 1 68 68 GLY H H 68 8.168 8.168 8.629 -0.461 19538 3281 1 6 . 1 1 69 69 ARG N N 69 121.436 121.436 120.100 1.336 19538 3282 1 6 . 1 1 69 69 ARG HA H 69 4.482 4.482 4.665 -0.183 19538 3283 1 6 . 1 1 69 69 ARG CA C 69 54.229 54.229 53.939 0.290 19538 3284 1 6 . 1 1 69 69 ARG CB C 69 30.399 30.399 32.279 -1.880 19538 3285 1 6 . 1 1 69 69 ARG H H 69 8.590 8.590 7.488 1.102 19538 3286 1 6 . 1 1 70 70 THR N N 70 120.709 120.709 120.721 -0.012 19538 3287 1 6 . 1 1 70 70 THR HA H 70 4.298 4.298 4.509 -0.211 19538 3288 1 6 . 1 1 70 70 THR CA C 70 64.365 64.365 63.695 0.670 19538 3289 1 6 . 1 1 70 70 THR CB C 70 68.832 68.832 69.263 -0.431 19538 3290 1 6 . 1 1 70 70 THR H H 70 8.822 8.822 8.593 0.229 19538 3291 1 6 . 1 1 71 71 HIS N N 71 127.496 127.496 127.199 0.297 19538 3292 1 6 . 1 1 71 71 HIS HA H 71 5.138 5.138 4.756 0.382 19538 3293 1 6 . 1 1 71 71 HIS CA C 71 53.948 53.948 55.404 -1.456 19538 3294 1 6 . 1 1 71 71 HIS CB C 71 31.791 31.791 31.409 0.382 19538 3295 1 6 . 1 1 71 71 HIS H H 71 9.384 9.384 9.748 -0.364 19538 3296 1 6 . 1 1 72 72 HIS N N 72 121.684 121.684 127.475 -5.791 19538 3297 1 6 . 1 1 72 72 HIS HA H 72 5.094 5.094 5.346 -0.252 19538 3298 1 6 . 1 1 72 72 HIS CA C 72 54.390 54.390 54.122 0.268 19538 3299 1 6 . 1 1 72 72 HIS CB C 72 33.961 33.961 31.301 2.660 19538 3300 1 6 . 1 1 72 72 HIS H H 72 9.076 9.076 9.629 -0.553 19538 3301 1 6 . 1 1 73 73 TYR N N 73 121.287 121.287 125.136 -3.849 19538 3302 1 6 . 1 1 73 73 TYR HA H 73 5.305 5.305 4.975 0.330 19538 3303 1 6 . 1 1 73 73 TYR CA C 73 56.017 56.017 57.485 -1.468 19538 3304 1 6 . 1 1 73 73 TYR CB C 73 39.479 39.479 39.899 -0.420 19538 3305 1 6 . 1 1 73 73 TYR H H 73 9.305 9.305 8.863 0.442 19538 3306 1 6 . 1 1 74 74 MET N N 74 124.078 124.078 124.665 -0.587 19538 3307 1 6 . 1 1 74 74 MET HA H 74 4.867 4.867 5.651 -0.784 19538 3308 1 6 . 1 1 74 74 MET CA C 74 54.701 54.701 54.301 0.400 19538 3309 1 6 . 1 1 74 74 MET CB C 74 38.007 38.007 36.959 1.048 19538 3310 1 6 . 1 1 74 74 MET H H 74 8.761 8.761 9.625 -0.864 19538 3311 1 6 . 1 1 75 75 ARG N N 75 123.962 123.962 124.496 -0.534 19538 3312 1 6 . 1 1 75 75 ARG HA H 75 5.471 5.471 5.689 -0.218 19538 3313 1 6 . 1 1 75 75 ARG CA C 75 53.340 53.340 54.171 -0.831 19538 3314 1 6 . 1 1 75 75 ARG CB C 75 34.441 34.441 33.076 1.365 19538 3315 1 6 . 1 1 75 75 ARG H H 75 8.427 8.427 8.618 -0.191 19538 3316 1 6 . 1 1 76 76 PHE N N 76 114.935 114.935 116.679 -1.744 19538 3317 1 6 . 1 1 76 76 PHE HA H 76 4.621 4.621 5.679 -1.058 19538 3318 1 6 . 1 1 76 76 PHE CA C 76 55.856 55.856 55.850 0.006 19538 3319 1 6 . 1 1 76 76 PHE CB C 76 39.167 39.167 41.802 -2.635 19538 3320 1 6 . 1 1 76 76 PHE H H 76 8.296 8.296 8.889 -0.593 19538 3321 1 6 . 1 1 77 77 HIS N N 77 117.830 117.830 119.220 -1.390 19538 3322 1 6 . 1 1 77 77 HIS HA H 77 5.451 5.451 5.651 -0.200 19538 3323 1 6 . 1 1 77 77 HIS CA C 77 54.767 54.767 55.790 -1.023 19538 3324 1 6 . 1 1 77 77 HIS CB C 77 31.102 31.102 32.339 -1.237 19538 3325 1 6 . 1 1 77 77 HIS H H 77 9.190 9.190 9.648 -0.458 19538 3326 1 6 . 1 1 78 78 VAL N N 78 114.372 114.372 118.114 -3.742 19538 3327 1 6 . 1 1 78 78 VAL HA H 78 5.110 5.110 4.937 0.173 19538 3328 1 6 . 1 1 78 78 VAL CA C 78 59.653 59.653 59.270 0.383 19538 3329 1 6 . 1 1 78 78 VAL CB C 78 35.073 35.073 36.104 -1.031 19538 3330 1 6 . 1 1 78 78 VAL H H 78 7.860 7.860 9.450 -1.590 19538 3331 1 6 . 1 1 79 79 GLU N N 79 126.076 126.076 122.588 3.488 19538 3332 1 6 . 1 1 79 79 GLU HA H 79 5.400 5.400 4.952 0.448 19538 3333 1 6 . 1 1 79 79 GLU CA C 79 54.316 54.316 55.308 -0.992 19538 3334 1 6 . 1 1 79 79 GLU CB C 79 34.060 34.060 31.892 2.168 19538 3335 1 6 . 1 1 79 79 GLU H H 79 9.213 9.213 9.116 0.097 19538 3336 1 6 . 1 1 80 80 SER N N 80 124.627 124.627 123.086 1.541 19538 3337 1 6 . 1 1 80 80 SER HA H 80 4.892 4.892 4.735 0.157 19538 3338 1 6 . 1 1 80 80 SER CA C 80 54.930 54.930 57.842 -2.912 19538 3339 1 6 . 1 1 80 80 SER CB C 80 67.503 67.503 63.935 3.568 19538 3340 1 6 . 1 1 80 80 SER H H 80 9.464 9.464 9.306 0.158 19538 3341 1 6 . 1 1 81 81 LYS N N 81 119.240 119.240 120.363 -1.123 19538 3342 1 6 . 1 1 81 81 LYS HA H 81 4.000 4.000 4.221 -0.221 19538 3343 1 6 . 1 1 81 81 LYS CA C 81 59.099 59.099 58.410 0.689 19538 3344 1 6 . 1 1 81 81 LYS CB C 81 31.721 31.721 32.467 -0.746 19538 3345 1 6 . 1 1 81 81 LYS H H 81 10.052 10.052 8.413 1.639 19538 3346 1 6 . 1 1 82 82 LYS N N 82 114.688 114.688 114.190 0.498 19538 3347 1 6 . 1 1 82 82 LYS HA H 82 4.365 4.365 4.467 -0.102 19538 3348 1 6 . 1 1 82 82 LYS CA C 82 56.211 56.211 55.316 0.894 19538 3349 1 6 . 1 1 82 82 LYS CB C 82 36.484 36.484 34.108 2.376 19538 3350 1 6 . 1 1 82 82 LYS H H 82 7.782 7.782 7.757 0.025 19538 3351 1 6 . 1 1 83 83 LYS N N 83 118.992 118.992 118.978 0.014 19538 3352 1 6 . 1 1 83 83 LYS HA H 83 4.749 4.749 4.678 0.071 19538 3353 1 6 . 1 1 83 83 LYS CA C 83 53.590 53.590 54.648 -1.058 19538 3354 1 6 . 1 1 83 83 LYS CB C 83 39.218 39.218 36.464 2.755 19538 3355 1 6 . 1 1 83 83 LYS H H 83 7.962 7.962 7.673 0.289 19538 3356 1 6 . 1 1 84 84 ILE N N 84 118.513 118.513 120.171 -1.658 19538 3357 1 6 . 1 1 84 84 ILE HA H 84 4.556 4.556 4.725 -0.169 19538 3358 1 6 . 1 1 84 84 ILE CA C 84 60.643 60.643 60.495 0.148 19538 3359 1 6 . 1 1 84 84 ILE CB C 84 39.946 39.946 39.055 0.891 19538 3360 1 6 . 1 1 84 84 ILE H H 84 7.927 7.927 8.518 -0.591 19538 3361 1 6 . 1 1 85 85 ALA N N 85 127.327 127.327 130.096 -2.769 19538 3362 1 6 . 1 1 85 85 ALA HA H 85 5.048 5.048 5.154 -0.106 19538 3363 1 6 . 1 1 85 85 ALA CA C 85 49.316 49.316 49.648 -0.332 19538 3364 1 6 . 1 1 85 85 ALA CB C 85 24.205 24.205 23.163 1.042 19538 3365 1 6 . 1 1 85 85 ALA H H 85 9.211 9.211 9.260 -0.049 19538 3366 1 6 . 1 1 86 86 LEU N N 86 122.978 122.978 122.422 0.556 19538 3367 1 6 . 1 1 86 86 LEU HA H 86 4.554 4.554 4.767 -0.213 19538 3368 1 6 . 1 1 86 86 LEU CA C 86 53.671 53.671 53.036 0.635 19538 3369 1 6 . 1 1 86 86 LEU CB C 86 44.396 44.396 45.336 -0.940 19538 3370 1 6 . 1 1 86 86 LEU H H 86 8.312 8.312 8.989 -0.677 19538 3371 1 6 . 1 1 87 87 VAL N N 87 127.511 127.511 125.865 1.646 19538 3372 1 6 . 1 1 87 87 VAL HA H 87 4.244 4.244 4.463 -0.219 19538 3373 1 6 . 1 1 87 87 VAL CA C 87 60.226 60.226 60.249 -0.023 19538 3374 1 6 . 1 1 87 87 VAL CB C 87 31.609 31.609 32.876 -1.267 19538 3375 1 6 . 1 1 87 87 VAL H H 87 9.017 9.017 8.985 0.032 19538 3376 1 6 . 1 1 88 88 HIS N N 88 124.227 124.227 127.264 -3.037 19538 3377 1 6 . 1 1 88 88 HIS HA H 88 4.687 4.687 5.143 -0.456 19538 3378 1 6 . 1 1 88 88 HIS CA C 88 54.314 54.314 52.878 1.436 19538 3379 1 6 . 1 1 88 88 HIS CB C 88 33.245 33.245 32.267 0.977 19538 3380 1 6 . 1 1 88 88 HIS H H 88 8.104 8.104 8.774 -0.670 19538 3381 1 6 . 1 1 89 89 LEU N N 89 121.992 121.992 129.151 -7.159 19538 3382 1 6 . 1 1 89 89 LEU HA H 89 5.050 5.050 5.099 -0.049 19538 3383 1 6 . 1 1 89 89 LEU CA C 89 52.983 52.983 53.465 -0.482 19538 3384 1 6 . 1 1 89 89 LEU CB C 89 46.355 46.355 46.511 -0.156 19538 3385 1 6 . 1 1 89 89 LEU H H 89 8.600 8.600 9.713 -1.113 19538 3386 1 6 . 1 1 90 90 GLU N N 90 121.551 121.551 125.165 -3.614 19538 3387 1 6 . 1 1 90 90 GLU HA H 90 5.253 5.253 5.777 -0.524 19538 3388 1 6 . 1 1 90 90 GLU CA C 90 53.422 53.422 54.596 -1.174 19538 3389 1 6 . 1 1 90 90 GLU CB C 90 33.238 33.238 33.412 -0.174 19538 3390 1 6 . 1 1 90 90 GLU H H 90 8.816 8.816 9.500 -0.684 19538 3391 1 6 . 1 1 91 91 ALA N N 91 128.266 128.266 127.058 1.208 19538 3392 1 6 . 1 1 91 91 ALA HA H 91 5.385 5.385 5.582 -0.197 19538 3393 1 6 . 1 1 91 91 ALA CA C 91 49.164 49.164 49.899 -0.735 19538 3394 1 6 . 1 1 91 91 ALA CB C 91 23.227 23.227 23.336 -0.109 19538 3395 1 6 . 1 1 91 91 ALA H H 91 9.287 9.287 9.306 -0.019 19538 3396 1 6 . 1 1 92 92 LYS N N 92 121.573 121.573 118.965 2.608 19538 3397 1 6 . 1 1 92 92 LYS HA H 92 4.884 4.884 5.306 -0.422 19538 3398 1 6 . 1 1 92 92 LYS CA C 92 54.365 54.365 53.833 0.532 19538 3399 1 6 . 1 1 92 92 LYS CB C 92 36.427 36.427 35.346 1.081 19538 3400 1 6 . 1 1 92 92 LYS H H 92 9.160 9.160 8.980 0.180 19538 3401 1 6 . 1 1 93 93 GLU N N 93 127.022 127.022 125.774 1.248 19538 3402 1 6 . 1 1 93 93 GLU HA H 93 4.145 4.145 4.081 0.064 19538 3403 1 6 . 1 1 93 93 GLU CA C 93 56.227 56.227 56.866 -0.639 19538 3404 1 6 . 1 1 93 93 GLU CB C 93 30.986 30.986 29.646 1.340 19538 3405 1 6 . 1 1 93 93 GLU H H 93 8.525 8.525 8.817 -0.292 19538 3406 1 6 . 1 1 94 94 SER N N 94 120.676 120.676 119.984 0.692 19538 3407 1 6 . 1 1 94 94 SER HA H 94 4.416 4.416 4.022 0.394 19538 3408 1 6 . 1 1 94 94 SER CA C 94 57.241 57.241 62.582 -5.341 19538 3409 1 6 . 1 1 94 94 SER CB C 94 63.634 63.634 63.704 -0.070 19538 3410 1 6 . 1 1 94 94 SER H H 94 8.877 8.877 8.340 0.537 19538 3411 1 6 . 1 1 95 95 LYS HA H 95 4.212 4.212 4.395 -0.183 19538 3412 1 6 . 1 1 95 95 LYS CA C 95 56.036 56.036 57.507 -1.470 19538 3413 1 6 . 1 1 95 95 LYS CB C 95 33.113 33.113 32.705 0.408 19538 3414 1 6 . 1 1 96 96 GLN N N 96 118.641 118.641 118.019 0.622 19538 3415 1 6 . 1 1 96 96 GLN HA H 96 4.140 4.140 4.381 -0.241 19538 3416 1 6 . 1 1 96 96 GLN CA C 96 56.338 56.338 55.262 1.076 19538 3417 1 6 . 1 1 96 96 GLN CB C 96 28.958 28.958 28.936 0.022 19538 3418 1 6 . 1 1 96 96 GLN H H 96 8.335 8.335 8.181 0.154 19538 3419 1 6 . 1 1 97 97 ASN N N 97 116.545 116.545 118.124 -1.579 19538 3420 1 6 . 1 1 97 97 ASN HA H 97 4.511 4.511 4.523 -0.012 19538 3421 1 6 . 1 1 97 97 ASN CA C 97 53.163 53.163 52.781 0.382 19538 3422 1 6 . 1 1 97 97 ASN CB C 97 38.370 38.370 39.261 -0.891 19538 3423 1 6 . 1 1 97 97 ASN H H 97 8.199 8.199 7.759 0.440 19538 3424 1 6 . 1 1 98 98 TYR N N 98 119.134 119.134 120.776 -1.642 19538 3425 1 6 . 1 1 98 98 TYR HA H 98 4.482 4.482 4.263 0.219 19538 3426 1 6 . 1 1 98 98 TYR CA C 98 57.458 57.458 59.937 -2.479 19538 3427 1 6 . 1 1 98 98 TYR CB C 98 38.539 38.539 38.669 -0.130 19538 3428 1 6 . 1 1 98 98 TYR H H 98 7.918 7.918 8.443 -0.525 19538 3429 1 6 . 1 1 99 99 GLN N N 99 119.975 119.975 116.961 3.014 19538 3430 1 6 . 1 1 99 99 GLN HA H 99 4.440 4.440 4.613 -0.173 19538 3431 1 6 . 1 1 99 99 GLN CA C 99 53.092 53.092 52.545 0.547 19538 3432 1 6 . 1 1 99 99 GLN CB C 99 27.891 27.891 29.436 -1.545 19538 3433 1 6 . 1 1 99 99 GLN H H 99 7.992 7.992 7.891 0.101 19538 3434 1 6 . 1 1 100 100 PRO HA H 100 4.294 4.294 4.240 0.054 19538 3435 1 6 . 1 1 100 100 PRO CA C 100 62.415 62.415 62.199 0.216 19538 3436 1 6 . 1 1 100 100 PRO CB C 100 32.538 32.538 31.925 0.613 19538 3437 1 6 . 1 1 101 101 ASP N N 101 120.964 120.964 121.187 -0.223 19538 3438 1 6 . 1 1 101 101 ASP HA H 101 4.654 4.654 4.484 0.170 19538 3439 1 6 . 1 1 101 101 ASP CA C 101 52.845 52.845 53.705 -0.860 19538 3440 1 6 . 1 1 101 101 ASP CB C 101 42.316 42.316 41.212 1.104 19538 3441 1 6 . 1 1 101 101 ASP H H 101 8.225 8.225 8.728 -0.503 19538 3442 1 6 . 1 1 102 102 PHE N N 102 122.913 122.913 121.114 1.799 19538 3443 1 6 . 1 1 102 102 PHE HA H 102 4.642 4.642 4.614 0.028 19538 3444 1 6 . 1 1 102 102 PHE CA C 102 57.341 57.341 58.571 -1.230 19538 3445 1 6 . 1 1 102 102 PHE CB C 102 38.576 38.576 37.885 0.691 19538 3446 1 6 . 1 1 102 102 PHE H H 102 9.014 9.014 8.374 0.640 19538 3447 1 6 . 1 1 103 103 ILE N N 103 117.131 117.131 125.025 -7.894 19538 3448 1 6 . 1 1 103 103 ILE HA H 103 4.464 4.464 3.678 0.786 19538 3449 1 6 . 1 1 103 103 ILE CA C 103 60.346 60.346 63.885 -3.539 19538 3450 1 6 . 1 1 103 103 ILE CB C 103 39.243 39.243 38.333 0.910 19538 3451 1 6 . 1 1 103 103 ILE H H 103 8.765 8.765 8.661 0.104 19538 3452 1 6 . 1 1 104 104 ASN N N 104 117.264 117.264 114.188 3.076 19538 3453 1 6 . 1 1 104 104 ASN HA H 104 4.913 4.913 4.927 -0.014 19538 3454 1 6 . 1 1 104 104 ASN CA C 104 52.710 52.710 52.802 -0.092 19538 3455 1 6 . 1 1 104 104 ASN CB C 104 41.361 41.361 41.780 -0.419 19538 3456 1 6 . 1 1 104 104 ASN H H 104 7.441 7.441 8.165 -0.724 19538 3457 1 6 . 1 1 105 105 MET N N 105 125.685 125.685 120.610 5.075 19538 3458 1 6 . 1 1 105 105 MET HA H 105 5.484 5.484 5.387 0.097 19538 3459 1 6 . 1 1 105 105 MET CA C 105 56.071 56.071 55.069 1.002 19538 3460 1 6 . 1 1 105 105 MET CB C 105 34.514 34.514 35.197 -0.683 19538 3461 1 6 . 1 1 105 105 MET H H 105 9.244 9.244 8.183 1.061 19538 3462 1 6 . 1 1 106 106 TYR N N 106 125.856 125.856 120.831 5.025 19538 3463 1 6 . 1 1 106 106 TYR HA H 106 5.438 5.438 5.448 -0.010 19538 3464 1 6 . 1 1 106 106 TYR CA C 106 54.552 54.552 55.232 -0.680 19538 3465 1 6 . 1 1 106 106 TYR CB C 106 40.104 40.104 40.869 -0.765 19538 3466 1 6 . 1 1 106 106 TYR H H 106 8.893 8.893 8.786 0.107 19538 3467 1 6 . 1 1 107 107 VAL N N 107 117.033 117.033 120.160 -3.127 19538 3468 1 6 . 1 1 107 107 VAL HA H 107 4.957 4.957 4.481 0.476 19538 3469 1 6 . 1 1 107 107 VAL CA C 107 60.008 60.008 61.461 -1.453 19538 3470 1 6 . 1 1 107 107 VAL CB C 107 35.319 35.319 34.147 1.172 19538 3471 1 6 . 1 1 107 107 VAL H H 107 9.041 9.041 9.349 -0.308 19538 3472 1 6 . 1 1 108 108 ASP N N 108 129.995 129.995 129.218 0.777 19538 3473 1 6 . 1 1 108 108 ASP HA H 108 5.240 5.240 5.055 0.185 19538 3474 1 6 . 1 1 108 108 ASP CA C 108 52.975 52.975 52.456 0.519 19538 3475 1 6 . 1 1 108 108 ASP CB C 108 42.245 42.245 42.141 0.104 19538 3476 1 6 . 1 1 108 108 ASP H H 108 9.382 9.382 9.458 -0.076 19538 3477 1 6 . 1 1 109 109 VAL N N 109 129.641 129.641 126.750 2.891 19538 3478 1 6 . 1 1 109 109 VAL HA H 109 4.464 4.464 4.471 -0.007 19538 3479 1 6 . 1 1 109 109 VAL CA C 109 58.694 58.694 58.998 -0.304 19538 3480 1 6 . 1 1 109 109 VAL CB C 109 33.061 33.061 33.795 -0.734 19538 3481 1 6 . 1 1 109 109 VAL H H 109 9.181 9.181 8.140 1.041 19538 3482 1 6 . 1 1 110 110 PRO HA H 110 4.288 4.288 4.321 -0.033 19538 3483 1 6 . 1 1 110 110 PRO CA C 110 64.107 64.107 64.396 -0.289 19538 3484 1 6 . 1 1 110 110 PRO CB C 110 31.557 31.557 31.979 -0.422 19538 3485 1 6 . 1 1 111 111 GLY N N 111 112.873 112.873 110.207 2.666 19538 3486 1 6 . 1 1 111 111 GLY CA C 111 44.872 44.872 45.280 -0.408 19538 3487 1 6 . 1 1 111 111 GLY H H 111 8.839 8.839 8.768 0.071 19538 3488 1 6 . 1 1 112 112 GLU N N 112 118.157 118.157 119.475 -1.318 19538 3489 1 6 . 1 1 112 112 GLU HA H 112 4.858 4.858 4.655 0.203 19538 3490 1 6 . 1 1 112 112 GLU CA C 112 52.732 52.732 54.569 -1.837 19538 3491 1 6 . 1 1 112 112 GLU CB C 112 31.513 31.513 32.509 -0.996 19538 3492 1 6 . 1 1 112 112 GLU H H 112 8.136 8.136 7.891 0.245 19538 3493 1 6 . 1 1 113 113 LYS N N 113 121.944 121.944 120.901 1.043 19538 3494 1 6 . 1 1 113 113 LYS HA H 113 4.208 4.208 4.422 -0.214 19538 3495 1 6 . 1 1 113 113 LYS CA C 113 55.810 55.810 55.559 0.251 19538 3496 1 6 . 1 1 113 113 LYS CB C 113 32.157 32.157 33.104 -0.947 19538 3497 1 6 . 1 1 113 113 LYS H H 113 8.847 8.847 8.546 0.301 19538 3498 1 6 . 1 1 114 114 ARG N N 114 126.520 126.520 122.452 4.068 19538 3499 1 6 . 1 1 114 114 ARG HA H 114 4.064 4.064 4.521 -0.457 19538 3500 1 6 . 1 1 114 114 ARG CA C 114 57.914 57.914 56.841 1.073 19538 3501 1 6 . 1 1 114 114 ARG CB C 114 30.627 30.627 30.643 -0.016 19538 3502 1 6 . 1 1 114 114 ARG H H 114 8.539 8.539 8.484 0.055 19538 3503 1 6 . 1 1 115 115 TYR N N 115 128.478 128.478 126.788 1.690 19538 3504 1 6 . 1 1 115 115 TYR HA H 115 4.671 4.671 4.788 -0.117 19538 3505 1 6 . 1 1 115 115 TYR CA C 115 56.519 56.519 56.402 0.117 19538 3506 1 6 . 1 1 115 115 TYR CB C 115 40.193 40.193 41.339 -1.146 19538 3507 1 6 . 1 1 115 115 TYR H H 115 8.333 8.333 9.356 -1.023 19538 3508 1 6 . 1 1 116 116 TYR N N 116 127.101 127.101 128.606 -1.505 19538 3509 1 6 . 1 1 116 116 TYR HA H 116 4.553 4.553 4.674 -0.121 19538 3510 1 6 . 1 1 116 116 TYR CA C 116 58.502 58.502 58.471 0.031 19538 3511 1 6 . 1 1 116 116 TYR CB C 116 38.842 38.842 37.208 1.634 19538 3512 1 6 . 1 1 116 116 TYR H H 116 8.740 8.740 8.679 0.061 19538 3513 1 6 . 1 1 117 117 LEU N N 117 125.574 125.574 125.166 0.408 19538 3514 1 6 . 1 1 117 117 LEU HA H 117 4.394 4.394 4.389 0.005 19538 3515 1 6 . 1 1 117 117 LEU CA C 117 57.384 57.384 56.800 0.584 19538 3516 1 6 . 1 1 117 117 LEU CB C 117 43.272 43.272 42.837 0.435 19538 3517 1 6 . 1 1 117 117 LEU H H 117 8.427 8.427 8.191 0.236 19538 3518 1 6 . 1 1 118 118 ILE N N 118 118.478 118.478 118.971 -0.493 19538 3519 1 6 . 1 1 118 118 ILE HA H 118 4.199 4.199 4.258 -0.059 19538 3520 1 6 . 1 1 118 118 ILE CA C 118 60.074 60.074 60.290 -0.216 19538 3521 1 6 . 1 1 118 118 ILE CB C 118 40.895 40.895 39.910 0.985 19538 3522 1 6 . 1 1 118 118 ILE H H 118 7.983 7.983 8.163 -0.180 19538 3523 1 6 . 1 1 119 119 LYS N N 119 127.589 127.589 128.948 -1.359 19538 3524 1 6 . 1 1 119 119 LYS HA H 119 4.778 4.778 4.568 0.210 19538 3525 1 6 . 1 1 119 119 LYS CA C 119 53.232 53.232 52.954 0.278 19538 3526 1 6 . 1 1 119 119 LYS CB C 119 32.581 32.581 30.944 1.637 19538 3527 1 6 . 1 1 119 119 LYS H H 119 8.550 8.550 8.593 -0.043 19538 3528 1 6 . 1 1 120 120 PRO HA H 120 4.534 4.534 4.707 -0.173 19538 3529 1 6 . 1 1 120 120 PRO CA C 120 62.395 62.395 62.302 0.093 19538 3530 1 6 . 1 1 120 120 PRO CB C 120 32.059 32.059 32.683 -0.624 19538 3531 1 6 . 1 1 121 121 LYS N N 121 122.191 122.191 122.143 0.048 19538 3532 1 6 . 1 1 121 121 LYS HA H 121 4.136 4.136 4.281 -0.145 19538 3533 1 6 . 1 1 121 121 LYS CA C 121 55.840 55.840 55.690 0.150 19538 3534 1 6 . 1 1 121 121 LYS CB C 121 33.162 33.162 29.486 3.676 19538 3535 1 6 . 1 1 121 121 LYS H H 121 8.406 8.406 8.604 -0.198 19538 3536 1 6 . 1 1 122 122 LEU N N 122 122.972 122.972 121.554 1.418 19538 3537 1 6 . 1 1 122 122 LEU HA H 122 4.219 4.219 4.138 0.081 19538 3538 1 6 . 1 1 122 122 LEU CA C 122 54.494 54.494 56.844 -2.350 19538 3539 1 6 . 1 1 122 122 LEU CB C 122 41.990 41.990 42.297 -0.307 19538 3540 1 6 . 1 1 122 122 LEU H H 122 8.158 8.158 8.572 -0.414 19538 3541 1 6 . 1 1 123 123 HIS N N 123 121.608 121.608 113.387 8.221 19538 3542 1 6 . 1 1 123 123 HIS HA H 123 4.776 4.776 4.806 -0.030 19538 3543 1 6 . 1 1 123 123 HIS CA C 123 53.651 53.651 53.807 -0.156 19538 3544 1 6 . 1 1 123 123 HIS CB C 123 30.145 30.145 31.593 -1.448 19538 3545 1 6 . 1 1 123 123 HIS H H 123 8.172 8.172 7.770 0.402 19538 3546 1 6 . 1 1 124 124 PRO HA H 124 4.085 4.085 4.487 -0.402 19538 3547 1 6 . 1 1 124 124 PRO CA C 124 62.119 62.119 62.766 -0.647 19538 3548 1 6 . 1 1 124 124 PRO CB C 124 33.900 33.900 32.563 1.337 19538 3549 1 6 . 1 1 125 125 VAL N N 125 120.758 120.758 121.344 -0.586 19538 3550 1 6 . 1 1 125 125 VAL HA H 125 4.085 4.085 3.789 0.296 19538 3551 1 6 . 1 1 125 125 VAL CA C 125 61.791 61.791 64.877 -3.087 19538 3552 1 6 . 1 1 125 125 VAL CB C 125 32.635 32.635 31.855 0.780 19538 3553 1 6 . 1 1 125 125 VAL H H 125 8.361 8.361 8.252 0.109 19538 3554 1 6 . 1 1 126 126 SER N N 126 119.450 119.450 116.995 2.455 19538 3555 1 6 . 1 1 126 126 SER HA H 126 4.417 4.417 4.615 -0.198 19538 3556 1 6 . 1 1 126 126 SER CA C 126 57.522 57.522 58.358 -0.836 19538 3557 1 6 . 1 1 126 126 SER CB C 126 63.634 63.634 61.460 2.174 19538 3558 1 6 . 1 1 126 126 SER H H 126 8.323 8.323 8.426 -0.103 19538 3559 1 7 . 1 1 2 2 ALA N N 2 122.815 122.815 124.995 -2.180 19538 3560 1 7 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.623 -0.330 19538 3561 1 7 . 1 1 2 2 ALA CA C 2 52.085 52.085 52.230 -0.145 19538 3562 1 7 . 1 1 2 2 ALA CB C 2 19.067 19.067 17.933 1.134 19538 3563 1 7 . 1 1 2 2 ALA H H 2 8.102 8.102 8.452 -0.350 19538 3564 1 7 . 1 1 3 3 MET N N 3 119.897 119.897 121.121 -1.224 19538 3565 1 7 . 1 1 3 3 MET HA H 3 4.401 4.401 4.271 0.130 19538 3566 1 7 . 1 1 3 3 MET CA C 3 55.339 55.339 58.500 -3.161 19538 3567 1 7 . 1 1 3 3 MET CB C 3 32.938 32.938 32.832 0.106 19538 3568 1 7 . 1 1 3 3 MET H H 3 8.501 8.501 8.545 -0.044 19538 3569 1 7 . 1 1 4 4 GLY N N 4 110.174 110.174 105.952 4.222 19538 3570 1 7 . 1 1 4 4 GLY CA C 4 44.706 44.706 45.018 -0.312 19538 3571 1 7 . 1 1 4 4 GLY H H 4 8.498 8.498 8.742 -0.244 19538 3572 1 7 . 1 1 5 5 SER HA H 5 4.368 4.368 4.632 -0.264 19538 3573 1 7 . 1 1 5 5 SER CA C 5 58.467 58.467 58.499 -0.032 19538 3574 1 7 . 1 1 5 5 SER CB C 5 63.530 63.530 64.126 -0.596 19538 3575 1 7 . 1 1 6 6 GLY CA C 6 45.983 45.983 48.250 -2.267 19538 3576 1 7 . 1 1 7 7 ASP N N 7 122.649 122.649 120.221 2.428 19538 3577 1 7 . 1 1 7 7 ASP HA H 7 4.375 4.375 4.510 -0.135 19538 3578 1 7 . 1 1 7 7 ASP CA C 7 56.523 56.523 57.329 -0.806 19538 3579 1 7 . 1 1 7 7 ASP CB C 7 40.235 40.235 39.344 0.891 19538 3580 1 7 . 1 1 7 7 ASP H H 7 8.457 8.457 8.772 -0.315 19538 3581 1 7 . 1 1 8 8 THR N N 8 116.751 116.751 116.897 -0.146 19538 3582 1 7 . 1 1 8 8 THR HA H 8 3.853 3.853 4.006 -0.153 19538 3583 1 7 . 1 1 8 8 THR CA C 8 66.104 66.104 67.797 -1.693 19538 3584 1 7 . 1 1 8 8 THR CB C 8 68.047 68.047 68.516 -0.469 19538 3585 1 7 . 1 1 8 8 THR H H 8 8.128 8.128 8.135 -0.007 19538 3586 1 7 . 1 1 9 9 GLN N N 9 120.186 120.186 121.404 -1.218 19538 3587 1 7 . 1 1 9 9 GLN HA H 9 4.038 4.038 4.118 -0.080 19538 3588 1 7 . 1 1 9 9 GLN CA C 9 58.699 58.699 59.563 -0.864 19538 3589 1 7 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.741 -0.641 19538 3590 1 7 . 1 1 9 9 GLN H H 9 7.831 7.831 8.846 -1.015 19538 3591 1 7 . 1 1 10 10 LEU N N 10 120.735 120.735 120.300 0.435 19538 3592 1 7 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.125 -0.208 19538 3593 1 7 . 1 1 10 10 LEU CA C 10 58.126 58.126 58.363 -0.237 19538 3594 1 7 . 1 1 10 10 LEU CB C 10 41.935 41.935 41.776 0.159 19538 3595 1 7 . 1 1 10 10 LEU H H 10 7.670 7.670 9.114 -1.444 19538 3596 1 7 . 1 1 11 11 PHE N N 11 117.802 117.802 120.597 -2.795 19538 3597 1 7 . 1 1 11 11 PHE HA H 11 3.821 3.821 3.812 0.009 19538 3598 1 7 . 1 1 11 11 PHE CA C 11 60.224 60.224 62.188 -1.964 19538 3599 1 7 . 1 1 11 11 PHE CB C 11 38.798 38.798 38.860 -0.062 19538 3600 1 7 . 1 1 11 11 PHE H H 11 7.939 7.939 9.276 -1.337 19538 3601 1 7 . 1 1 12 12 ASN N N 12 117.152 117.152 118.210 -1.058 19538 3602 1 7 . 1 1 12 12 ASN HA H 12 3.868 3.868 4.221 -0.353 19538 3603 1 7 . 1 1 12 12 ASN CA C 12 55.410 55.410 56.780 -1.370 19538 3604 1 7 . 1 1 12 12 ASN CB C 12 37.188 37.188 38.003 -0.815 19538 3605 1 7 . 1 1 12 12 ASN H H 12 8.562 8.562 8.767 -0.205 19538 3606 1 7 . 1 1 13 13 ARG N N 13 119.825 119.825 121.035 -1.210 19538 3607 1 7 . 1 1 13 13 ARG HA H 13 3.914 3.914 4.103 -0.189 19538 3608 1 7 . 1 1 13 13 ARG CA C 13 58.623 58.623 59.714 -1.091 19538 3609 1 7 . 1 1 13 13 ARG CB C 13 31.719 31.719 30.397 1.322 19538 3610 1 7 . 1 1 13 13 ARG H H 13 8.006 8.006 8.766 -0.760 19538 3611 1 7 . 1 1 14 14 ALA N N 14 122.749 122.749 122.608 0.141 19538 3612 1 7 . 1 1 14 14 ALA HA H 14 3.938 3.938 3.890 0.048 19538 3613 1 7 . 1 1 14 14 ALA CA C 14 54.976 54.976 54.893 0.083 19538 3614 1 7 . 1 1 14 14 ALA CB C 14 19.446 19.446 18.699 0.747 19538 3615 1 7 . 1 1 14 14 ALA H H 14 8.163 8.163 8.549 -0.386 19538 3616 1 7 . 1 1 15 15 VAL N N 15 118.460 118.460 119.192 -0.732 19538 3617 1 7 . 1 1 15 15 VAL HA H 15 3.219 3.219 3.634 -0.415 19538 3618 1 7 . 1 1 15 15 VAL CA C 15 66.611 66.611 65.042 1.569 19538 3619 1 7 . 1 1 15 15 VAL CB C 15 30.889 30.889 30.704 0.185 19538 3620 1 7 . 1 1 15 15 VAL H H 15 8.718 8.718 8.426 0.292 19538 3621 1 7 . 1 1 16 16 SER N N 16 113.102 113.102 116.026 -2.924 19538 3622 1 7 . 1 1 16 16 SER HA H 16 4.144 4.144 4.098 0.046 19538 3623 1 7 . 1 1 16 16 SER CA C 16 60.888 60.888 62.039 -1.151 19538 3624 1 7 . 1 1 16 16 SER CB C 16 62.503 62.503 62.553 -0.050 19538 3625 1 7 . 1 1 16 16 SER H H 16 7.243 7.243 8.089 -0.846 19538 3626 1 7 . 1 1 17 17 MET N N 17 117.447 117.447 120.706 -3.259 19538 3627 1 7 . 1 1 17 17 MET HA H 17 3.875 3.875 4.144 -0.269 19538 3628 1 7 . 1 1 17 17 MET CA C 17 58.575 58.575 58.630 -0.055 19538 3629 1 7 . 1 1 17 17 MET CB C 17 33.489 33.489 32.628 0.861 19538 3630 1 7 . 1 1 17 17 MET H H 17 7.232 7.232 7.384 -0.152 19538 3631 1 7 . 1 1 18 18 VAL N N 18 117.842 117.842 115.469 2.373 19538 3632 1 7 . 1 1 18 18 VAL HA H 18 3.357 3.357 3.778 -0.421 19538 3633 1 7 . 1 1 18 18 VAL CA C 18 66.065 66.065 65.755 0.310 19538 3634 1 7 . 1 1 18 18 VAL CB C 18 31.686 31.686 30.685 1.001 19538 3635 1 7 . 1 1 18 18 VAL H H 18 7.678 7.678 7.713 -0.035 19538 3636 1 7 . 1 1 19 19 GLU N N 19 113.150 113.150 120.751 -7.601 19538 3637 1 7 . 1 1 19 19 GLU HA H 19 3.618 3.618 3.960 -0.342 19538 3638 1 7 . 1 1 19 19 GLU CA C 19 58.198 58.198 59.959 -1.761 19538 3639 1 7 . 1 1 19 19 GLU CB C 19 29.786 29.786 29.587 0.199 19538 3640 1 7 . 1 1 19 19 GLU H H 19 8.378 8.378 8.654 -0.276 19538 3641 1 7 . 1 1 20 20 LYS N N 20 114.076 114.076 114.847 -0.771 19538 3642 1 7 . 1 1 20 20 LYS HA H 20 4.243 4.243 4.376 -0.133 19538 3643 1 7 . 1 1 20 20 LYS CA C 20 55.725 55.725 54.407 1.318 19538 3644 1 7 . 1 1 20 20 LYS CB C 20 33.032 33.032 32.194 0.838 19538 3645 1 7 . 1 1 20 20 LYS H H 20 7.072 7.072 8.067 -0.995 19538 3646 1 7 . 1 1 21 21 ASN N N 21 121.025 121.025 120.964 0.061 19538 3647 1 7 . 1 1 21 21 ASN HA H 21 4.555 4.555 4.552 0.003 19538 3648 1 7 . 1 1 21 21 ASN CA C 21 53.766 53.766 52.365 1.401 19538 3649 1 7 . 1 1 21 21 ASN CB C 21 39.835 39.835 38.947 0.888 19538 3650 1 7 . 1 1 21 21 ASN H H 21 7.230 7.230 7.407 -0.177 19538 3651 1 7 . 1 1 22 22 LYS N N 22 128.112 128.112 127.761 0.351 19538 3652 1 7 . 1 1 22 22 LYS HA H 22 3.698 3.698 3.889 -0.191 19538 3653 1 7 . 1 1 22 22 LYS CA C 22 59.519 59.519 59.579 -0.060 19538 3654 1 7 . 1 1 22 22 LYS CB C 22 32.140 32.140 31.395 0.744 19538 3655 1 7 . 1 1 22 22 LYS H H 22 8.846 8.846 8.781 0.065 19538 3656 1 7 . 1 1 23 23 ASP N N 23 120.250 120.250 120.548 -0.298 19538 3657 1 7 . 1 1 23 23 ASP HA H 23 4.297 4.297 4.332 -0.035 19538 3658 1 7 . 1 1 23 23 ASP CA C 23 56.787 56.787 56.974 -0.187 19538 3659 1 7 . 1 1 23 23 ASP CB C 23 39.444 39.444 39.892 -0.447 19538 3660 1 7 . 1 1 23 23 ASP H H 23 7.731 7.731 8.562 -0.831 19538 3661 1 7 . 1 1 24 24 ILE N N 24 121.988 121.988 120.678 1.310 19538 3662 1 7 . 1 1 24 24 ILE HA H 24 3.219 3.219 3.379 -0.160 19538 3663 1 7 . 1 1 24 24 ILE CA C 24 63.375 63.375 65.318 -1.943 19538 3664 1 7 . 1 1 24 24 ILE CB C 24 35.424 35.424 37.680 -2.256 19538 3665 1 7 . 1 1 24 24 ILE H H 24 8.431 8.431 7.162 1.269 19538 3666 1 7 . 1 1 25 25 ARG N N 25 118.181 118.181 120.088 -1.907 19538 3667 1 7 . 1 1 25 25 ARG HA H 25 3.810 3.810 3.816 -0.006 19538 3668 1 7 . 1 1 25 25 ARG CA C 25 60.546 60.546 60.482 0.064 19538 3669 1 7 . 1 1 25 25 ARG CB C 25 30.205 30.205 29.838 0.367 19538 3670 1 7 . 1 1 25 25 ARG H H 25 8.206 8.206 8.830 -0.624 19538 3671 1 7 . 1 1 26 26 SER N N 26 112.549 112.549 116.149 -3.600 19538 3672 1 7 . 1 1 26 26 SER HA H 26 4.373 4.373 4.138 0.235 19538 3673 1 7 . 1 1 26 26 SER CA C 26 61.040 61.040 62.004 -0.964 19538 3674 1 7 . 1 1 26 26 SER CB C 26 62.096 62.096 62.944 -0.848 19538 3675 1 7 . 1 1 26 26 SER H H 26 7.518 7.518 8.509 -0.991 19538 3676 1 7 . 1 1 27 27 LEU N N 27 125.275 125.275 122.968 2.307 19538 3677 1 7 . 1 1 27 27 LEU HA H 27 4.013 4.013 4.054 -0.041 19538 3678 1 7 . 1 1 27 27 LEU CA C 27 57.652 57.652 57.607 0.045 19538 3679 1 7 . 1 1 27 27 LEU CB C 27 42.548 42.548 42.133 0.415 19538 3680 1 7 . 1 1 27 27 LEU H H 27 8.050 8.050 7.963 0.087 19538 3681 1 7 . 1 1 28 28 LEU N N 28 114.725 114.725 113.821 0.904 19538 3682 1 7 . 1 1 28 28 LEU HA H 28 3.863 3.863 4.210 -0.347 19538 3683 1 7 . 1 1 28 28 LEU CA C 28 54.299 54.299 54.875 -0.576 19538 3684 1 7 . 1 1 28 28 LEU CB C 28 42.874 42.874 41.502 1.372 19538 3685 1 7 . 1 1 28 28 LEU H H 28 8.010 8.010 8.384 -0.374 19538 3686 1 7 . 1 1 29 29 GLN N N 29 116.444 116.444 113.867 2.577 19538 3687 1 7 . 1 1 29 29 GLN HA H 29 3.854 3.854 3.949 -0.095 19538 3688 1 7 . 1 1 29 29 GLN CA C 29 55.652 55.652 56.554 -0.902 19538 3689 1 7 . 1 1 29 29 GLN CB C 29 25.300 25.300 25.277 0.023 19538 3690 1 7 . 1 1 29 29 GLN H H 29 7.972 7.972 8.165 -0.193 19538 3691 1 7 . 1 1 30 30 CYS N N 30 116.363 116.363 119.745 -3.382 19538 3692 1 7 . 1 1 30 30 CYS HA H 30 4.133 4.133 4.147 -0.014 19538 3693 1 7 . 1 1 30 30 CYS CA C 30 61.559 61.559 60.707 0.852 19538 3694 1 7 . 1 1 30 30 CYS CB C 30 27.701 27.701 25.561 2.140 19538 3695 1 7 . 1 1 30 30 CYS H H 30 7.847 7.847 8.805 -0.958 19538 3696 1 7 . 1 1 31 31 ASP N N 31 125.091 125.091 126.344 -1.253 19538 3697 1 7 . 1 1 31 31 ASP HA H 31 4.598 4.598 4.808 -0.210 19538 3698 1 7 . 1 1 31 31 ASP CA C 31 52.428 52.428 53.386 -0.959 19538 3699 1 7 . 1 1 31 31 ASP CB C 31 39.156 39.156 42.738 -3.582 19538 3700 1 7 . 1 1 31 31 ASP H H 31 9.918 9.918 8.464 1.454 19538 3701 1 7 . 1 1 32 32 ASP N N 32 124.593 124.593 123.564 1.029 19538 3702 1 7 . 1 1 32 32 ASP HA H 32 5.131 5.131 4.708 0.423 19538 3703 1 7 . 1 1 32 32 ASP CA C 32 52.190 52.190 54.972 -2.782 19538 3704 1 7 . 1 1 32 32 ASP CB C 32 41.542 41.542 41.800 -0.258 19538 3705 1 7 . 1 1 32 32 ASP H H 32 7.532 7.532 8.325 -0.793 19538 3706 1 7 . 1 1 33 33 GLY N N 33 109.888 109.888 111.797 -1.909 19538 3707 1 7 . 1 1 33 33 GLY CA C 33 44.840 44.840 45.923 -1.083 19538 3708 1 7 . 1 1 33 33 GLY H H 33 7.912 7.912 9.312 -1.400 19538 3709 1 7 . 1 1 34 34 ILE HA H 34 3.978 3.978 3.994 -0.016 19538 3710 1 7 . 1 1 34 34 ILE CA C 34 63.210 63.210 63.337 -0.127 19538 3711 1 7 . 1 1 34 34 ILE CB C 34 38.027 38.027 38.664 -0.637 19538 3712 1 7 . 1 1 35 35 THR N N 35 109.823 109.823 111.849 -2.026 19538 3713 1 7 . 1 1 35 35 THR HA H 35 4.291 4.291 4.464 -0.173 19538 3714 1 7 . 1 1 35 35 THR CA C 35 61.511 61.511 60.554 0.957 19538 3715 1 7 . 1 1 35 35 THR CB C 35 68.374 68.374 68.648 -0.274 19538 3716 1 7 . 1 1 35 35 THR H H 35 7.995 7.995 8.002 -0.007 19538 3717 1 7 . 1 1 36 36 GLY N N 36 109.916 109.916 110.827 -0.911 19538 3718 1 7 . 1 1 36 36 GLY CA C 36 44.282 44.282 45.162 -0.880 19538 3719 1 7 . 1 1 36 36 GLY H H 36 7.564 7.564 7.950 -0.386 19538 3720 1 7 . 1 1 37 37 LYS N N 37 119.833 119.833 122.390 -2.557 19538 3721 1 7 . 1 1 37 37 LYS HA H 37 4.442 4.442 5.080 -0.638 19538 3722 1 7 . 1 1 37 37 LYS CA C 37 54.520 54.520 55.346 -0.826 19538 3723 1 7 . 1 1 37 37 LYS CB C 37 33.208 33.208 33.988 -0.780 19538 3724 1 7 . 1 1 37 37 LYS H H 37 8.236 8.236 8.254 -0.018 19538 3725 1 7 . 1 1 38 38 GLU N N 38 125.697 125.697 124.570 1.127 19538 3726 1 7 . 1 1 38 38 GLU HA H 38 3.907 3.907 4.553 -0.646 19538 3727 1 7 . 1 1 38 38 GLU CA C 38 56.731 56.731 55.355 1.376 19538 3728 1 7 . 1 1 38 38 GLU CB C 38 29.779 29.779 32.137 -2.358 19538 3729 1 7 . 1 1 38 38 GLU H H 38 8.175 8.175 9.639 -1.464 19538 3730 1 7 . 1 1 39 39 ARG N N 39 128.738 128.738 122.851 5.887 19538 3731 1 7 . 1 1 39 39 ARG HA H 39 4.260 4.260 4.492 -0.232 19538 3732 1 7 . 1 1 39 39 ARG CA C 39 55.343 55.343 55.365 -0.022 19538 3733 1 7 . 1 1 39 39 ARG CB C 39 29.529 29.529 30.719 -1.190 19538 3734 1 7 . 1 1 39 39 ARG H H 39 8.920 8.920 8.499 0.421 19538 3735 1 7 . 1 1 40 40 LEU N N 40 127.659 127.659 125.160 2.499 19538 3736 1 7 . 1 1 40 40 LEU HA H 40 4.488 4.488 4.571 -0.083 19538 3737 1 7 . 1 1 40 40 LEU CA C 40 53.848 53.848 54.888 -1.040 19538 3738 1 7 . 1 1 40 40 LEU CB C 40 42.333 42.333 42.717 -0.384 19538 3739 1 7 . 1 1 40 40 LEU H H 40 8.670 8.670 8.535 0.135 19538 3740 1 7 . 1 1 41 41 LYS N N 41 121.136 121.136 122.782 -1.646 19538 3741 1 7 . 1 1 41 41 LYS HA H 41 4.647 4.647 4.690 -0.043 19538 3742 1 7 . 1 1 41 41 LYS CA C 41 55.062 55.062 54.671 0.391 19538 3743 1 7 . 1 1 41 41 LYS CB C 41 35.064 35.064 36.519 -1.455 19538 3744 1 7 . 1 1 41 41 LYS H H 41 8.273 8.273 8.275 -0.002 19538 3745 1 7 . 1 1 42 42 ALA N N 42 123.758 123.758 125.447 -1.689 19538 3746 1 7 . 1 1 42 42 ALA HA H 42 5.605 5.605 5.166 0.439 19538 3747 1 7 . 1 1 42 42 ALA CA C 42 50.529 50.529 50.875 -0.346 19538 3748 1 7 . 1 1 42 42 ALA CB C 42 22.577 22.577 21.836 0.741 19538 3749 1 7 . 1 1 42 42 ALA H H 42 8.488 8.488 8.430 0.058 19538 3750 1 7 . 1 1 43 43 TYR N N 43 116.716 116.716 119.558 -2.842 19538 3751 1 7 . 1 1 43 43 TYR HA H 43 4.758 4.758 4.944 -0.186 19538 3752 1 7 . 1 1 43 43 TYR CA C 43 55.975 55.975 55.777 0.198 19538 3753 1 7 . 1 1 43 43 TYR CB C 43 38.409 38.409 40.027 -1.618 19538 3754 1 7 . 1 1 43 43 TYR H H 43 8.123 8.123 9.185 -1.062 19538 3755 1 7 . 1 1 44 44 GLY N N 44 106.591 106.591 106.945 -0.354 19538 3756 1 7 . 1 1 44 44 GLY CA C 44 45.172 45.172 44.815 0.357 19538 3757 1 7 . 1 1 44 44 GLY H H 44 8.663 8.663 8.747 -0.084 19538 3758 1 7 . 1 1 45 45 GLU N N 45 118.850 118.850 121.313 -2.463 19538 3759 1 7 . 1 1 45 45 GLU HA H 45 4.310 4.310 3.546 0.764 19538 3760 1 7 . 1 1 45 45 GLU CA C 45 56.286 56.286 58.042 -1.756 19538 3761 1 7 . 1 1 45 45 GLU CB C 45 31.304 31.304 28.754 2.550 19538 3762 1 7 . 1 1 45 45 GLU H H 45 8.287 8.287 8.938 -0.651 19538 3763 1 7 . 1 1 46 46 LEU N N 46 124.692 124.692 124.752 -0.060 19538 3764 1 7 . 1 1 46 46 LEU HA H 46 4.361 4.361 3.824 0.537 19538 3765 1 7 . 1 1 46 46 LEU CA C 46 54.967 54.967 57.356 -2.389 19538 3766 1 7 . 1 1 46 46 LEU CB C 46 41.980 41.980 42.183 -0.203 19538 3767 1 7 . 1 1 46 46 LEU H H 46 9.010 9.010 8.030 0.980 19538 3768 1 7 . 1 1 47 47 ILE N N 47 123.302 123.302 117.249 6.053 19538 3769 1 7 . 1 1 47 47 ILE HA H 47 4.272 4.272 3.758 0.514 19538 3770 1 7 . 1 1 47 47 ILE CA C 47 60.399 60.399 64.266 -3.867 19538 3771 1 7 . 1 1 47 47 ILE CB C 47 38.676 38.676 38.108 0.568 19538 3772 1 7 . 1 1 47 47 ILE H H 47 8.407 8.407 7.448 0.959 19538 3773 1 7 . 1 1 48 48 THR N N 48 117.749 117.749 113.831 3.918 19538 3774 1 7 . 1 1 48 48 THR HA H 48 4.330 4.330 4.237 0.093 19538 3775 1 7 . 1 1 48 48 THR CA C 48 61.234 61.234 64.839 -3.605 19538 3776 1 7 . 1 1 48 48 THR CB C 48 69.327 69.327 68.978 0.349 19538 3777 1 7 . 1 1 48 48 THR H H 48 8.183 8.183 7.559 0.624 19538 3778 1 7 . 1 1 49 49 ASN N N 49 120.102 120.102 119.583 0.519 19538 3779 1 7 . 1 1 49 49 ASN HA H 49 4.585 4.585 4.566 0.019 19538 3780 1 7 . 1 1 49 49 ASN CA C 49 53.193 53.193 55.681 -2.488 19538 3781 1 7 . 1 1 49 49 ASN CB C 49 38.261 38.261 38.292 -0.031 19538 3782 1 7 . 1 1 49 49 ASN H H 49 8.418 8.418 8.354 0.064 19538 3783 1 7 . 1 1 50 50 ASP N N 50 119.783 119.783 119.516 0.267 19538 3784 1 7 . 1 1 50 50 ASP HA H 50 4.454 4.454 4.372 0.082 19538 3785 1 7 . 1 1 50 50 ASP CA C 50 53.950 53.950 56.237 -2.287 19538 3786 1 7 . 1 1 50 50 ASP CB C 50 41.231 41.231 40.440 0.791 19538 3787 1 7 . 1 1 50 50 ASP H H 50 8.096 8.096 8.240 -0.144 19538 3788 1 7 . 1 1 51 51 LYS N N 51 120.547 120.547 119.302 1.245 19538 3789 1 7 . 1 1 51 51 LYS HA H 51 4.017 4.017 3.786 0.231 19538 3790 1 7 . 1 1 51 51 LYS CA C 51 56.633 56.633 58.202 -1.569 19538 3791 1 7 . 1 1 51 51 LYS CB C 51 32.052 32.052 32.474 -0.422 19538 3792 1 7 . 1 1 51 51 LYS H H 51 8.173 8.173 7.423 0.750 19538 3793 1 7 . 1 1 52 52 TRP N N 52 120.062 120.062 116.194 3.868 19538 3794 1 7 . 1 1 52 52 TRP HA H 52 4.617 4.617 4.749 -0.132 19538 3795 1 7 . 1 1 52 52 TRP CA C 52 57.045 57.045 58.304 -1.259 19538 3796 1 7 . 1 1 52 52 TRP CB C 52 29.251 29.251 30.660 -1.409 19538 3797 1 7 . 1 1 52 52 TRP H H 52 8.094 8.094 8.422 -0.328 19538 3798 1 7 . 1 1 53 53 THR N N 53 115.770 115.770 109.501 6.269 19538 3799 1 7 . 1 1 53 53 THR HA H 53 4.262 4.262 4.505 -0.243 19538 3800 1 7 . 1 1 53 53 THR CA C 53 61.625 61.625 61.749 -0.124 19538 3801 1 7 . 1 1 53 53 THR CB C 53 69.153 69.153 69.412 -0.259 19538 3802 1 7 . 1 1 53 53 THR H H 53 7.789 7.789 8.048 -0.259 19538 3803 1 7 . 1 1 54 54 ARG N N 54 122.136 122.136 121.120 1.016 19538 3804 1 7 . 1 1 54 54 ARG HA H 54 4.133 4.133 3.937 0.196 19538 3805 1 7 . 1 1 54 54 ARG CA C 54 56.038 56.038 59.022 -2.983 19538 3806 1 7 . 1 1 54 54 ARG CB C 54 30.441 30.441 29.377 1.064 19538 3807 1 7 . 1 1 54 54 ARG H H 54 8.191 8.191 8.285 -0.094 19538 3808 1 7 . 1 1 55 55 ASN N N 55 117.842 117.842 116.233 1.609 19538 3809 1 7 . 1 1 55 55 ASN HA H 55 4.713 4.713 4.737 -0.024 19538 3810 1 7 . 1 1 55 55 ASN CA C 55 52.873 52.873 53.273 -0.400 19538 3811 1 7 . 1 1 55 55 ASN CB C 55 38.769 38.769 39.262 -0.493 19538 3812 1 7 . 1 1 55 55 ASN H H 55 8.205 8.205 8.401 -0.196 19538 3813 1 7 . 1 1 56 56 ARG N N 56 121.615 121.615 122.493 -0.878 19538 3814 1 7 . 1 1 56 56 ARG HA H 56 4.542 4.542 4.839 -0.297 19538 3815 1 7 . 1 1 56 56 ARG CA C 56 53.765 53.765 52.785 0.980 19538 3816 1 7 . 1 1 56 56 ARG CB C 56 30.009 30.009 31.377 -1.368 19538 3817 1 7 . 1 1 56 56 ARG H H 56 8.246 8.246 8.516 -0.270 19538 3818 1 7 . 1 1 57 57 PRO HA H 57 4.273 4.273 4.765 -0.492 19538 3819 1 7 . 1 1 57 57 PRO CA C 57 62.424 62.424 61.854 0.570 19538 3820 1 7 . 1 1 57 57 PRO CB C 57 31.987 31.987 32.863 -0.876 19538 3821 1 7 . 1 1 58 58 ILE N N 58 122.700 122.700 120.858 1.842 19538 3822 1 7 . 1 1 58 58 ILE HA H 58 4.089 4.089 4.019 0.070 19538 3823 1 7 . 1 1 58 58 ILE CA C 58 60.655 60.655 62.577 -1.922 19538 3824 1 7 . 1 1 58 58 ILE CB C 58 37.111 37.111 35.753 1.358 19538 3825 1 7 . 1 1 58 58 ILE H H 58 8.098 8.098 8.435 -0.337 19538 3826 1 7 . 1 1 59 59 VAL N N 59 124.097 124.097 118.446 5.651 19538 3827 1 7 . 1 1 59 59 VAL HA H 59 4.549 4.549 4.630 -0.081 19538 3828 1 7 . 1 1 59 59 VAL CA C 59 59.613 59.613 59.397 0.216 19538 3829 1 7 . 1 1 59 59 VAL CB C 59 34.980 34.980 35.863 -0.883 19538 3830 1 7 . 1 1 59 59 VAL H H 59 8.167 8.167 8.228 -0.061 19538 3831 1 7 . 1 1 60 60 SER N N 60 119.752 119.752 117.306 2.446 19538 3832 1 7 . 1 1 60 60 SER HA H 60 5.136 5.136 5.118 0.018 19538 3833 1 7 . 1 1 60 60 SER CA C 60 56.467 56.467 57.002 -0.535 19538 3834 1 7 . 1 1 60 60 SER CB C 60 64.890 64.890 63.965 0.925 19538 3835 1 7 . 1 1 60 60 SER H H 60 8.592 8.592 8.642 -0.050 19538 3836 1 7 . 1 1 61 61 THR N N 61 117.559 117.559 118.821 -1.262 19538 3837 1 7 . 1 1 61 61 THR HA H 61 4.576 4.576 4.245 0.331 19538 3838 1 7 . 1 1 61 61 THR CA C 61 61.348 61.348 62.136 -0.788 19538 3839 1 7 . 1 1 61 61 THR CB C 61 70.276 70.276 69.315 0.961 19538 3840 1 7 . 1 1 61 61 THR H H 61 9.214 9.214 8.984 0.230 19538 3841 1 7 . 1 1 62 62 LYS N N 62 123.743 123.743 127.663 -3.920 19538 3842 1 7 . 1 1 62 62 LYS HA H 62 5.507 5.507 4.323 1.184 19538 3843 1 7 . 1 1 62 62 LYS CA C 62 54.843 54.843 56.687 -1.844 19538 3844 1 7 . 1 1 62 62 LYS CB C 62 35.211 35.211 32.263 2.948 19538 3845 1 7 . 1 1 62 62 LYS H H 62 8.687 8.687 8.256 0.431 19538 3846 1 7 . 1 1 63 63 LYS N N 63 121.218 121.218 123.601 -2.383 19538 3847 1 7 . 1 1 63 63 LYS HA H 63 4.595 4.595 4.662 -0.067 19538 3848 1 7 . 1 1 63 63 LYS CA C 63 54.760 54.760 54.960 -0.200 19538 3849 1 7 . 1 1 63 63 LYS CB C 63 36.712 36.712 36.658 0.054 19538 3850 1 7 . 1 1 63 63 LYS H H 63 8.797 8.797 8.523 0.274 19538 3851 1 7 . 1 1 64 64 LEU N N 64 124.605 124.605 124.193 0.412 19538 3852 1 7 . 1 1 64 64 LEU HA H 64 4.920 4.920 4.927 -0.007 19538 3853 1 7 . 1 1 64 64 LEU CA C 64 53.797 53.797 53.453 0.344 19538 3854 1 7 . 1 1 64 64 LEU CB C 64 43.553 43.553 42.652 0.901 19538 3855 1 7 . 1 1 64 64 LEU H H 64 8.604 8.604 8.695 -0.091 19538 3856 1 7 . 1 1 65 65 ASP N N 65 122.577 122.577 125.595 -3.018 19538 3857 1 7 . 1 1 65 65 ASP HA H 65 4.664 4.664 4.713 -0.049 19538 3858 1 7 . 1 1 65 65 ASP CA C 65 51.824 51.824 53.786 -1.962 19538 3859 1 7 . 1 1 65 65 ASP CB C 65 41.277 41.277 42.708 -1.431 19538 3860 1 7 . 1 1 65 65 ASP H H 65 8.455 8.455 9.184 -0.729 19538 3861 1 7 . 1 1 66 66 LYS N N 66 117.718 117.718 122.389 -4.671 19538 3862 1 7 . 1 1 66 66 LYS HA H 66 4.052 4.052 3.919 0.133 19538 3863 1 7 . 1 1 66 66 LYS CA C 66 58.116 58.116 59.301 -1.185 19538 3864 1 7 . 1 1 66 66 LYS CB C 66 31.677 31.677 31.523 0.154 19538 3865 1 7 . 1 1 66 66 LYS H H 66 8.339 8.339 8.845 -0.506 19538 3866 1 7 . 1 1 67 67 GLU N N 67 118.253 118.253 118.352 -0.099 19538 3867 1 7 . 1 1 67 67 GLU HA H 67 4.323 4.323 4.232 0.091 19538 3868 1 7 . 1 1 67 67 GLU CA C 67 56.018 56.018 56.599 -0.581 19538 3869 1 7 . 1 1 67 67 GLU CB C 67 29.587 29.587 29.783 -0.196 19538 3870 1 7 . 1 1 67 67 GLU H H 67 8.096 8.096 8.233 -0.137 19538 3871 1 7 . 1 1 68 68 GLY N N 68 107.960 107.960 106.368 1.592 19538 3872 1 7 . 1 1 68 68 GLY CA C 68 45.213 45.213 44.864 0.349 19538 3873 1 7 . 1 1 68 68 GLY H H 68 8.168 8.168 8.403 -0.235 19538 3874 1 7 . 1 1 69 69 ARG N N 69 121.436 121.436 118.885 2.551 19538 3875 1 7 . 1 1 69 69 ARG HA H 69 4.482 4.482 4.914 -0.432 19538 3876 1 7 . 1 1 69 69 ARG CA C 69 54.229 54.229 53.115 1.114 19538 3877 1 7 . 1 1 69 69 ARG CB C 69 30.399 30.399 32.992 -2.593 19538 3878 1 7 . 1 1 69 69 ARG H H 69 8.590 8.590 7.568 1.022 19538 3879 1 7 . 1 1 70 70 THR N N 70 120.709 120.709 120.987 -0.278 19538 3880 1 7 . 1 1 70 70 THR HA H 70 4.298 4.298 4.812 -0.514 19538 3881 1 7 . 1 1 70 70 THR CA C 70 64.365 64.365 63.152 1.213 19538 3882 1 7 . 1 1 70 70 THR CB C 70 68.832 68.832 68.840 -0.008 19538 3883 1 7 . 1 1 70 70 THR H H 70 8.822 8.822 8.511 0.311 19538 3884 1 7 . 1 1 71 71 HIS N N 71 127.496 127.496 126.792 0.704 19538 3885 1 7 . 1 1 71 71 HIS HA H 71 5.138 5.138 4.886 0.252 19538 3886 1 7 . 1 1 71 71 HIS CA C 71 53.948 53.948 55.114 -1.166 19538 3887 1 7 . 1 1 71 71 HIS CB C 71 31.791 31.791 31.931 -0.140 19538 3888 1 7 . 1 1 71 71 HIS H H 71 9.384 9.384 9.746 -0.362 19538 3889 1 7 . 1 1 72 72 HIS N N 72 121.684 121.684 126.731 -5.047 19538 3890 1 7 . 1 1 72 72 HIS HA H 72 5.094 5.094 4.834 0.260 19538 3891 1 7 . 1 1 72 72 HIS CA C 72 54.390 54.390 54.799 -0.409 19538 3892 1 7 . 1 1 72 72 HIS CB C 72 33.961 33.961 30.982 2.979 19538 3893 1 7 . 1 1 72 72 HIS H H 72 9.076 9.076 9.353 -0.277 19538 3894 1 7 . 1 1 73 73 TYR N N 73 121.287 121.287 126.037 -4.750 19538 3895 1 7 . 1 1 73 73 TYR HA H 73 5.305 5.305 4.965 0.340 19538 3896 1 7 . 1 1 73 73 TYR CA C 73 56.017 56.017 57.621 -1.604 19538 3897 1 7 . 1 1 73 73 TYR CB C 73 39.479 39.479 38.478 1.001 19538 3898 1 7 . 1 1 73 73 TYR H H 73 9.305 9.305 9.114 0.191 19538 3899 1 7 . 1 1 74 74 MET N N 74 124.078 124.078 125.056 -0.978 19538 3900 1 7 . 1 1 74 74 MET HA H 74 4.867 4.867 5.569 -0.702 19538 3901 1 7 . 1 1 74 74 MET CA C 74 54.701 54.701 54.589 0.112 19538 3902 1 7 . 1 1 74 74 MET CB C 74 38.007 38.007 37.029 0.978 19538 3903 1 7 . 1 1 74 74 MET H H 74 8.761 8.761 9.356 -0.595 19538 3904 1 7 . 1 1 75 75 ARG N N 75 123.962 123.962 123.908 0.054 19538 3905 1 7 . 1 1 75 75 ARG HA H 75 5.471 5.471 5.484 -0.013 19538 3906 1 7 . 1 1 75 75 ARG CA C 75 53.340 53.340 54.481 -1.141 19538 3907 1 7 . 1 1 75 75 ARG CB C 75 34.441 34.441 33.662 0.779 19538 3908 1 7 . 1 1 75 75 ARG H H 75 8.427 8.427 8.755 -0.328 19538 3909 1 7 . 1 1 76 76 PHE N N 76 114.935 114.935 115.196 -0.261 19538 3910 1 7 . 1 1 76 76 PHE HA H 76 4.621 4.621 5.184 -0.563 19538 3911 1 7 . 1 1 76 76 PHE CA C 76 55.856 55.856 56.195 -0.339 19538 3912 1 7 . 1 1 76 76 PHE CB C 76 39.167 39.167 41.392 -2.225 19538 3913 1 7 . 1 1 76 76 PHE H H 76 8.296 8.296 8.721 -0.425 19538 3914 1 7 . 1 1 77 77 HIS N N 77 117.830 117.830 119.246 -1.416 19538 3915 1 7 . 1 1 77 77 HIS HA H 77 5.451 5.451 5.570 -0.119 19538 3916 1 7 . 1 1 77 77 HIS CA C 77 54.767 54.767 55.559 -0.792 19538 3917 1 7 . 1 1 77 77 HIS CB C 77 31.102 31.102 32.440 -1.338 19538 3918 1 7 . 1 1 77 77 HIS H H 77 9.190 9.190 9.573 -0.383 19538 3919 1 7 . 1 1 78 78 VAL N N 78 114.372 114.372 116.743 -2.371 19538 3920 1 7 . 1 1 78 78 VAL HA H 78 5.110 5.110 5.016 0.094 19538 3921 1 7 . 1 1 78 78 VAL CA C 78 59.653 59.653 58.982 0.671 19538 3922 1 7 . 1 1 78 78 VAL CB C 78 35.073 35.073 35.987 -0.914 19538 3923 1 7 . 1 1 78 78 VAL H H 78 7.860 7.860 9.391 -1.531 19538 3924 1 7 . 1 1 79 79 GLU N N 79 126.076 126.076 123.598 2.478 19538 3925 1 7 . 1 1 79 79 GLU HA H 79 5.400 5.400 4.776 0.624 19538 3926 1 7 . 1 1 79 79 GLU CA C 79 54.316 54.316 55.198 -0.882 19538 3927 1 7 . 1 1 79 79 GLU CB C 79 34.060 34.060 32.053 2.006 19538 3928 1 7 . 1 1 79 79 GLU H H 79 9.213 9.213 9.253 -0.040 19538 3929 1 7 . 1 1 80 80 SER N N 80 124.627 124.627 123.942 0.685 19538 3930 1 7 . 1 1 80 80 SER HA H 80 4.892 4.892 4.579 0.313 19538 3931 1 7 . 1 1 80 80 SER CA C 80 54.930 54.930 58.043 -3.113 19538 3932 1 7 . 1 1 80 80 SER CB C 80 67.503 67.503 64.151 3.352 19538 3933 1 7 . 1 1 80 80 SER H H 80 9.464 9.464 9.248 0.216 19538 3934 1 7 . 1 1 81 81 LYS N N 81 119.240 119.240 118.393 0.847 19538 3935 1 7 . 1 1 81 81 LYS HA H 81 4.000 4.000 4.213 -0.213 19538 3936 1 7 . 1 1 81 81 LYS CA C 81 59.099 59.099 58.394 0.705 19538 3937 1 7 . 1 1 81 81 LYS CB C 81 31.721 31.721 32.314 -0.593 19538 3938 1 7 . 1 1 81 81 LYS H H 81 10.052 10.052 8.419 1.633 19538 3939 1 7 . 1 1 82 82 LYS N N 82 114.688 114.688 115.144 -0.456 19538 3940 1 7 . 1 1 82 82 LYS HA H 82 4.365 4.365 4.417 -0.052 19538 3941 1 7 . 1 1 82 82 LYS CA C 82 56.211 56.211 56.151 0.060 19538 3942 1 7 . 1 1 82 82 LYS CB C 82 36.484 36.484 35.345 1.139 19538 3943 1 7 . 1 1 82 82 LYS H H 82 7.782 7.782 8.045 -0.263 19538 3944 1 7 . 1 1 83 83 LYS N N 83 118.992 118.992 119.938 -0.946 19538 3945 1 7 . 1 1 83 83 LYS HA H 83 4.749 4.749 4.755 -0.006 19538 3946 1 7 . 1 1 83 83 LYS CA C 83 53.590 53.590 54.214 -0.624 19538 3947 1 7 . 1 1 83 83 LYS CB C 83 39.218 39.218 36.157 3.061 19538 3948 1 7 . 1 1 83 83 LYS H H 83 7.962 7.962 8.623 -0.661 19538 3949 1 7 . 1 1 84 84 ILE N N 84 118.513 118.513 120.439 -1.926 19538 3950 1 7 . 1 1 84 84 ILE HA H 84 4.556 4.556 4.747 -0.191 19538 3951 1 7 . 1 1 84 84 ILE CA C 84 60.643 60.643 60.523 0.121 19538 3952 1 7 . 1 1 84 84 ILE CB C 84 39.946 39.946 39.185 0.761 19538 3953 1 7 . 1 1 84 84 ILE H H 84 7.927 7.927 8.508 -0.581 19538 3954 1 7 . 1 1 85 85 ALA N N 85 127.327 127.327 129.669 -2.342 19538 3955 1 7 . 1 1 85 85 ALA HA H 85 5.048 5.048 5.061 -0.013 19538 3956 1 7 . 1 1 85 85 ALA CA C 85 49.316 49.316 49.619 -0.303 19538 3957 1 7 . 1 1 85 85 ALA CB C 85 24.205 24.205 23.110 1.095 19538 3958 1 7 . 1 1 85 85 ALA H H 85 9.211 9.211 9.194 0.017 19538 3959 1 7 . 1 1 86 86 LEU N N 86 122.978 122.978 122.580 0.398 19538 3960 1 7 . 1 1 86 86 LEU HA H 86 4.554 4.554 4.704 -0.150 19538 3961 1 7 . 1 1 86 86 LEU CA C 86 53.671 53.671 53.095 0.576 19538 3962 1 7 . 1 1 86 86 LEU CB C 86 44.396 44.396 45.093 -0.697 19538 3963 1 7 . 1 1 86 86 LEU H H 86 8.312 8.312 8.607 -0.295 19538 3964 1 7 . 1 1 87 87 VAL N N 87 127.511 127.511 126.196 1.315 19538 3965 1 7 . 1 1 87 87 VAL HA H 87 4.244 4.244 4.498 -0.254 19538 3966 1 7 . 1 1 87 87 VAL CA C 87 60.226 60.226 60.450 -0.224 19538 3967 1 7 . 1 1 87 87 VAL CB C 87 31.609 31.609 32.635 -1.026 19538 3968 1 7 . 1 1 87 87 VAL H H 87 9.017 9.017 9.001 0.016 19538 3969 1 7 . 1 1 88 88 HIS N N 88 124.227 124.227 127.454 -3.227 19538 3970 1 7 . 1 1 88 88 HIS HA H 88 4.687 4.687 4.829 -0.142 19538 3971 1 7 . 1 1 88 88 HIS CA C 88 54.314 54.314 53.156 1.158 19538 3972 1 7 . 1 1 88 88 HIS CB C 88 33.245 33.245 32.391 0.854 19538 3973 1 7 . 1 1 88 88 HIS H H 88 8.104 8.104 8.807 -0.703 19538 3974 1 7 . 1 1 89 89 LEU N N 89 121.992 121.992 128.593 -6.601 19538 3975 1 7 . 1 1 89 89 LEU HA H 89 5.050 5.050 4.927 0.123 19538 3976 1 7 . 1 1 89 89 LEU CA C 89 52.983 52.983 53.406 -0.423 19538 3977 1 7 . 1 1 89 89 LEU CB C 89 46.355 46.355 46.252 0.103 19538 3978 1 7 . 1 1 89 89 LEU H H 89 8.600 8.600 9.486 -0.886 19538 3979 1 7 . 1 1 90 90 GLU N N 90 121.551 121.551 125.844 -4.293 19538 3980 1 7 . 1 1 90 90 GLU HA H 90 5.253 5.253 5.693 -0.440 19538 3981 1 7 . 1 1 90 90 GLU CA C 90 53.422 53.422 54.500 -1.078 19538 3982 1 7 . 1 1 90 90 GLU CB C 90 33.238 33.238 32.920 0.318 19538 3983 1 7 . 1 1 90 90 GLU H H 90 8.816 8.816 9.329 -0.513 19538 3984 1 7 . 1 1 91 91 ALA N N 91 128.266 128.266 128.011 0.255 19538 3985 1 7 . 1 1 91 91 ALA HA H 91 5.385 5.385 5.592 -0.207 19538 3986 1 7 . 1 1 91 91 ALA CA C 91 49.164 49.164 49.823 -0.659 19538 3987 1 7 . 1 1 91 91 ALA CB C 91 23.227 23.227 23.306 -0.079 19538 3988 1 7 . 1 1 91 91 ALA H H 91 9.287 9.287 8.997 0.290 19538 3989 1 7 . 1 1 92 92 LYS N N 92 121.573 121.573 119.964 1.609 19538 3990 1 7 . 1 1 92 92 LYS HA H 92 4.884 4.884 5.395 -0.511 19538 3991 1 7 . 1 1 92 92 LYS CA C 92 54.365 54.365 53.842 0.523 19538 3992 1 7 . 1 1 92 92 LYS CB C 92 36.427 36.427 35.403 1.024 19538 3993 1 7 . 1 1 92 92 LYS H H 92 9.160 9.160 8.994 0.166 19538 3994 1 7 . 1 1 93 93 GLU N N 93 127.022 127.022 126.600 0.422 19538 3995 1 7 . 1 1 93 93 GLU HA H 93 4.145 4.145 4.253 -0.108 19538 3996 1 7 . 1 1 93 93 GLU CA C 93 56.227 56.227 56.644 -0.417 19538 3997 1 7 . 1 1 93 93 GLU CB C 93 30.986 30.986 30.265 0.721 19538 3998 1 7 . 1 1 93 93 GLU H H 93 8.525 8.525 9.230 -0.705 19538 3999 1 7 . 1 1 94 94 SER N N 94 120.676 120.676 121.202 -0.526 19538 4000 1 7 . 1 1 94 94 SER HA H 94 4.416 4.416 4.124 0.292 19538 4001 1 7 . 1 1 94 94 SER CA C 94 57.241 57.241 61.709 -4.468 19538 4002 1 7 . 1 1 94 94 SER CB C 94 63.634 63.634 63.678 -0.044 19538 4003 1 7 . 1 1 94 94 SER H H 94 8.877 8.877 8.612 0.265 19538 4004 1 7 . 1 1 95 95 LYS HA H 95 4.212 4.212 4.474 -0.262 19538 4005 1 7 . 1 1 95 95 LYS CA C 95 56.036 56.036 57.134 -1.098 19538 4006 1 7 . 1 1 95 95 LYS CB C 95 33.113 33.113 32.903 0.210 19538 4007 1 7 . 1 1 96 96 GLN N N 96 118.641 118.641 118.277 0.364 19538 4008 1 7 . 1 1 96 96 GLN HA H 96 4.140 4.140 4.324 -0.184 19538 4009 1 7 . 1 1 96 96 GLN CA C 96 56.338 56.338 55.306 1.032 19538 4010 1 7 . 1 1 96 96 GLN CB C 96 28.958 28.958 28.701 0.257 19538 4011 1 7 . 1 1 96 96 GLN H H 96 8.335 8.335 8.186 0.149 19538 4012 1 7 . 1 1 97 97 ASN N N 97 116.545 116.545 118.153 -1.608 19538 4013 1 7 . 1 1 97 97 ASN HA H 97 4.511 4.511 4.524 -0.013 19538 4014 1 7 . 1 1 97 97 ASN CA C 97 53.163 53.163 53.049 0.114 19538 4015 1 7 . 1 1 97 97 ASN CB C 97 38.370 38.370 39.178 -0.808 19538 4016 1 7 . 1 1 97 97 ASN H H 97 8.199 8.199 7.901 0.298 19538 4017 1 7 . 1 1 98 98 TYR N N 98 119.134 119.134 122.433 -3.299 19538 4018 1 7 . 1 1 98 98 TYR HA H 98 4.482 4.482 4.225 0.257 19538 4019 1 7 . 1 1 98 98 TYR CA C 98 57.458 57.458 60.188 -2.730 19538 4020 1 7 . 1 1 98 98 TYR CB C 98 38.539 38.539 38.697 -0.158 19538 4021 1 7 . 1 1 98 98 TYR H H 98 7.918 7.918 8.569 -0.651 19538 4022 1 7 . 1 1 99 99 GLN N N 99 119.975 119.975 115.964 4.011 19538 4023 1 7 . 1 1 99 99 GLN HA H 99 4.440 4.440 4.650 -0.210 19538 4024 1 7 . 1 1 99 99 GLN CA C 99 53.092 53.092 52.207 0.885 19538 4025 1 7 . 1 1 99 99 GLN CB C 99 27.891 27.891 29.244 -1.353 19538 4026 1 7 . 1 1 99 99 GLN H H 99 7.992 7.992 8.014 -0.022 19538 4027 1 7 . 1 1 100 100 PRO HA H 100 4.294 4.294 4.226 0.068 19538 4028 1 7 . 1 1 100 100 PRO CA C 100 62.415 62.415 62.099 0.316 19538 4029 1 7 . 1 1 100 100 PRO CB C 100 32.538 32.538 32.134 0.404 19538 4030 1 7 . 1 1 101 101 ASP N N 101 120.964 120.964 120.957 0.007 19538 4031 1 7 . 1 1 101 101 ASP HA H 101 4.654 4.654 4.318 0.336 19538 4032 1 7 . 1 1 101 101 ASP CA C 101 52.845 52.845 54.127 -1.282 19538 4033 1 7 . 1 1 101 101 ASP CB C 101 42.316 42.316 41.783 0.533 19538 4034 1 7 . 1 1 101 101 ASP H H 101 8.225 8.225 8.748 -0.523 19538 4035 1 7 . 1 1 102 102 PHE N N 102 122.913 122.913 124.587 -1.674 19538 4036 1 7 . 1 1 102 102 PHE HA H 102 4.642 4.642 4.515 0.127 19538 4037 1 7 . 1 1 102 102 PHE CA C 102 57.341 57.341 57.369 -0.028 19538 4038 1 7 . 1 1 102 102 PHE CB C 102 38.576 38.576 37.723 0.853 19538 4039 1 7 . 1 1 102 102 PHE H H 102 9.014 9.014 8.223 0.791 19538 4040 1 7 . 1 1 103 103 ILE N N 103 117.131 117.131 123.392 -6.261 19538 4041 1 7 . 1 1 103 103 ILE HA H 103 4.464 4.464 3.773 0.691 19538 4042 1 7 . 1 1 103 103 ILE CA C 103 60.346 60.346 64.128 -3.782 19538 4043 1 7 . 1 1 103 103 ILE CB C 103 39.243 39.243 38.648 0.595 19538 4044 1 7 . 1 1 103 103 ILE H H 103 8.765 8.765 8.502 0.263 19538 4045 1 7 . 1 1 104 104 ASN N N 104 117.264 117.264 115.587 1.677 19538 4046 1 7 . 1 1 104 104 ASN HA H 104 4.913 4.913 5.251 -0.338 19538 4047 1 7 . 1 1 104 104 ASN CA C 104 52.710 52.710 52.458 0.252 19538 4048 1 7 . 1 1 104 104 ASN CB C 104 41.361 41.361 42.499 -1.138 19538 4049 1 7 . 1 1 104 104 ASN H H 104 7.441 7.441 8.192 -0.751 19538 4050 1 7 . 1 1 105 105 MET N N 105 125.685 125.685 121.042 4.643 19538 4051 1 7 . 1 1 105 105 MET HA H 105 5.484 5.484 5.367 0.117 19538 4052 1 7 . 1 1 105 105 MET CA C 105 56.071 56.071 55.099 0.972 19538 4053 1 7 . 1 1 105 105 MET CB C 105 34.514 34.514 35.105 -0.591 19538 4054 1 7 . 1 1 105 105 MET H H 105 9.244 9.244 9.074 0.170 19538 4055 1 7 . 1 1 106 106 TYR N N 106 125.856 125.856 120.900 4.956 19538 4056 1 7 . 1 1 106 106 TYR HA H 106 5.438 5.438 5.430 0.008 19538 4057 1 7 . 1 1 106 106 TYR CA C 106 54.552 54.552 55.190 -0.638 19538 4058 1 7 . 1 1 106 106 TYR CB C 106 40.104 40.104 41.105 -1.001 19538 4059 1 7 . 1 1 106 106 TYR H H 106 8.893 8.893 8.849 0.044 19538 4060 1 7 . 1 1 107 107 VAL N N 107 117.033 117.033 120.138 -3.105 19538 4061 1 7 . 1 1 107 107 VAL HA H 107 4.957 4.957 4.557 0.400 19538 4062 1 7 . 1 1 107 107 VAL CA C 107 60.008 60.008 61.590 -1.581 19538 4063 1 7 . 1 1 107 107 VAL CB C 107 35.319 35.319 33.907 1.412 19538 4064 1 7 . 1 1 107 107 VAL H H 107 9.041 9.041 9.290 -0.249 19538 4065 1 7 . 1 1 108 108 ASP N N 108 129.995 129.995 129.617 0.378 19538 4066 1 7 . 1 1 108 108 ASP HA H 108 5.240 5.240 4.905 0.335 19538 4067 1 7 . 1 1 108 108 ASP CA C 108 52.975 52.975 52.699 0.276 19538 4068 1 7 . 1 1 108 108 ASP CB C 108 42.245 42.245 41.972 0.272 19538 4069 1 7 . 1 1 108 108 ASP H H 108 9.382 9.382 9.395 -0.013 19538 4070 1 7 . 1 1 109 109 VAL N N 109 129.641 129.641 127.400 2.241 19538 4071 1 7 . 1 1 109 109 VAL HA H 109 4.464 4.464 4.311 0.153 19538 4072 1 7 . 1 1 109 109 VAL CA C 109 58.694 58.694 59.805 -1.111 19538 4073 1 7 . 1 1 109 109 VAL CB C 109 33.061 33.061 33.003 0.058 19538 4074 1 7 . 1 1 109 109 VAL H H 109 9.181 9.181 7.850 1.331 19538 4075 1 7 . 1 1 110 110 PRO HA H 110 4.288 4.288 4.428 -0.140 19538 4076 1 7 . 1 1 110 110 PRO CA C 110 64.107 64.107 63.560 0.547 19538 4077 1 7 . 1 1 110 110 PRO CB C 110 31.557 31.557 32.141 -0.584 19538 4078 1 7 . 1 1 111 111 GLY N N 111 112.873 112.873 113.304 -0.431 19538 4079 1 7 . 1 1 111 111 GLY CA C 111 44.872 44.872 45.860 -0.988 19538 4080 1 7 . 1 1 111 111 GLY H H 111 8.839 8.839 8.721 0.118 19538 4081 1 7 . 1 1 112 112 GLU N N 112 118.157 118.157 120.832 -2.675 19538 4082 1 7 . 1 1 112 112 GLU HA H 112 4.858 4.858 4.608 0.250 19538 4083 1 7 . 1 1 112 112 GLU CA C 112 52.732 52.732 54.884 -2.152 19538 4084 1 7 . 1 1 112 112 GLU CB C 112 31.513 31.513 31.074 0.439 19538 4085 1 7 . 1 1 112 112 GLU H H 112 8.136 8.136 7.992 0.144 19538 4086 1 7 . 1 1 113 113 LYS N N 113 121.944 121.944 122.258 -0.314 19538 4087 1 7 . 1 1 113 113 LYS HA H 113 4.208 4.208 4.362 -0.154 19538 4088 1 7 . 1 1 113 113 LYS CA C 113 55.810 55.810 55.348 0.462 19538 4089 1 7 . 1 1 113 113 LYS CB C 113 32.157 32.157 32.649 -0.492 19538 4090 1 7 . 1 1 113 113 LYS H H 113 8.847 8.847 8.444 0.403 19538 4091 1 7 . 1 1 114 114 ARG N N 114 126.520 126.520 120.004 6.516 19538 4092 1 7 . 1 1 114 114 ARG HA H 114 4.064 4.064 4.437 -0.373 19538 4093 1 7 . 1 1 114 114 ARG CA C 114 57.914 57.914 55.994 1.920 19538 4094 1 7 . 1 1 114 114 ARG CB C 114 30.627 30.627 30.448 0.180 19538 4095 1 7 . 1 1 114 114 ARG H H 114 8.539 8.539 8.305 0.234 19538 4096 1 7 . 1 1 115 115 TYR N N 115 128.478 128.478 125.256 3.222 19538 4097 1 7 . 1 1 115 115 TYR HA H 115 4.671 4.671 4.695 -0.024 19538 4098 1 7 . 1 1 115 115 TYR CA C 115 56.519 56.519 56.678 -0.159 19538 4099 1 7 . 1 1 115 115 TYR CB C 115 40.193 40.193 40.990 -0.797 19538 4100 1 7 . 1 1 115 115 TYR H H 115 8.333 8.333 8.961 -0.628 19538 4101 1 7 . 1 1 116 116 TYR N N 116 127.101 127.101 127.618 -0.517 19538 4102 1 7 . 1 1 116 116 TYR HA H 116 4.553 4.553 4.738 -0.185 19538 4103 1 7 . 1 1 116 116 TYR CA C 116 58.502 58.502 57.962 0.540 19538 4104 1 7 . 1 1 116 116 TYR CB C 116 38.842 38.842 37.179 1.663 19538 4105 1 7 . 1 1 116 116 TYR H H 116 8.740 8.740 8.662 0.078 19538 4106 1 7 . 1 1 117 117 LEU N N 117 125.574 125.574 124.351 1.223 19538 4107 1 7 . 1 1 117 117 LEU HA H 117 4.394 4.394 4.347 0.047 19538 4108 1 7 . 1 1 117 117 LEU CA C 117 57.384 57.384 56.722 0.662 19538 4109 1 7 . 1 1 117 117 LEU CB C 117 43.272 43.272 42.868 0.404 19538 4110 1 7 . 1 1 117 117 LEU H H 117 8.427 8.427 8.319 0.108 19538 4111 1 7 . 1 1 118 118 ILE N N 118 118.478 118.478 118.922 -0.444 19538 4112 1 7 . 1 1 118 118 ILE HA H 118 4.199 4.199 4.275 -0.076 19538 4113 1 7 . 1 1 118 118 ILE CA C 118 60.074 60.074 60.289 -0.215 19538 4114 1 7 . 1 1 118 118 ILE CB C 118 40.895 40.895 40.009 0.886 19538 4115 1 7 . 1 1 118 118 ILE H H 118 7.983 7.983 8.272 -0.289 19538 4116 1 7 . 1 1 119 119 LYS N N 119 127.589 127.589 128.328 -0.739 19538 4117 1 7 . 1 1 119 119 LYS HA H 119 4.778 4.778 4.711 0.067 19538 4118 1 7 . 1 1 119 119 LYS CA C 119 53.232 53.232 52.554 0.678 19538 4119 1 7 . 1 1 119 119 LYS CB C 119 32.581 32.581 31.372 1.209 19538 4120 1 7 . 1 1 119 119 LYS H H 119 8.550 8.550 8.592 -0.042 19538 4121 1 7 . 1 1 120 120 PRO HA H 120 4.534 4.534 4.702 -0.168 19538 4122 1 7 . 1 1 120 120 PRO CA C 120 62.395 62.395 62.139 0.256 19538 4123 1 7 . 1 1 120 120 PRO CB C 120 32.059 32.059 32.395 -0.336 19538 4124 1 7 . 1 1 121 121 LYS N N 121 122.191 122.191 121.783 0.408 19538 4125 1 7 . 1 1 121 121 LYS HA H 121 4.136 4.136 4.117 0.019 19538 4126 1 7 . 1 1 121 121 LYS CA C 121 55.840 55.840 56.067 -0.227 19538 4127 1 7 . 1 1 121 121 LYS CB C 121 33.162 33.162 29.921 3.241 19538 4128 1 7 . 1 1 121 121 LYS H H 121 8.406 8.406 8.465 -0.059 19538 4129 1 7 . 1 1 122 122 LEU N N 122 122.972 122.972 124.943 -1.971 19538 4130 1 7 . 1 1 122 122 LEU HA H 122 4.219 4.219 4.505 -0.286 19538 4131 1 7 . 1 1 122 122 LEU CA C 122 54.494 54.494 54.343 0.151 19538 4132 1 7 . 1 1 122 122 LEU CB C 122 41.990 41.990 42.736 -0.746 19538 4133 1 7 . 1 1 122 122 LEU H H 122 8.158 8.158 7.859 0.299 19538 4134 1 7 . 1 1 123 123 HIS N N 123 121.608 121.608 124.489 -2.881 19538 4135 1 7 . 1 1 123 123 HIS HA H 123 4.776 4.776 4.836 -0.060 19538 4136 1 7 . 1 1 123 123 HIS CA C 123 53.651 53.651 54.449 -0.798 19538 4137 1 7 . 1 1 123 123 HIS CB C 123 30.145 30.145 31.289 -1.144 19538 4138 1 7 . 1 1 123 123 HIS H H 123 8.172 8.172 8.563 -0.391 19538 4139 1 7 . 1 1 124 124 PRO HA H 124 4.085 4.085 4.264 -0.179 19538 4140 1 7 . 1 1 124 124 PRO CA C 124 62.119 62.119 64.373 -2.254 19538 4141 1 7 . 1 1 124 124 PRO CB C 124 33.900 33.900 32.255 1.645 19538 4142 1 7 . 1 1 125 125 VAL N N 125 120.758 120.758 116.242 4.516 19538 4143 1 7 . 1 1 125 125 VAL HA H 125 4.085 4.085 4.309 -0.224 19538 4144 1 7 . 1 1 125 125 VAL CA C 125 61.791 61.791 61.450 0.341 19538 4145 1 7 . 1 1 125 125 VAL CB C 125 32.635 32.635 33.742 -1.107 19538 4146 1 7 . 1 1 125 125 VAL H H 125 8.361 8.361 7.717 0.644 19538 4147 1 7 . 1 1 126 126 SER N N 126 119.450 119.450 119.138 0.312 19538 4148 1 7 . 1 1 126 126 SER HA H 126 4.417 4.417 4.088 0.329 19538 4149 1 7 . 1 1 126 126 SER CA C 126 57.522 57.522 59.164 -1.642 19538 4150 1 7 . 1 1 126 126 SER CB C 126 63.634 63.634 63.458 0.176 19538 4151 1 7 . 1 1 126 126 SER H H 126 8.323 8.323 8.454 -0.131 19538 4152 1 8 . 1 1 2 2 ALA N N 2 122.815 122.815 125.419 -2.604 19538 4153 1 8 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.368 -0.075 19538 4154 1 8 . 1 1 2 2 ALA CA C 2 52.085 52.085 52.251 -0.166 19538 4155 1 8 . 1 1 2 2 ALA CB C 2 19.067 19.067 17.254 1.813 19538 4156 1 8 . 1 1 2 2 ALA H H 2 8.102 8.102 8.403 -0.301 19538 4157 1 8 . 1 1 3 3 MET N N 3 119.897 119.897 119.983 -0.086 19538 4158 1 8 . 1 1 3 3 MET HA H 3 4.401 4.401 4.399 0.002 19538 4159 1 8 . 1 1 3 3 MET CA C 3 55.339 55.339 53.198 2.141 19538 4160 1 8 . 1 1 3 3 MET CB C 3 32.938 32.938 29.274 3.664 19538 4161 1 8 . 1 1 3 3 MET H H 3 8.501 8.501 8.377 0.124 19538 4162 1 8 . 1 1 4 4 GLY N N 4 110.174 110.174 108.153 2.021 19538 4163 1 8 . 1 1 4 4 GLY CA C 4 44.706 44.706 45.594 -0.888 19538 4164 1 8 . 1 1 4 4 GLY H H 4 8.498 8.498 8.834 -0.336 19538 4165 1 8 . 1 1 5 5 SER HA H 5 4.368 4.368 4.360 0.008 19538 4166 1 8 . 1 1 5 5 SER CA C 5 58.467 58.467 57.791 0.676 19538 4167 1 8 . 1 1 5 5 SER CB C 5 63.530 63.530 61.465 2.064 19538 4168 1 8 . 1 1 6 6 GLY CA C 6 45.983 45.983 47.422 -1.439 19538 4169 1 8 . 1 1 7 7 ASP N N 7 122.649 122.649 120.694 1.955 19538 4170 1 8 . 1 1 7 7 ASP HA H 7 4.375 4.375 4.531 -0.156 19538 4171 1 8 . 1 1 7 7 ASP CA C 7 56.523 56.523 57.326 -0.803 19538 4172 1 8 . 1 1 7 7 ASP CB C 7 40.235 40.235 39.826 0.409 19538 4173 1 8 . 1 1 7 7 ASP H H 7 8.457 8.457 8.683 -0.226 19538 4174 1 8 . 1 1 8 8 THR N N 8 116.751 116.751 117.618 -0.867 19538 4175 1 8 . 1 1 8 8 THR HA H 8 3.853 3.853 3.961 -0.108 19538 4176 1 8 . 1 1 8 8 THR CA C 8 66.104 66.104 66.980 -0.876 19538 4177 1 8 . 1 1 8 8 THR CB C 8 68.047 68.047 68.639 -0.592 19538 4178 1 8 . 1 1 8 8 THR H H 8 8.128 8.128 8.126 0.002 19538 4179 1 8 . 1 1 9 9 GLN N N 9 120.186 120.186 121.313 -1.127 19538 4180 1 8 . 1 1 9 9 GLN HA H 9 4.038 4.038 4.137 -0.099 19538 4181 1 8 . 1 1 9 9 GLN CA C 9 58.699 58.699 59.402 -0.703 19538 4182 1 8 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.744 -0.644 19538 4183 1 8 . 1 1 9 9 GLN H H 9 7.831 7.831 8.687 -0.856 19538 4184 1 8 . 1 1 10 10 LEU N N 10 120.735 120.735 120.413 0.322 19538 4185 1 8 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.094 -0.177 19538 4186 1 8 . 1 1 10 10 LEU CA C 10 58.126 58.126 58.342 -0.216 19538 4187 1 8 . 1 1 10 10 LEU CB C 10 41.935 41.935 41.748 0.187 19538 4188 1 8 . 1 1 10 10 LEU H H 10 7.670 7.670 9.205 -1.535 19538 4189 1 8 . 1 1 11 11 PHE N N 11 117.802 117.802 120.495 -2.693 19538 4190 1 8 . 1 1 11 11 PHE HA H 11 3.821 3.821 3.763 0.058 19538 4191 1 8 . 1 1 11 11 PHE CA C 11 60.224 60.224 62.148 -1.924 19538 4192 1 8 . 1 1 11 11 PHE CB C 11 38.798 38.798 38.737 0.061 19538 4193 1 8 . 1 1 11 11 PHE H H 11 7.939 7.939 9.280 -1.341 19538 4194 1 8 . 1 1 12 12 ASN N N 12 117.152 117.152 118.078 -0.926 19538 4195 1 8 . 1 1 12 12 ASN HA H 12 3.868 3.868 4.160 -0.292 19538 4196 1 8 . 1 1 12 12 ASN CA C 12 55.410 55.410 56.678 -1.268 19538 4197 1 8 . 1 1 12 12 ASN CB C 12 37.188 37.188 38.081 -0.893 19538 4198 1 8 . 1 1 12 12 ASN H H 12 8.562 8.562 8.382 0.180 19538 4199 1 8 . 1 1 13 13 ARG N N 13 119.825 119.825 120.783 -0.958 19538 4200 1 8 . 1 1 13 13 ARG HA H 13 3.914 3.914 4.018 -0.104 19538 4201 1 8 . 1 1 13 13 ARG CA C 13 58.623 58.623 59.578 -0.955 19538 4202 1 8 . 1 1 13 13 ARG CB C 13 31.719 31.719 30.222 1.497 19538 4203 1 8 . 1 1 13 13 ARG H H 13 8.006 8.006 8.612 -0.606 19538 4204 1 8 . 1 1 14 14 ALA N N 14 122.749 122.749 123.336 -0.587 19538 4205 1 8 . 1 1 14 14 ALA HA H 14 3.938 3.938 4.063 -0.125 19538 4206 1 8 . 1 1 14 14 ALA CA C 14 54.976 54.976 55.199 -0.223 19538 4207 1 8 . 1 1 14 14 ALA CB C 14 19.446 19.446 18.424 1.022 19538 4208 1 8 . 1 1 14 14 ALA H H 14 8.163 8.163 8.858 -0.695 19538 4209 1 8 . 1 1 15 15 VAL N N 15 118.460 118.460 118.705 -0.245 19538 4210 1 8 . 1 1 15 15 VAL HA H 15 3.219 3.219 3.660 -0.441 19538 4211 1 8 . 1 1 15 15 VAL CA C 15 66.611 66.611 65.426 1.185 19538 4212 1 8 . 1 1 15 15 VAL CB C 15 30.889 30.889 30.522 0.367 19538 4213 1 8 . 1 1 15 15 VAL H H 15 8.718 8.718 8.581 0.137 19538 4214 1 8 . 1 1 16 16 SER N N 16 113.102 113.102 116.014 -2.912 19538 4215 1 8 . 1 1 16 16 SER HA H 16 4.144 4.144 4.153 -0.009 19538 4216 1 8 . 1 1 16 16 SER CA C 16 60.888 60.888 61.307 -0.419 19538 4217 1 8 . 1 1 16 16 SER CB C 16 62.503 62.503 62.865 -0.362 19538 4218 1 8 . 1 1 16 16 SER H H 16 7.243 7.243 8.183 -0.940 19538 4219 1 8 . 1 1 17 17 MET N N 17 117.447 117.447 119.788 -2.341 19538 4220 1 8 . 1 1 17 17 MET HA H 17 3.875 3.875 4.051 -0.176 19538 4221 1 8 . 1 1 17 17 MET CA C 17 58.575 58.575 59.119 -0.544 19538 4222 1 8 . 1 1 17 17 MET CB C 17 33.489 33.489 32.956 0.533 19538 4223 1 8 . 1 1 17 17 MET H H 17 7.232 7.232 8.007 -0.775 19538 4224 1 8 . 1 1 18 18 VAL N N 18 117.842 117.842 114.224 3.618 19538 4225 1 8 . 1 1 18 18 VAL HA H 18 3.357 3.357 3.854 -0.497 19538 4226 1 8 . 1 1 18 18 VAL CA C 18 66.065 66.065 65.385 0.680 19538 4227 1 8 . 1 1 18 18 VAL CB C 18 31.686 31.686 31.451 0.235 19538 4228 1 8 . 1 1 18 18 VAL H H 18 7.678 7.678 8.237 -0.559 19538 4229 1 8 . 1 1 19 19 GLU N N 19 113.150 113.150 120.512 -7.362 19538 4230 1 8 . 1 1 19 19 GLU HA H 19 3.618 3.618 3.958 -0.340 19538 4231 1 8 . 1 1 19 19 GLU CA C 19 58.198 58.198 59.966 -1.768 19538 4232 1 8 . 1 1 19 19 GLU CB C 19 29.786 29.786 29.467 0.319 19538 4233 1 8 . 1 1 19 19 GLU H H 19 8.378 8.378 8.678 -0.300 19538 4234 1 8 . 1 1 20 20 LYS N N 20 114.076 114.076 114.045 0.031 19538 4235 1 8 . 1 1 20 20 LYS HA H 20 4.243 4.243 4.421 -0.178 19538 4236 1 8 . 1 1 20 20 LYS CA C 20 55.725 55.725 54.804 0.921 19538 4237 1 8 . 1 1 20 20 LYS CB C 20 33.032 33.032 32.230 0.802 19538 4238 1 8 . 1 1 20 20 LYS H H 20 7.072 7.072 7.557 -0.485 19538 4239 1 8 . 1 1 21 21 ASN N N 21 121.025 121.025 121.206 -0.181 19538 4240 1 8 . 1 1 21 21 ASN HA H 21 4.555 4.555 4.566 -0.011 19538 4241 1 8 . 1 1 21 21 ASN CA C 21 53.766 53.766 52.920 0.846 19538 4242 1 8 . 1 1 21 21 ASN CB C 21 39.835 39.835 39.193 0.642 19538 4243 1 8 . 1 1 21 21 ASN H H 21 7.230 7.230 7.525 -0.295 19538 4244 1 8 . 1 1 22 22 LYS N N 22 128.112 128.112 127.369 0.743 19538 4245 1 8 . 1 1 22 22 LYS HA H 22 3.698 3.698 3.921 -0.223 19538 4246 1 8 . 1 1 22 22 LYS CA C 22 59.519 59.519 59.654 -0.135 19538 4247 1 8 . 1 1 22 22 LYS CB C 22 32.140 32.140 31.407 0.733 19538 4248 1 8 . 1 1 22 22 LYS H H 22 8.846 8.846 8.778 0.068 19538 4249 1 8 . 1 1 23 23 ASP N N 23 120.250 120.250 120.871 -0.621 19538 4250 1 8 . 1 1 23 23 ASP HA H 23 4.297 4.297 4.399 -0.102 19538 4251 1 8 . 1 1 23 23 ASP CA C 23 56.787 56.787 57.305 -0.518 19538 4252 1 8 . 1 1 23 23 ASP CB C 23 39.444 39.444 40.754 -1.310 19538 4253 1 8 . 1 1 23 23 ASP H H 23 7.731 7.731 7.788 -0.057 19538 4254 1 8 . 1 1 24 24 ILE N N 24 121.988 121.988 121.052 0.936 19538 4255 1 8 . 1 1 24 24 ILE HA H 24 3.219 3.219 3.313 -0.094 19538 4256 1 8 . 1 1 24 24 ILE CA C 24 63.375 63.375 65.406 -2.030 19538 4257 1 8 . 1 1 24 24 ILE CB C 24 35.424 35.424 37.549 -2.125 19538 4258 1 8 . 1 1 24 24 ILE H H 24 8.431 8.431 8.198 0.233 19538 4259 1 8 . 1 1 25 25 ARG N N 25 118.181 118.181 119.941 -1.760 19538 4260 1 8 . 1 1 25 25 ARG HA H 25 3.810 3.810 3.808 0.002 19538 4261 1 8 . 1 1 25 25 ARG CA C 25 60.546 60.546 60.566 -0.020 19538 4262 1 8 . 1 1 25 25 ARG CB C 25 30.205 30.205 29.862 0.343 19538 4263 1 8 . 1 1 25 25 ARG H H 25 8.206 8.206 8.882 -0.676 19538 4264 1 8 . 1 1 26 26 SER N N 26 112.549 112.549 115.695 -3.146 19538 4265 1 8 . 1 1 26 26 SER HA H 26 4.373 4.373 4.139 0.234 19538 4266 1 8 . 1 1 26 26 SER CA C 26 61.040 61.040 61.640 -0.600 19538 4267 1 8 . 1 1 26 26 SER CB C 26 62.096 62.096 62.923 -0.827 19538 4268 1 8 . 1 1 26 26 SER H H 26 7.518 7.518 8.010 -0.492 19538 4269 1 8 . 1 1 27 27 LEU N N 27 125.275 125.275 122.847 2.428 19538 4270 1 8 . 1 1 27 27 LEU HA H 27 4.013 4.013 4.055 -0.042 19538 4271 1 8 . 1 1 27 27 LEU CA C 27 57.652 57.652 57.510 0.143 19538 4272 1 8 . 1 1 27 27 LEU CB C 27 42.548 42.548 42.096 0.452 19538 4273 1 8 . 1 1 27 27 LEU H H 27 8.050 8.050 7.510 0.540 19538 4274 1 8 . 1 1 28 28 LEU N N 28 114.725 114.725 113.692 1.033 19538 4275 1 8 . 1 1 28 28 LEU HA H 28 3.863 3.863 4.218 -0.355 19538 4276 1 8 . 1 1 28 28 LEU CA C 28 54.299 54.299 54.863 -0.564 19538 4277 1 8 . 1 1 28 28 LEU CB C 28 42.874 42.874 41.672 1.202 19538 4278 1 8 . 1 1 28 28 LEU H H 28 8.010 8.010 8.288 -0.278 19538 4279 1 8 . 1 1 29 29 GLN N N 29 116.444 116.444 114.717 1.727 19538 4280 1 8 . 1 1 29 29 GLN HA H 29 3.854 3.854 3.986 -0.132 19538 4281 1 8 . 1 1 29 29 GLN CA C 29 55.652 55.652 56.766 -1.114 19538 4282 1 8 . 1 1 29 29 GLN CB C 29 25.300 25.300 25.393 -0.093 19538 4283 1 8 . 1 1 29 29 GLN H H 29 7.972 7.972 8.300 -0.328 19538 4284 1 8 . 1 1 30 30 CYS N N 30 116.363 116.363 118.621 -2.258 19538 4285 1 8 . 1 1 30 30 CYS HA H 30 4.133 4.133 4.144 -0.011 19538 4286 1 8 . 1 1 30 30 CYS CA C 30 61.559 61.559 60.148 1.411 19538 4287 1 8 . 1 1 30 30 CYS CB C 30 27.701 27.701 25.798 1.903 19538 4288 1 8 . 1 1 30 30 CYS H H 30 7.847 7.847 8.696 -0.849 19538 4289 1 8 . 1 1 31 31 ASP N N 31 125.091 125.091 120.935 4.156 19538 4290 1 8 . 1 1 31 31 ASP HA H 31 4.598 4.598 4.453 0.145 19538 4291 1 8 . 1 1 31 31 ASP CA C 31 52.428 52.428 55.058 -2.630 19538 4292 1 8 . 1 1 31 31 ASP CB C 31 39.156 39.156 42.210 -3.054 19538 4293 1 8 . 1 1 31 31 ASP H H 31 9.918 9.918 8.056 1.862 19538 4294 1 8 . 1 1 32 32 ASP N N 32 124.593 124.593 126.695 -2.102 19538 4295 1 8 . 1 1 32 32 ASP HA H 32 5.131 5.131 4.655 0.476 19538 4296 1 8 . 1 1 32 32 ASP CA C 32 52.190 52.190 54.405 -2.215 19538 4297 1 8 . 1 1 32 32 ASP CB C 32 41.542 41.542 40.323 1.219 19538 4298 1 8 . 1 1 32 32 ASP H H 32 7.532 7.532 8.400 -0.868 19538 4299 1 8 . 1 1 33 33 GLY N N 33 109.888 109.888 113.192 -3.304 19538 4300 1 8 . 1 1 33 33 GLY CA C 33 44.840 44.840 45.176 -0.336 19538 4301 1 8 . 1 1 33 33 GLY H H 33 7.912 7.912 9.141 -1.229 19538 4302 1 8 . 1 1 34 34 ILE HA H 34 3.978 3.978 3.940 0.038 19538 4303 1 8 . 1 1 34 34 ILE CA C 34 63.210 63.210 64.109 -0.899 19538 4304 1 8 . 1 1 34 34 ILE CB C 34 38.027 38.027 38.578 -0.551 19538 4305 1 8 . 1 1 35 35 THR N N 35 109.823 109.823 112.819 -2.996 19538 4306 1 8 . 1 1 35 35 THR HA H 35 4.291 4.291 4.449 -0.158 19538 4307 1 8 . 1 1 35 35 THR CA C 35 61.511 61.511 61.102 0.409 19538 4308 1 8 . 1 1 35 35 THR CB C 35 68.374 68.374 68.547 -0.173 19538 4309 1 8 . 1 1 35 35 THR H H 35 7.995 7.995 8.037 -0.042 19538 4310 1 8 . 1 1 36 36 GLY N N 36 109.916 109.916 110.510 -0.594 19538 4311 1 8 . 1 1 36 36 GLY CA C 36 44.282 44.282 45.108 -0.826 19538 4312 1 8 . 1 1 36 36 GLY H H 36 7.564 7.564 7.486 0.078 19538 4313 1 8 . 1 1 37 37 LYS N N 37 119.833 119.833 122.583 -2.750 19538 4314 1 8 . 1 1 37 37 LYS HA H 37 4.442 4.442 4.575 -0.133 19538 4315 1 8 . 1 1 37 37 LYS CA C 37 54.520 54.520 54.969 -0.449 19538 4316 1 8 . 1 1 37 37 LYS CB C 37 33.208 33.208 34.000 -0.792 19538 4317 1 8 . 1 1 37 37 LYS H H 37 8.236 8.236 8.218 0.018 19538 4318 1 8 . 1 1 38 38 GLU N N 38 125.697 125.697 124.121 1.576 19538 4319 1 8 . 1 1 38 38 GLU HA H 38 3.907 3.907 4.317 -0.410 19538 4320 1 8 . 1 1 38 38 GLU CA C 38 56.731 56.731 55.996 0.735 19538 4321 1 8 . 1 1 38 38 GLU CB C 38 29.779 29.779 30.785 -1.006 19538 4322 1 8 . 1 1 38 38 GLU H H 38 8.175 8.175 8.710 -0.535 19538 4323 1 8 . 1 1 39 39 ARG N N 39 128.738 128.738 124.075 4.663 19538 4324 1 8 . 1 1 39 39 ARG HA H 39 4.260 4.260 4.555 -0.295 19538 4325 1 8 . 1 1 39 39 ARG CA C 39 55.343 55.343 54.234 1.109 19538 4326 1 8 . 1 1 39 39 ARG CB C 39 29.529 29.529 28.739 0.790 19538 4327 1 8 . 1 1 39 39 ARG H H 39 8.920 8.920 8.613 0.307 19538 4328 1 8 . 1 1 40 40 LEU N N 40 127.659 127.659 125.665 1.994 19538 4329 1 8 . 1 1 40 40 LEU HA H 40 4.488 4.488 4.338 0.150 19538 4330 1 8 . 1 1 40 40 LEU CA C 40 53.848 53.848 56.425 -2.577 19538 4331 1 8 . 1 1 40 40 LEU CB C 40 42.333 42.333 41.937 0.396 19538 4332 1 8 . 1 1 40 40 LEU H H 40 8.670 8.670 8.446 0.224 19538 4333 1 8 . 1 1 41 41 LYS N N 41 121.136 121.136 123.980 -2.844 19538 4334 1 8 . 1 1 41 41 LYS HA H 41 4.647 4.647 4.675 -0.028 19538 4335 1 8 . 1 1 41 41 LYS CA C 41 55.062 55.062 54.688 0.374 19538 4336 1 8 . 1 1 41 41 LYS CB C 41 35.064 35.064 35.143 -0.079 19538 4337 1 8 . 1 1 41 41 LYS H H 41 8.273 8.273 8.066 0.207 19538 4338 1 8 . 1 1 42 42 ALA N N 42 123.758 123.758 125.320 -1.562 19538 4339 1 8 . 1 1 42 42 ALA HA H 42 5.605 5.605 5.457 0.148 19538 4340 1 8 . 1 1 42 42 ALA CA C 42 50.529 50.529 51.462 -0.933 19538 4341 1 8 . 1 1 42 42 ALA CB C 42 22.577 22.577 21.940 0.637 19538 4342 1 8 . 1 1 42 42 ALA H H 42 8.488 8.488 8.606 -0.118 19538 4343 1 8 . 1 1 43 43 TYR N N 43 116.716 116.716 120.023 -3.307 19538 4344 1 8 . 1 1 43 43 TYR HA H 43 4.758 4.758 4.766 -0.008 19538 4345 1 8 . 1 1 43 43 TYR CA C 43 55.975 55.975 56.007 -0.032 19538 4346 1 8 . 1 1 43 43 TYR CB C 43 38.409 38.409 39.477 -1.068 19538 4347 1 8 . 1 1 43 43 TYR H H 43 8.123 8.123 9.181 -1.058 19538 4348 1 8 . 1 1 44 44 GLY N N 44 106.591 106.591 106.615 -0.024 19538 4349 1 8 . 1 1 44 44 GLY CA C 44 45.172 45.172 44.827 0.345 19538 4350 1 8 . 1 1 44 44 GLY H H 44 8.663 8.663 8.567 0.096 19538 4351 1 8 . 1 1 45 45 GLU N N 45 118.850 118.850 122.157 -3.307 19538 4352 1 8 . 1 1 45 45 GLU HA H 45 4.310 4.310 4.277 0.033 19538 4353 1 8 . 1 1 45 45 GLU CA C 45 56.286 56.286 57.780 -1.494 19538 4354 1 8 . 1 1 45 45 GLU CB C 45 31.304 31.304 30.097 1.207 19538 4355 1 8 . 1 1 45 45 GLU H H 45 8.287 8.287 8.081 0.206 19538 4356 1 8 . 1 1 46 46 LEU N N 46 124.692 124.692 122.817 1.875 19538 4357 1 8 . 1 1 46 46 LEU HA H 46 4.361 4.361 4.349 0.012 19538 4358 1 8 . 1 1 46 46 LEU CA C 46 54.967 54.967 58.591 -3.624 19538 4359 1 8 . 1 1 46 46 LEU CB C 46 41.980 41.980 40.784 1.196 19538 4360 1 8 . 1 1 46 46 LEU H H 46 9.010 9.010 9.216 -0.206 19538 4361 1 8 . 1 1 47 47 ILE N N 47 123.302 123.302 111.821 11.481 19538 4362 1 8 . 1 1 47 47 ILE HA H 47 4.272 4.272 4.043 0.229 19538 4363 1 8 . 1 1 47 47 ILE CA C 47 60.399 60.399 63.208 -2.809 19538 4364 1 8 . 1 1 47 47 ILE CB C 47 38.676 38.676 36.930 1.746 19538 4365 1 8 . 1 1 47 47 ILE H H 47 8.407 8.407 8.053 0.354 19538 4366 1 8 . 1 1 48 48 THR N N 48 117.749 117.749 119.176 -1.427 19538 4367 1 8 . 1 1 48 48 THR HA H 48 4.330 4.330 4.083 0.247 19538 4368 1 8 . 1 1 48 48 THR CA C 48 61.234 61.234 66.059 -4.825 19538 4369 1 8 . 1 1 48 48 THR CB C 48 69.327 69.327 68.198 1.129 19538 4370 1 8 . 1 1 48 48 THR H H 48 8.183 8.183 7.472 0.711 19538 4371 1 8 . 1 1 49 49 ASN N N 49 120.102 120.102 117.388 2.714 19538 4372 1 8 . 1 1 49 49 ASN HA H 49 4.585 4.585 4.525 0.060 19538 4373 1 8 . 1 1 49 49 ASN CA C 49 53.193 53.193 53.962 -0.769 19538 4374 1 8 . 1 1 49 49 ASN CB C 49 38.261 38.261 38.524 -0.263 19538 4375 1 8 . 1 1 49 49 ASN H H 49 8.418 8.418 8.056 0.362 19538 4376 1 8 . 1 1 50 50 ASP N N 50 119.783 119.783 119.348 0.435 19538 4377 1 8 . 1 1 50 50 ASP HA H 50 4.454 4.454 4.496 -0.042 19538 4378 1 8 . 1 1 50 50 ASP CA C 50 53.950 53.950 56.566 -2.616 19538 4379 1 8 . 1 1 50 50 ASP CB C 50 41.231 41.231 41.615 -0.384 19538 4380 1 8 . 1 1 50 50 ASP H H 50 8.096 8.096 7.857 0.239 19538 4381 1 8 . 1 1 51 51 LYS N N 51 120.547 120.547 117.567 2.980 19538 4382 1 8 . 1 1 51 51 LYS HA H 51 4.017 4.017 4.436 -0.419 19538 4383 1 8 . 1 1 51 51 LYS CA C 51 56.633 56.633 57.021 -0.388 19538 4384 1 8 . 1 1 51 51 LYS CB C 51 32.052 32.052 33.929 -1.877 19538 4385 1 8 . 1 1 51 51 LYS H H 51 8.173 8.173 7.492 0.681 19538 4386 1 8 . 1 1 52 52 TRP N N 52 120.062 120.062 119.368 0.694 19538 4387 1 8 . 1 1 52 52 TRP HA H 52 4.617 4.617 4.821 -0.204 19538 4388 1 8 . 1 1 52 52 TRP CA C 52 57.045 57.045 58.785 -1.740 19538 4389 1 8 . 1 1 52 52 TRP CB C 52 29.251 29.251 30.815 -1.564 19538 4390 1 8 . 1 1 52 52 TRP H H 52 8.094 8.094 8.608 -0.514 19538 4391 1 8 . 1 1 53 53 THR N N 53 115.770 115.770 117.402 -1.632 19538 4392 1 8 . 1 1 53 53 THR HA H 53 4.262 4.262 4.032 0.230 19538 4393 1 8 . 1 1 53 53 THR CA C 53 61.625 61.625 64.255 -2.630 19538 4394 1 8 . 1 1 53 53 THR CB C 53 69.153 69.153 66.972 2.182 19538 4395 1 8 . 1 1 53 53 THR H H 53 7.789 7.789 8.656 -0.867 19538 4396 1 8 . 1 1 54 54 ARG N N 54 122.136 122.136 121.080 1.056 19538 4397 1 8 . 1 1 54 54 ARG HA H 54 4.133 4.133 3.707 0.426 19538 4398 1 8 . 1 1 54 54 ARG CA C 54 56.038 56.038 57.489 -1.451 19538 4399 1 8 . 1 1 54 54 ARG CB C 54 30.441 30.441 28.422 2.019 19538 4400 1 8 . 1 1 54 54 ARG H H 54 8.191 8.191 8.423 -0.232 19538 4401 1 8 . 1 1 55 55 ASN N N 55 117.842 117.842 118.196 -0.354 19538 4402 1 8 . 1 1 55 55 ASN HA H 55 4.713 4.713 4.416 0.297 19538 4403 1 8 . 1 1 55 55 ASN CA C 55 52.873 52.873 55.588 -2.715 19538 4404 1 8 . 1 1 55 55 ASN CB C 55 38.769 38.769 38.765 0.004 19538 4405 1 8 . 1 1 55 55 ASN H H 55 8.205 8.205 8.503 -0.298 19538 4406 1 8 . 1 1 56 56 ARG N N 56 121.615 121.615 118.664 2.951 19538 4407 1 8 . 1 1 56 56 ARG HA H 56 4.542 4.542 4.818 -0.276 19538 4408 1 8 . 1 1 56 56 ARG CA C 56 53.765 53.765 53.267 0.498 19538 4409 1 8 . 1 1 56 56 ARG CB C 56 30.009 30.009 30.213 -0.204 19538 4410 1 8 . 1 1 56 56 ARG H H 56 8.246 8.246 8.330 -0.084 19538 4411 1 8 . 1 1 57 57 PRO HA H 57 4.273 4.273 4.680 -0.407 19538 4412 1 8 . 1 1 57 57 PRO CA C 57 62.424 62.424 61.028 1.396 19538 4413 1 8 . 1 1 57 57 PRO CB C 57 31.987 31.987 32.919 -0.932 19538 4414 1 8 . 1 1 58 58 ILE N N 58 122.700 122.700 120.349 2.351 19538 4415 1 8 . 1 1 58 58 ILE HA H 58 4.089 4.089 3.978 0.111 19538 4416 1 8 . 1 1 58 58 ILE CA C 58 60.655 60.655 62.250 -1.595 19538 4417 1 8 . 1 1 58 58 ILE CB C 58 37.111 37.111 35.655 1.456 19538 4418 1 8 . 1 1 58 58 ILE H H 58 8.098 8.098 8.204 -0.106 19538 4419 1 8 . 1 1 59 59 VAL N N 59 124.097 124.097 118.590 5.507 19538 4420 1 8 . 1 1 59 59 VAL HA H 59 4.549 4.549 4.708 -0.159 19538 4421 1 8 . 1 1 59 59 VAL CA C 59 59.613 59.613 58.858 0.755 19538 4422 1 8 . 1 1 59 59 VAL CB C 59 34.980 34.980 35.544 -0.564 19538 4423 1 8 . 1 1 59 59 VAL H H 59 8.167 8.167 8.461 -0.294 19538 4424 1 8 . 1 1 60 60 SER N N 60 119.752 119.752 117.883 1.869 19538 4425 1 8 . 1 1 60 60 SER HA H 60 5.136 5.136 5.021 0.115 19538 4426 1 8 . 1 1 60 60 SER CA C 60 56.467 56.467 57.083 -0.616 19538 4427 1 8 . 1 1 60 60 SER CB C 60 64.890 64.890 63.846 1.044 19538 4428 1 8 . 1 1 60 60 SER H H 60 8.592 8.592 8.181 0.411 19538 4429 1 8 . 1 1 61 61 THR N N 61 117.559 117.559 119.055 -1.496 19538 4430 1 8 . 1 1 61 61 THR HA H 61 4.576 4.576 4.247 0.329 19538 4431 1 8 . 1 1 61 61 THR CA C 61 61.348 61.348 62.507 -1.159 19538 4432 1 8 . 1 1 61 61 THR CB C 61 70.276 70.276 69.332 0.944 19538 4433 1 8 . 1 1 61 61 THR H H 61 9.214 9.214 8.963 0.251 19538 4434 1 8 . 1 1 62 62 LYS N N 62 123.743 123.743 127.653 -3.910 19538 4435 1 8 . 1 1 62 62 LYS HA H 62 5.507 5.507 4.628 0.879 19538 4436 1 8 . 1 1 62 62 LYS CA C 62 54.843 54.843 55.243 -0.400 19538 4437 1 8 . 1 1 62 62 LYS CB C 62 35.211 35.211 32.043 3.168 19538 4438 1 8 . 1 1 62 62 LYS H H 62 8.687 8.687 8.489 0.198 19538 4439 1 8 . 1 1 63 63 LYS N N 63 121.218 121.218 126.357 -5.139 19538 4440 1 8 . 1 1 63 63 LYS HA H 63 4.595 4.595 4.667 -0.072 19538 4441 1 8 . 1 1 63 63 LYS CA C 63 54.760 54.760 54.677 0.083 19538 4442 1 8 . 1 1 63 63 LYS CB C 63 36.712 36.712 33.714 2.998 19538 4443 1 8 . 1 1 63 63 LYS H H 63 8.797 8.797 8.925 -0.128 19538 4444 1 8 . 1 1 64 64 LEU N N 64 124.605 124.605 128.324 -3.719 19538 4445 1 8 . 1 1 64 64 LEU HA H 64 4.920 4.920 4.965 -0.045 19538 4446 1 8 . 1 1 64 64 LEU CA C 64 53.797 53.797 54.195 -0.398 19538 4447 1 8 . 1 1 64 64 LEU CB C 64 43.553 43.553 43.674 -0.121 19538 4448 1 8 . 1 1 64 64 LEU H H 64 8.604 8.604 8.713 -0.109 19538 4449 1 8 . 1 1 65 65 ASP N N 65 122.577 122.577 126.501 -3.924 19538 4450 1 8 . 1 1 65 65 ASP HA H 65 4.664 4.664 5.044 -0.380 19538 4451 1 8 . 1 1 65 65 ASP CA C 65 51.824 51.824 52.656 -0.832 19538 4452 1 8 . 1 1 65 65 ASP CB C 65 41.277 41.277 43.286 -2.009 19538 4453 1 8 . 1 1 65 65 ASP H H 65 8.455 8.455 8.583 -0.128 19538 4454 1 8 . 1 1 66 66 LYS N N 66 117.718 117.718 119.143 -1.425 19538 4455 1 8 . 1 1 66 66 LYS HA H 66 4.052 4.052 4.018 0.034 19538 4456 1 8 . 1 1 66 66 LYS CA C 66 58.116 58.116 58.711 -0.595 19538 4457 1 8 . 1 1 66 66 LYS CB C 66 31.677 31.677 32.037 -0.360 19538 4458 1 8 . 1 1 66 66 LYS H H 66 8.339 8.339 8.651 -0.312 19538 4459 1 8 . 1 1 67 67 GLU N N 67 118.253 118.253 118.677 -0.424 19538 4460 1 8 . 1 1 67 67 GLU HA H 67 4.323 4.323 4.159 0.164 19538 4461 1 8 . 1 1 67 67 GLU CA C 67 56.018 56.018 57.013 -0.995 19538 4462 1 8 . 1 1 67 67 GLU CB C 67 29.587 29.587 29.131 0.456 19538 4463 1 8 . 1 1 67 67 GLU H H 67 8.096 8.096 7.778 0.318 19538 4464 1 8 . 1 1 68 68 GLY N N 68 107.960 107.960 107.234 0.726 19538 4465 1 8 . 1 1 68 68 GLY CA C 68 45.213 45.213 45.780 -0.567 19538 4466 1 8 . 1 1 68 68 GLY H H 68 8.168 8.168 8.756 -0.588 19538 4467 1 8 . 1 1 69 69 ARG N N 69 121.436 121.436 118.886 2.550 19538 4468 1 8 . 1 1 69 69 ARG HA H 69 4.482 4.482 5.182 -0.700 19538 4469 1 8 . 1 1 69 69 ARG CA C 69 54.229 54.229 52.987 1.242 19538 4470 1 8 . 1 1 69 69 ARG CB C 69 30.399 30.399 32.491 -2.092 19538 4471 1 8 . 1 1 69 69 ARG H H 69 8.590 8.590 7.635 0.955 19538 4472 1 8 . 1 1 70 70 THR N N 70 120.709 120.709 120.903 -0.194 19538 4473 1 8 . 1 1 70 70 THR HA H 70 4.298 4.298 4.604 -0.306 19538 4474 1 8 . 1 1 70 70 THR CA C 70 64.365 64.365 62.112 2.253 19538 4475 1 8 . 1 1 70 70 THR CB C 70 68.832 68.832 68.427 0.405 19538 4476 1 8 . 1 1 70 70 THR H H 70 8.822 8.822 8.406 0.416 19538 4477 1 8 . 1 1 71 71 HIS N N 71 127.496 127.496 127.303 0.193 19538 4478 1 8 . 1 1 71 71 HIS HA H 71 5.138 5.138 4.757 0.381 19538 4479 1 8 . 1 1 71 71 HIS CA C 71 53.948 53.948 55.705 -1.757 19538 4480 1 8 . 1 1 71 71 HIS CB C 71 31.791 31.791 31.558 0.233 19538 4481 1 8 . 1 1 71 71 HIS H H 71 9.384 9.384 9.719 -0.335 19538 4482 1 8 . 1 1 72 72 HIS N N 72 121.684 121.684 127.218 -5.534 19538 4483 1 8 . 1 1 72 72 HIS HA H 72 5.094 5.094 4.945 0.149 19538 4484 1 8 . 1 1 72 72 HIS CA C 72 54.390 54.390 54.589 -0.199 19538 4485 1 8 . 1 1 72 72 HIS CB C 72 33.961 33.961 30.710 3.251 19538 4486 1 8 . 1 1 72 72 HIS H H 72 9.076 9.076 9.406 -0.330 19538 4487 1 8 . 1 1 73 73 TYR N N 73 121.287 121.287 125.433 -4.146 19538 4488 1 8 . 1 1 73 73 TYR HA H 73 5.305 5.305 4.974 0.331 19538 4489 1 8 . 1 1 73 73 TYR CA C 73 56.017 56.017 57.615 -1.598 19538 4490 1 8 . 1 1 73 73 TYR CB C 73 39.479 39.479 39.070 0.409 19538 4491 1 8 . 1 1 73 73 TYR H H 73 9.305 9.305 8.450 0.855 19538 4492 1 8 . 1 1 74 74 MET N N 74 124.078 124.078 125.203 -1.125 19538 4493 1 8 . 1 1 74 74 MET HA H 74 4.867 4.867 5.483 -0.616 19538 4494 1 8 . 1 1 74 74 MET CA C 74 54.701 54.701 54.550 0.151 19538 4495 1 8 . 1 1 74 74 MET CB C 74 38.007 38.007 37.047 0.960 19538 4496 1 8 . 1 1 74 74 MET H H 74 8.761 8.761 9.243 -0.482 19538 4497 1 8 . 1 1 75 75 ARG N N 75 123.962 123.962 124.077 -0.115 19538 4498 1 8 . 1 1 75 75 ARG HA H 75 5.471 5.471 5.571 -0.100 19538 4499 1 8 . 1 1 75 75 ARG CA C 75 53.340 53.340 54.059 -0.719 19538 4500 1 8 . 1 1 75 75 ARG CB C 75 34.441 34.441 33.075 1.366 19538 4501 1 8 . 1 1 75 75 ARG H H 75 8.427 8.427 8.662 -0.235 19538 4502 1 8 . 1 1 76 76 PHE N N 76 114.935 114.935 115.407 -0.472 19538 4503 1 8 . 1 1 76 76 PHE HA H 76 4.621 4.621 4.830 -0.209 19538 4504 1 8 . 1 1 76 76 PHE CA C 76 55.856 55.856 56.082 -0.226 19538 4505 1 8 . 1 1 76 76 PHE CB C 76 39.167 39.167 41.297 -2.130 19538 4506 1 8 . 1 1 76 76 PHE H H 76 8.296 8.296 8.615 -0.319 19538 4507 1 8 . 1 1 77 77 HIS N N 77 117.830 117.830 119.806 -1.976 19538 4508 1 8 . 1 1 77 77 HIS HA H 77 5.451 5.451 5.632 -0.181 19538 4509 1 8 . 1 1 77 77 HIS CA C 77 54.767 54.767 55.231 -0.464 19538 4510 1 8 . 1 1 77 77 HIS CB C 77 31.102 31.102 32.434 -1.332 19538 4511 1 8 . 1 1 77 77 HIS H H 77 9.190 9.190 9.144 0.046 19538 4512 1 8 . 1 1 78 78 VAL N N 78 114.372 114.372 118.305 -3.933 19538 4513 1 8 . 1 1 78 78 VAL HA H 78 5.110 5.110 5.274 -0.164 19538 4514 1 8 . 1 1 78 78 VAL CA C 78 59.653 59.653 59.000 0.653 19538 4515 1 8 . 1 1 78 78 VAL CB C 78 35.073 35.073 35.559 -0.486 19538 4516 1 8 . 1 1 78 78 VAL H H 78 7.860 7.860 9.183 -1.323 19538 4517 1 8 . 1 1 79 79 GLU N N 79 126.076 126.076 123.477 2.599 19538 4518 1 8 . 1 1 79 79 GLU HA H 79 5.400 5.400 4.863 0.537 19538 4519 1 8 . 1 1 79 79 GLU CA C 79 54.316 54.316 55.269 -0.953 19538 4520 1 8 . 1 1 79 79 GLU CB C 79 34.060 34.060 31.816 2.244 19538 4521 1 8 . 1 1 79 79 GLU H H 79 9.213 9.213 9.087 0.126 19538 4522 1 8 . 1 1 80 80 SER N N 80 124.627 124.627 122.746 1.881 19538 4523 1 8 . 1 1 80 80 SER HA H 80 4.892 4.892 4.799 0.093 19538 4524 1 8 . 1 1 80 80 SER CA C 80 54.930 54.930 57.785 -2.855 19538 4525 1 8 . 1 1 80 80 SER CB C 80 67.503 67.503 64.805 2.697 19538 4526 1 8 . 1 1 80 80 SER H H 80 9.464 9.464 9.195 0.269 19538 4527 1 8 . 1 1 81 81 LYS N N 81 119.240 119.240 118.041 1.199 19538 4528 1 8 . 1 1 81 81 LYS HA H 81 4.000 4.000 4.193 -0.193 19538 4529 1 8 . 1 1 81 81 LYS CA C 81 59.099 59.099 58.254 0.845 19538 4530 1 8 . 1 1 81 81 LYS CB C 81 31.721 31.721 32.401 -0.680 19538 4531 1 8 . 1 1 81 81 LYS H H 81 10.052 10.052 8.249 1.803 19538 4532 1 8 . 1 1 82 82 LYS N N 82 114.688 114.688 115.615 -0.927 19538 4533 1 8 . 1 1 82 82 LYS HA H 82 4.365 4.365 4.430 -0.065 19538 4534 1 8 . 1 1 82 82 LYS CA C 82 56.211 56.211 56.499 -0.288 19538 4535 1 8 . 1 1 82 82 LYS CB C 82 36.484 36.484 35.019 1.465 19538 4536 1 8 . 1 1 82 82 LYS H H 82 7.782 7.782 7.594 0.188 19538 4537 1 8 . 1 1 83 83 LYS N N 83 118.992 118.992 119.534 -0.542 19538 4538 1 8 . 1 1 83 83 LYS HA H 83 4.749 4.749 4.696 0.053 19538 4539 1 8 . 1 1 83 83 LYS CA C 83 53.590 53.590 54.466 -0.876 19538 4540 1 8 . 1 1 83 83 LYS CB C 83 39.218 39.218 36.848 2.370 19538 4541 1 8 . 1 1 83 83 LYS H H 83 7.962 7.962 8.582 -0.620 19538 4542 1 8 . 1 1 84 84 ILE N N 84 118.513 118.513 121.950 -3.437 19538 4543 1 8 . 1 1 84 84 ILE HA H 84 4.556 4.556 4.778 -0.222 19538 4544 1 8 . 1 1 84 84 ILE CA C 84 60.643 60.643 60.767 -0.124 19538 4545 1 8 . 1 1 84 84 ILE CB C 84 39.946 39.946 38.589 1.357 19538 4546 1 8 . 1 1 84 84 ILE H H 84 7.927 7.927 8.573 -0.646 19538 4547 1 8 . 1 1 85 85 ALA N N 85 127.327 127.327 131.696 -4.369 19538 4548 1 8 . 1 1 85 85 ALA HA H 85 5.048 5.048 4.999 0.049 19538 4549 1 8 . 1 1 85 85 ALA CA C 85 49.316 49.316 50.347 -1.031 19538 4550 1 8 . 1 1 85 85 ALA CB C 85 24.205 24.205 21.990 2.215 19538 4551 1 8 . 1 1 85 85 ALA H H 85 9.211 9.211 9.261 -0.050 19538 4552 1 8 . 1 1 86 86 LEU N N 86 122.978 122.978 122.012 0.966 19538 4553 1 8 . 1 1 86 86 LEU HA H 86 4.554 4.554 4.726 -0.172 19538 4554 1 8 . 1 1 86 86 LEU CA C 86 53.671 53.671 53.989 -0.318 19538 4555 1 8 . 1 1 86 86 LEU CB C 86 44.396 44.396 45.602 -1.206 19538 4556 1 8 . 1 1 86 86 LEU H H 86 8.312 8.312 9.045 -0.733 19538 4557 1 8 . 1 1 87 87 VAL N N 87 127.511 127.511 126.717 0.794 19538 4558 1 8 . 1 1 87 87 VAL HA H 87 4.244 4.244 4.406 -0.162 19538 4559 1 8 . 1 1 87 87 VAL CA C 87 60.226 60.226 60.559 -0.333 19538 4560 1 8 . 1 1 87 87 VAL CB C 87 31.609 31.609 33.127 -1.518 19538 4561 1 8 . 1 1 87 87 VAL H H 87 9.017 9.017 9.002 0.015 19538 4562 1 8 . 1 1 88 88 HIS N N 88 124.227 124.227 127.230 -3.003 19538 4563 1 8 . 1 1 88 88 HIS HA H 88 4.687 4.687 4.986 -0.299 19538 4564 1 8 . 1 1 88 88 HIS CA C 88 54.314 54.314 52.680 1.634 19538 4565 1 8 . 1 1 88 88 HIS CB C 88 33.245 33.245 32.204 1.041 19538 4566 1 8 . 1 1 88 88 HIS H H 88 8.104 8.104 8.894 -0.790 19538 4567 1 8 . 1 1 89 89 LEU N N 89 121.992 121.992 129.225 -7.233 19538 4568 1 8 . 1 1 89 89 LEU HA H 89 5.050 5.050 4.901 0.149 19538 4569 1 8 . 1 1 89 89 LEU CA C 89 52.983 52.983 53.991 -1.008 19538 4570 1 8 . 1 1 89 89 LEU CB C 89 46.355 46.355 46.240 0.115 19538 4571 1 8 . 1 1 89 89 LEU H H 89 8.600 8.600 9.629 -1.029 19538 4572 1 8 . 1 1 90 90 GLU N N 90 121.551 121.551 126.649 -5.098 19538 4573 1 8 . 1 1 90 90 GLU HA H 90 5.253 5.253 5.698 -0.445 19538 4574 1 8 . 1 1 90 90 GLU CA C 90 53.422 53.422 54.455 -1.033 19538 4575 1 8 . 1 1 90 90 GLU CB C 90 33.238 33.238 32.587 0.651 19538 4576 1 8 . 1 1 90 90 GLU H H 90 8.816 8.816 9.375 -0.559 19538 4577 1 8 . 1 1 91 91 ALA N N 91 128.266 128.266 128.029 0.237 19538 4578 1 8 . 1 1 91 91 ALA HA H 91 5.385 5.385 5.384 0.001 19538 4579 1 8 . 1 1 91 91 ALA CA C 91 49.164 49.164 49.704 -0.540 19538 4580 1 8 . 1 1 91 91 ALA CB C 91 23.227 23.227 23.008 0.219 19538 4581 1 8 . 1 1 91 91 ALA H H 91 9.287 9.287 8.771 0.516 19538 4582 1 8 . 1 1 92 92 LYS N N 92 121.573 121.573 119.511 2.062 19538 4583 1 8 . 1 1 92 92 LYS HA H 92 4.884 4.884 5.255 -0.371 19538 4584 1 8 . 1 1 92 92 LYS CA C 92 54.365 54.365 53.782 0.583 19538 4585 1 8 . 1 1 92 92 LYS CB C 92 36.427 36.427 35.363 1.064 19538 4586 1 8 . 1 1 92 92 LYS H H 92 9.160 9.160 8.985 0.175 19538 4587 1 8 . 1 1 93 93 GLU N N 93 127.022 127.022 126.999 0.023 19538 4588 1 8 . 1 1 93 93 GLU HA H 93 4.145 4.145 4.084 0.061 19538 4589 1 8 . 1 1 93 93 GLU CA C 93 56.227 56.227 56.772 -0.544 19538 4590 1 8 . 1 1 93 93 GLU CB C 93 30.986 30.986 29.813 1.173 19538 4591 1 8 . 1 1 93 93 GLU H H 93 8.525 8.525 9.198 -0.673 19538 4592 1 8 . 1 1 94 94 SER N N 94 120.676 120.676 120.623 0.053 19538 4593 1 8 . 1 1 94 94 SER HA H 94 4.416 4.416 4.074 0.342 19538 4594 1 8 . 1 1 94 94 SER CA C 94 57.241 57.241 62.139 -4.898 19538 4595 1 8 . 1 1 94 94 SER CB C 94 63.634 63.634 63.643 -0.009 19538 4596 1 8 . 1 1 94 94 SER H H 94 8.877 8.877 8.377 0.500 19538 4597 1 8 . 1 1 95 95 LYS HA H 95 4.212 4.212 4.418 -0.206 19538 4598 1 8 . 1 1 95 95 LYS CA C 95 56.036 56.036 57.235 -1.199 19538 4599 1 8 . 1 1 95 95 LYS CB C 95 33.113 33.113 32.618 0.495 19538 4600 1 8 . 1 1 96 96 GLN N N 96 118.641 118.641 118.279 0.362 19538 4601 1 8 . 1 1 96 96 GLN HA H 96 4.140 4.140 4.229 -0.089 19538 4602 1 8 . 1 1 96 96 GLN CA C 96 56.338 56.338 55.777 0.561 19538 4603 1 8 . 1 1 96 96 GLN CB C 96 28.958 28.958 28.992 -0.034 19538 4604 1 8 . 1 1 96 96 GLN H H 96 8.335 8.335 8.211 0.124 19538 4605 1 8 . 1 1 97 97 ASN N N 97 116.545 116.545 117.903 -1.358 19538 4606 1 8 . 1 1 97 97 ASN HA H 97 4.511 4.511 4.525 -0.014 19538 4607 1 8 . 1 1 97 97 ASN CA C 97 53.163 53.163 53.186 -0.023 19538 4608 1 8 . 1 1 97 97 ASN CB C 97 38.370 38.370 39.131 -0.761 19538 4609 1 8 . 1 1 97 97 ASN H H 97 8.199 8.199 7.896 0.303 19538 4610 1 8 . 1 1 98 98 TYR N N 98 119.134 119.134 122.160 -3.026 19538 4611 1 8 . 1 1 98 98 TYR HA H 98 4.482 4.482 4.242 0.240 19538 4612 1 8 . 1 1 98 98 TYR CA C 98 57.458 57.458 59.833 -2.375 19538 4613 1 8 . 1 1 98 98 TYR CB C 98 38.539 38.539 38.660 -0.121 19538 4614 1 8 . 1 1 98 98 TYR H H 98 7.918 7.918 8.602 -0.684 19538 4615 1 8 . 1 1 99 99 GLN N N 99 119.975 119.975 117.863 2.112 19538 4616 1 8 . 1 1 99 99 GLN HA H 99 4.440 4.440 4.667 -0.227 19538 4617 1 8 . 1 1 99 99 GLN CA C 99 53.092 53.092 52.629 0.463 19538 4618 1 8 . 1 1 99 99 GLN CB C 99 27.891 27.891 28.786 -0.895 19538 4619 1 8 . 1 1 99 99 GLN H H 99 7.992 7.992 8.799 -0.807 19538 4620 1 8 . 1 1 100 100 PRO HA H 100 4.294 4.294 4.190 0.104 19538 4621 1 8 . 1 1 100 100 PRO CA C 100 62.415 62.415 61.994 0.421 19538 4622 1 8 . 1 1 100 100 PRO CB C 100 32.538 32.538 32.178 0.359 19538 4623 1 8 . 1 1 101 101 ASP N N 101 120.964 120.964 120.713 0.251 19538 4624 1 8 . 1 1 101 101 ASP HA H 101 4.654 4.654 4.444 0.210 19538 4625 1 8 . 1 1 101 101 ASP CA C 101 52.845 52.845 54.843 -1.998 19538 4626 1 8 . 1 1 101 101 ASP CB C 101 42.316 42.316 41.881 0.435 19538 4627 1 8 . 1 1 101 101 ASP H H 101 8.225 8.225 8.657 -0.432 19538 4628 1 8 . 1 1 102 102 PHE N N 102 122.913 122.913 120.909 2.004 19538 4629 1 8 . 1 1 102 102 PHE HA H 102 4.642 4.642 4.655 -0.013 19538 4630 1 8 . 1 1 102 102 PHE CA C 102 57.341 57.341 57.939 -0.598 19538 4631 1 8 . 1 1 102 102 PHE CB C 102 38.576 38.576 38.163 0.413 19538 4632 1 8 . 1 1 102 102 PHE H H 102 9.014 9.014 8.447 0.567 19538 4633 1 8 . 1 1 103 103 ILE N N 103 117.131 117.131 123.422 -6.291 19538 4634 1 8 . 1 1 103 103 ILE HA H 103 4.464 4.464 3.816 0.648 19538 4635 1 8 . 1 1 103 103 ILE CA C 103 60.346 60.346 64.098 -3.752 19538 4636 1 8 . 1 1 103 103 ILE CB C 103 39.243 39.243 38.538 0.706 19538 4637 1 8 . 1 1 103 103 ILE H H 103 8.765 8.765 8.368 0.397 19538 4638 1 8 . 1 1 104 104 ASN N N 104 117.264 117.264 115.317 1.947 19538 4639 1 8 . 1 1 104 104 ASN HA H 104 4.913 4.913 5.120 -0.207 19538 4640 1 8 . 1 1 104 104 ASN CA C 104 52.710 52.710 52.816 -0.105 19538 4641 1 8 . 1 1 104 104 ASN CB C 104 41.361 41.361 42.471 -1.110 19538 4642 1 8 . 1 1 104 104 ASN H H 104 7.441 7.441 8.168 -0.727 19538 4643 1 8 . 1 1 105 105 MET N N 105 125.685 125.685 119.776 5.909 19538 4644 1 8 . 1 1 105 105 MET HA H 105 5.484 5.484 5.234 0.250 19538 4645 1 8 . 1 1 105 105 MET CA C 105 56.071 56.071 55.312 0.759 19538 4646 1 8 . 1 1 105 105 MET CB C 105 34.514 34.514 35.258 -0.744 19538 4647 1 8 . 1 1 105 105 MET H H 105 9.244 9.244 9.094 0.150 19538 4648 1 8 . 1 1 106 106 TYR N N 106 125.856 125.856 120.253 5.603 19538 4649 1 8 . 1 1 106 106 TYR HA H 106 5.438 5.438 5.299 0.139 19538 4650 1 8 . 1 1 106 106 TYR CA C 106 54.552 54.552 55.151 -0.599 19538 4651 1 8 . 1 1 106 106 TYR CB C 106 40.104 40.104 40.586 -0.482 19538 4652 1 8 . 1 1 106 106 TYR H H 106 8.893 8.893 8.743 0.150 19538 4653 1 8 . 1 1 107 107 VAL N N 107 117.033 117.033 120.055 -3.022 19538 4654 1 8 . 1 1 107 107 VAL HA H 107 4.957 4.957 4.861 0.096 19538 4655 1 8 . 1 1 107 107 VAL CA C 107 60.008 60.008 61.091 -1.083 19538 4656 1 8 . 1 1 107 107 VAL CB C 107 35.319 35.319 34.477 0.842 19538 4657 1 8 . 1 1 107 107 VAL H H 107 9.041 9.041 9.401 -0.360 19538 4658 1 8 . 1 1 108 108 ASP N N 108 129.995 129.995 128.879 1.116 19538 4659 1 8 . 1 1 108 108 ASP HA H 108 5.240 5.240 5.119 0.121 19538 4660 1 8 . 1 1 108 108 ASP CA C 108 52.975 52.975 52.656 0.319 19538 4661 1 8 . 1 1 108 108 ASP CB C 108 42.245 42.245 42.786 -0.541 19538 4662 1 8 . 1 1 108 108 ASP H H 108 9.382 9.382 9.414 -0.032 19538 4663 1 8 . 1 1 109 109 VAL N N 109 129.641 129.641 126.315 3.326 19538 4664 1 8 . 1 1 109 109 VAL HA H 109 4.464 4.464 4.534 -0.070 19538 4665 1 8 . 1 1 109 109 VAL CA C 109 58.694 58.694 58.880 -0.186 19538 4666 1 8 . 1 1 109 109 VAL CB C 109 33.061 33.061 34.416 -1.355 19538 4667 1 8 . 1 1 109 109 VAL H H 109 9.181 9.181 8.424 0.757 19538 4668 1 8 . 1 1 110 110 PRO HA H 110 4.288 4.288 4.412 -0.124 19538 4669 1 8 . 1 1 110 110 PRO CA C 110 64.107 64.107 64.345 -0.238 19538 4670 1 8 . 1 1 110 110 PRO CB C 110 31.557 31.557 32.150 -0.593 19538 4671 1 8 . 1 1 111 111 GLY N N 111 112.873 112.873 113.193 -0.320 19538 4672 1 8 . 1 1 111 111 GLY CA C 111 44.872 44.872 45.621 -0.749 19538 4673 1 8 . 1 1 111 111 GLY H H 111 8.839 8.839 8.652 0.187 19538 4674 1 8 . 1 1 112 112 GLU N N 112 118.157 118.157 120.325 -2.168 19538 4675 1 8 . 1 1 112 112 GLU HA H 112 4.858 4.858 4.609 0.249 19538 4676 1 8 . 1 1 112 112 GLU CA C 112 52.732 52.732 54.714 -1.982 19538 4677 1 8 . 1 1 112 112 GLU CB C 112 31.513 31.513 31.603 -0.090 19538 4678 1 8 . 1 1 112 112 GLU H H 112 8.136 8.136 7.622 0.514 19538 4679 1 8 . 1 1 113 113 LYS N N 113 121.944 121.944 120.586 1.358 19538 4680 1 8 . 1 1 113 113 LYS HA H 113 4.208 4.208 4.392 -0.184 19538 4681 1 8 . 1 1 113 113 LYS CA C 113 55.810 55.810 56.019 -0.209 19538 4682 1 8 . 1 1 113 113 LYS CB C 113 32.157 32.157 32.895 -0.738 19538 4683 1 8 . 1 1 113 113 LYS H H 113 8.847 8.847 8.534 0.313 19538 4684 1 8 . 1 1 114 114 ARG N N 114 126.520 126.520 122.059 4.461 19538 4685 1 8 . 1 1 114 114 ARG HA H 114 4.064 4.064 4.550 -0.486 19538 4686 1 8 . 1 1 114 114 ARG CA C 114 57.914 57.914 56.716 1.198 19538 4687 1 8 . 1 1 114 114 ARG CB C 114 30.627 30.627 30.829 -0.202 19538 4688 1 8 . 1 1 114 114 ARG H H 114 8.539 8.539 8.432 0.107 19538 4689 1 8 . 1 1 115 115 TYR N N 115 128.478 128.478 127.925 0.553 19538 4690 1 8 . 1 1 115 115 TYR HA H 115 4.671 4.671 4.828 -0.157 19538 4691 1 8 . 1 1 115 115 TYR CA C 115 56.519 56.519 56.466 0.053 19538 4692 1 8 . 1 1 115 115 TYR CB C 115 40.193 40.193 41.475 -1.282 19538 4693 1 8 . 1 1 115 115 TYR H H 115 8.333 8.333 9.310 -0.977 19538 4694 1 8 . 1 1 116 116 TYR N N 116 127.101 127.101 128.072 -0.971 19538 4695 1 8 . 1 1 116 116 TYR HA H 116 4.553 4.553 4.807 -0.254 19538 4696 1 8 . 1 1 116 116 TYR CA C 116 58.502 58.502 57.426 1.076 19538 4697 1 8 . 1 1 116 116 TYR CB C 116 38.842 38.842 37.470 1.372 19538 4698 1 8 . 1 1 116 116 TYR H H 116 8.740 8.740 8.843 -0.103 19538 4699 1 8 . 1 1 117 117 LEU N N 117 125.574 125.574 127.433 -1.859 19538 4700 1 8 . 1 1 117 117 LEU HA H 117 4.394 4.394 4.304 0.090 19538 4701 1 8 . 1 1 117 117 LEU CA C 117 57.384 57.384 57.088 0.296 19538 4702 1 8 . 1 1 117 117 LEU CB C 117 43.272 43.272 42.953 0.320 19538 4703 1 8 . 1 1 117 117 LEU H H 117 8.427 8.427 8.556 -0.129 19538 4704 1 8 . 1 1 118 118 ILE N N 118 118.478 118.478 118.023 0.455 19538 4705 1 8 . 1 1 118 118 ILE HA H 118 4.199 4.199 4.262 -0.063 19538 4706 1 8 . 1 1 118 118 ILE CA C 118 60.074 60.074 60.191 -0.117 19538 4707 1 8 . 1 1 118 118 ILE CB C 118 40.895 40.895 40.318 0.577 19538 4708 1 8 . 1 1 118 118 ILE H H 118 7.983 7.983 8.298 -0.315 19538 4709 1 8 . 1 1 119 119 LYS N N 119 127.589 127.589 128.179 -0.590 19538 4710 1 8 . 1 1 119 119 LYS HA H 119 4.778 4.778 4.733 0.045 19538 4711 1 8 . 1 1 119 119 LYS CA C 119 53.232 53.232 52.731 0.501 19538 4712 1 8 . 1 1 119 119 LYS CB C 119 32.581 32.581 31.386 1.195 19538 4713 1 8 . 1 1 119 119 LYS H H 119 8.550 8.550 8.579 -0.029 19538 4714 1 8 . 1 1 120 120 PRO HA H 120 4.534 4.534 4.617 -0.083 19538 4715 1 8 . 1 1 120 120 PRO CA C 120 62.395 62.395 61.778 0.617 19538 4716 1 8 . 1 1 120 120 PRO CB C 120 32.059 32.059 32.502 -0.443 19538 4717 1 8 . 1 1 121 121 LYS N N 121 122.191 122.191 120.901 1.290 19538 4718 1 8 . 1 1 121 121 LYS HA H 121 4.136 4.136 3.975 0.161 19538 4719 1 8 . 1 1 121 121 LYS CA C 121 55.840 55.840 55.539 0.300 19538 4720 1 8 . 1 1 121 121 LYS CB C 121 33.162 33.162 29.409 3.753 19538 4721 1 8 . 1 1 121 121 LYS H H 121 8.406 8.406 8.486 -0.080 19538 4722 1 8 . 1 1 122 122 LEU N N 122 122.972 122.972 120.251 2.721 19538 4723 1 8 . 1 1 122 122 LEU HA H 122 4.219 4.219 4.001 0.218 19538 4724 1 8 . 1 1 122 122 LEU CA C 122 54.494 54.494 56.465 -1.971 19538 4725 1 8 . 1 1 122 122 LEU CB C 122 41.990 41.990 42.060 -0.070 19538 4726 1 8 . 1 1 122 122 LEU H H 122 8.158 8.158 7.692 0.466 19538 4727 1 8 . 1 1 123 123 HIS N N 123 121.608 121.608 114.873 6.735 19538 4728 1 8 . 1 1 123 123 HIS HA H 123 4.776 4.776 4.950 -0.174 19538 4729 1 8 . 1 1 123 123 HIS CA C 123 53.651 53.651 52.718 0.933 19538 4730 1 8 . 1 1 123 123 HIS CB C 123 30.145 30.145 29.606 0.539 19538 4731 1 8 . 1 1 123 123 HIS H H 123 8.172 8.172 6.935 1.237 19538 4732 1 8 . 1 1 124 124 PRO HA H 124 4.085 4.085 4.226 -0.141 19538 4733 1 8 . 1 1 124 124 PRO CA C 124 62.119 62.119 64.549 -2.430 19538 4734 1 8 . 1 1 124 124 PRO CB C 124 33.900 33.900 32.230 1.671 19538 4735 1 8 . 1 1 125 125 VAL N N 125 120.758 120.758 114.179 6.579 19538 4736 1 8 . 1 1 125 125 VAL HA H 125 4.085 4.085 4.217 -0.132 19538 4737 1 8 . 1 1 125 125 VAL CA C 125 61.791 61.791 60.689 1.102 19538 4738 1 8 . 1 1 125 125 VAL CB C 125 32.635 32.635 33.340 -0.705 19538 4739 1 8 . 1 1 125 125 VAL H H 125 8.361 8.361 7.408 0.953 19538 4740 1 8 . 1 1 126 126 SER N N 126 119.450 119.450 118.074 1.376 19538 4741 1 8 . 1 1 126 126 SER HA H 126 4.417 4.417 4.434 -0.017 19538 4742 1 8 . 1 1 126 126 SER CA C 126 57.522 57.522 59.555 -2.033 19538 4743 1 8 . 1 1 126 126 SER CB C 126 63.634 63.634 63.520 0.114 19538 4744 1 8 . 1 1 126 126 SER H H 126 8.323 8.323 8.374 -0.051 19538 4745 1 9 . 1 1 2 2 ALA N N 2 122.815 122.815 124.491 -1.676 19538 4746 1 9 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.313 -0.020 19538 4747 1 9 . 1 1 2 2 ALA CA C 2 52.085 52.085 52.266 -0.181 19538 4748 1 9 . 1 1 2 2 ALA CB C 2 19.067 19.067 17.606 1.461 19538 4749 1 9 . 1 1 2 2 ALA H H 2 8.102 8.102 8.288 -0.186 19538 4750 1 9 . 1 1 3 3 MET N N 3 119.897 119.897 118.948 0.949 19538 4751 1 9 . 1 1 3 3 MET HA H 3 4.401 4.401 4.501 -0.100 19538 4752 1 9 . 1 1 3 3 MET CA C 3 55.339 55.339 56.498 -1.159 19538 4753 1 9 . 1 1 3 3 MET CB C 3 32.938 32.938 33.267 -0.329 19538 4754 1 9 . 1 1 3 3 MET H H 3 8.501 8.501 7.836 0.665 19538 4755 1 9 . 1 1 4 4 GLY N N 4 110.174 110.174 112.645 -2.471 19538 4756 1 9 . 1 1 4 4 GLY CA C 4 44.706 44.706 46.638 -1.932 19538 4757 1 9 . 1 1 4 4 GLY H H 4 8.498 8.498 9.072 -0.574 19538 4758 1 9 . 1 1 5 5 SER HA H 5 4.368 4.368 4.671 -0.303 19538 4759 1 9 . 1 1 5 5 SER CA C 5 58.467 58.467 57.428 1.038 19538 4760 1 9 . 1 1 5 5 SER CB C 5 63.530 63.530 63.631 -0.101 19538 4761 1 9 . 1 1 6 6 GLY CA C 6 45.983 45.983 47.616 -1.633 19538 4762 1 9 . 1 1 7 7 ASP N N 7 122.649 122.649 120.873 1.776 19538 4763 1 9 . 1 1 7 7 ASP HA H 7 4.375 4.375 4.539 -0.164 19538 4764 1 9 . 1 1 7 7 ASP CA C 7 56.523 56.523 57.789 -1.266 19538 4765 1 9 . 1 1 7 7 ASP CB C 7 40.235 40.235 40.172 0.063 19538 4766 1 9 . 1 1 7 7 ASP H H 7 8.457 8.457 8.565 -0.108 19538 4767 1 9 . 1 1 8 8 THR N N 8 116.751 116.751 116.681 0.070 19538 4768 1 9 . 1 1 8 8 THR HA H 8 3.853 3.853 4.016 -0.163 19538 4769 1 9 . 1 1 8 8 THR CA C 8 66.104 66.104 67.204 -1.100 19538 4770 1 9 . 1 1 8 8 THR CB C 8 68.047 68.047 68.524 -0.477 19538 4771 1 9 . 1 1 8 8 THR H H 8 8.128 8.128 8.220 -0.092 19538 4772 1 9 . 1 1 9 9 GLN N N 9 120.186 120.186 121.526 -1.340 19538 4773 1 9 . 1 1 9 9 GLN HA H 9 4.038 4.038 4.161 -0.123 19538 4774 1 9 . 1 1 9 9 GLN CA C 9 58.699 58.699 59.245 -0.545 19538 4775 1 9 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.517 -0.417 19538 4776 1 9 . 1 1 9 9 GLN H H 9 7.831 7.831 8.854 -1.023 19538 4777 1 9 . 1 1 10 10 LEU N N 10 120.735 120.735 120.724 0.011 19538 4778 1 9 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.147 -0.230 19538 4779 1 9 . 1 1 10 10 LEU CA C 10 58.126 58.126 58.453 -0.327 19538 4780 1 9 . 1 1 10 10 LEU CB C 10 41.935 41.935 41.752 0.183 19538 4781 1 9 . 1 1 10 10 LEU H H 10 7.670 7.670 9.024 -1.354 19538 4782 1 9 . 1 1 11 11 PHE N N 11 117.802 117.802 121.039 -3.237 19538 4783 1 9 . 1 1 11 11 PHE HA H 11 3.821 3.821 3.821 0.000 19538 4784 1 9 . 1 1 11 11 PHE CA C 11 60.224 60.224 62.085 -1.861 19538 4785 1 9 . 1 1 11 11 PHE CB C 11 38.798 38.798 38.890 -0.092 19538 4786 1 9 . 1 1 11 11 PHE H H 11 7.939 7.939 9.262 -1.323 19538 4787 1 9 . 1 1 12 12 ASN N N 12 117.152 117.152 118.270 -1.118 19538 4788 1 9 . 1 1 12 12 ASN HA H 12 3.868 3.868 4.223 -0.355 19538 4789 1 9 . 1 1 12 12 ASN CA C 12 55.410 55.410 56.466 -1.056 19538 4790 1 9 . 1 1 12 12 ASN CB C 12 37.188 37.188 37.894 -0.706 19538 4791 1 9 . 1 1 12 12 ASN H H 12 8.562 8.562 8.807 -0.245 19538 4792 1 9 . 1 1 13 13 ARG N N 13 119.825 119.825 120.825 -1.000 19538 4793 1 9 . 1 1 13 13 ARG HA H 13 3.914 3.914 4.020 -0.106 19538 4794 1 9 . 1 1 13 13 ARG CA C 13 58.623 58.623 59.533 -0.910 19538 4795 1 9 . 1 1 13 13 ARG CB C 13 31.719 31.719 30.349 1.370 19538 4796 1 9 . 1 1 13 13 ARG H H 13 8.006 8.006 8.730 -0.724 19538 4797 1 9 . 1 1 14 14 ALA N N 14 122.749 122.749 122.978 -0.229 19538 4798 1 9 . 1 1 14 14 ALA HA H 14 3.938 3.938 4.045 -0.107 19538 4799 1 9 . 1 1 14 14 ALA CA C 14 54.976 54.976 55.106 -0.130 19538 4800 1 9 . 1 1 14 14 ALA CB C 14 19.446 19.446 18.407 1.039 19538 4801 1 9 . 1 1 14 14 ALA H H 14 8.163 8.163 8.690 -0.527 19538 4802 1 9 . 1 1 15 15 VAL N N 15 118.460 118.460 118.356 0.104 19538 4803 1 9 . 1 1 15 15 VAL HA H 15 3.219 3.219 3.447 -0.228 19538 4804 1 9 . 1 1 15 15 VAL CA C 15 66.611 66.611 66.172 0.439 19538 4805 1 9 . 1 1 15 15 VAL CB C 15 30.889 30.889 30.897 -0.008 19538 4806 1 9 . 1 1 15 15 VAL H H 15 8.718 8.718 8.461 0.257 19538 4807 1 9 . 1 1 16 16 SER N N 16 113.102 113.102 115.283 -2.181 19538 4808 1 9 . 1 1 16 16 SER HA H 16 4.144 4.144 4.034 0.110 19538 4809 1 9 . 1 1 16 16 SER CA C 16 60.888 60.888 61.579 -0.691 19538 4810 1 9 . 1 1 16 16 SER CB C 16 62.503 62.503 62.898 -0.395 19538 4811 1 9 . 1 1 16 16 SER H H 16 7.243 7.243 7.720 -0.477 19538 4812 1 9 . 1 1 17 17 MET N N 17 117.447 117.447 120.023 -2.576 19538 4813 1 9 . 1 1 17 17 MET HA H 17 3.875 3.875 4.058 -0.183 19538 4814 1 9 . 1 1 17 17 MET CA C 17 58.575 58.575 58.963 -0.388 19538 4815 1 9 . 1 1 17 17 MET CB C 17 33.489 33.489 33.007 0.482 19538 4816 1 9 . 1 1 17 17 MET H H 17 7.232 7.232 7.999 -0.767 19538 4817 1 9 . 1 1 18 18 VAL N N 18 117.842 117.842 114.912 2.930 19538 4818 1 9 . 1 1 18 18 VAL HA H 18 3.357 3.357 3.788 -0.431 19538 4819 1 9 . 1 1 18 18 VAL CA C 18 66.065 66.065 65.662 0.403 19538 4820 1 9 . 1 1 18 18 VAL CB C 18 31.686 31.686 31.337 0.349 19538 4821 1 9 . 1 1 18 18 VAL H H 18 7.678 7.678 8.184 -0.506 19538 4822 1 9 . 1 1 19 19 GLU N N 19 113.150 113.150 119.814 -6.664 19538 4823 1 9 . 1 1 19 19 GLU HA H 19 3.618 3.618 3.958 -0.340 19538 4824 1 9 . 1 1 19 19 GLU CA C 19 58.198 58.198 59.598 -1.400 19538 4825 1 9 . 1 1 19 19 GLU CB C 19 29.786 29.786 29.531 0.255 19538 4826 1 9 . 1 1 19 19 GLU H H 19 8.378 8.378 8.339 0.039 19538 4827 1 9 . 1 1 20 20 LYS N N 20 114.076 114.076 113.641 0.435 19538 4828 1 9 . 1 1 20 20 LYS HA H 20 4.243 4.243 4.354 -0.111 19538 4829 1 9 . 1 1 20 20 LYS CA C 20 55.725 55.725 54.815 0.910 19538 4830 1 9 . 1 1 20 20 LYS CB C 20 33.032 33.032 32.341 0.691 19538 4831 1 9 . 1 1 20 20 LYS H H 20 7.072 7.072 7.414 -0.342 19538 4832 1 9 . 1 1 21 21 ASN N N 21 121.025 121.025 120.969 0.056 19538 4833 1 9 . 1 1 21 21 ASN HA H 21 4.555 4.555 4.481 0.074 19538 4834 1 9 . 1 1 21 21 ASN CA C 21 53.766 53.766 53.064 0.702 19538 4835 1 9 . 1 1 21 21 ASN CB C 21 39.835 39.835 39.151 0.684 19538 4836 1 9 . 1 1 21 21 ASN H H 21 7.230 7.230 7.410 -0.180 19538 4837 1 9 . 1 1 22 22 LYS N N 22 128.112 128.112 127.458 0.654 19538 4838 1 9 . 1 1 22 22 LYS HA H 22 3.698 3.698 3.869 -0.171 19538 4839 1 9 . 1 1 22 22 LYS CA C 22 59.519 59.519 59.951 -0.432 19538 4840 1 9 . 1 1 22 22 LYS CB C 22 32.140 32.140 31.296 0.844 19538 4841 1 9 . 1 1 22 22 LYS H H 22 8.846 8.846 8.784 0.062 19538 4842 1 9 . 1 1 23 23 ASP N N 23 120.250 120.250 120.416 -0.166 19538 4843 1 9 . 1 1 23 23 ASP HA H 23 4.297 4.297 4.473 -0.176 19538 4844 1 9 . 1 1 23 23 ASP CA C 23 56.787 56.787 56.976 -0.189 19538 4845 1 9 . 1 1 23 23 ASP CB C 23 39.444 39.444 40.615 -1.171 19538 4846 1 9 . 1 1 23 23 ASP H H 23 7.731 7.731 7.980 -0.249 19538 4847 1 9 . 1 1 24 24 ILE N N 24 121.988 121.988 121.407 0.581 19538 4848 1 9 . 1 1 24 24 ILE HA H 24 3.219 3.219 3.341 -0.122 19538 4849 1 9 . 1 1 24 24 ILE CA C 24 63.375 63.375 65.756 -2.381 19538 4850 1 9 . 1 1 24 24 ILE CB C 24 35.424 35.424 37.592 -2.168 19538 4851 1 9 . 1 1 24 24 ILE H H 24 8.431 8.431 9.023 -0.592 19538 4852 1 9 . 1 1 25 25 ARG N N 25 118.181 118.181 120.091 -1.910 19538 4853 1 9 . 1 1 25 25 ARG HA H 25 3.810 3.810 3.867 -0.057 19538 4854 1 9 . 1 1 25 25 ARG CA C 25 60.546 60.546 60.577 -0.031 19538 4855 1 9 . 1 1 25 25 ARG CB C 25 30.205 30.205 29.921 0.284 19538 4856 1 9 . 1 1 25 25 ARG H H 25 8.206 8.206 8.929 -0.723 19538 4857 1 9 . 1 1 26 26 SER N N 26 112.549 112.549 116.404 -3.855 19538 4858 1 9 . 1 1 26 26 SER HA H 26 4.373 4.373 4.208 0.165 19538 4859 1 9 . 1 1 26 26 SER CA C 26 61.040 61.040 62.207 -1.167 19538 4860 1 9 . 1 1 26 26 SER CB C 26 62.096 62.096 62.775 -0.679 19538 4861 1 9 . 1 1 26 26 SER H H 26 7.518 7.518 7.872 -0.354 19538 4862 1 9 . 1 1 27 27 LEU N N 27 125.275 125.275 122.541 2.734 19538 4863 1 9 . 1 1 27 27 LEU HA H 27 4.013 4.013 4.070 -0.057 19538 4864 1 9 . 1 1 27 27 LEU CA C 27 57.652 57.652 57.308 0.344 19538 4865 1 9 . 1 1 27 27 LEU CB C 27 42.548 42.548 42.133 0.415 19538 4866 1 9 . 1 1 27 27 LEU H H 27 8.050 8.050 8.181 -0.131 19538 4867 1 9 . 1 1 28 28 LEU N N 28 114.725 114.725 113.373 1.352 19538 4868 1 9 . 1 1 28 28 LEU HA H 28 3.863 3.863 4.229 -0.366 19538 4869 1 9 . 1 1 28 28 LEU CA C 28 54.299 54.299 54.788 -0.489 19538 4870 1 9 . 1 1 28 28 LEU CB C 28 42.874 42.874 41.696 1.178 19538 4871 1 9 . 1 1 28 28 LEU H H 28 8.010 8.010 8.401 -0.391 19538 4872 1 9 . 1 1 29 29 GLN N N 29 116.444 116.444 114.079 2.365 19538 4873 1 9 . 1 1 29 29 GLN HA H 29 3.854 3.854 3.953 -0.099 19538 4874 1 9 . 1 1 29 29 GLN CA C 29 55.652 55.652 56.538 -0.887 19538 4875 1 9 . 1 1 29 29 GLN CB C 29 25.300 25.300 25.357 -0.057 19538 4876 1 9 . 1 1 29 29 GLN H H 29 7.972 7.972 7.894 0.078 19538 4877 1 9 . 1 1 30 30 CYS N N 30 116.363 116.363 120.178 -3.815 19538 4878 1 9 . 1 1 30 30 CYS HA H 30 4.133 4.133 4.141 -0.008 19538 4879 1 9 . 1 1 30 30 CYS CA C 30 61.559 61.559 60.059 1.500 19538 4880 1 9 . 1 1 30 30 CYS CB C 30 27.701 27.701 25.729 1.972 19538 4881 1 9 . 1 1 30 30 CYS H H 30 7.847 7.847 8.956 -1.109 19538 4882 1 9 . 1 1 31 31 ASP N N 31 125.091 125.091 124.297 0.794 19538 4883 1 9 . 1 1 31 31 ASP HA H 31 4.598 4.598 4.693 -0.095 19538 4884 1 9 . 1 1 31 31 ASP CA C 31 52.428 52.428 53.399 -0.971 19538 4885 1 9 . 1 1 31 31 ASP CB C 31 39.156 39.156 42.053 -2.897 19538 4886 1 9 . 1 1 31 31 ASP H H 31 9.918 9.918 8.566 1.352 19538 4887 1 9 . 1 1 32 32 ASP N N 32 124.593 124.593 125.977 -1.384 19538 4888 1 9 . 1 1 32 32 ASP HA H 32 5.131 5.131 4.697 0.434 19538 4889 1 9 . 1 1 32 32 ASP CA C 32 52.190 52.190 53.923 -1.733 19538 4890 1 9 . 1 1 32 32 ASP CB C 32 41.542 41.542 41.447 0.095 19538 4891 1 9 . 1 1 32 32 ASP H H 32 7.532 7.532 8.338 -0.806 19538 4892 1 9 . 1 1 33 33 GLY N N 33 109.888 109.888 113.737 -3.849 19538 4893 1 9 . 1 1 33 33 GLY CA C 33 44.840 44.840 45.236 -0.396 19538 4894 1 9 . 1 1 33 33 GLY H H 33 7.912 7.912 9.094 -1.182 19538 4895 1 9 . 1 1 34 34 ILE HA H 34 3.978 3.978 3.781 0.197 19538 4896 1 9 . 1 1 34 34 ILE CA C 34 63.210 63.210 64.566 -1.356 19538 4897 1 9 . 1 1 34 34 ILE CB C 34 38.027 38.027 38.200 -0.173 19538 4898 1 9 . 1 1 35 35 THR N N 35 109.823 109.823 110.873 -1.050 19538 4899 1 9 . 1 1 35 35 THR HA H 35 4.291 4.291 4.384 -0.093 19538 4900 1 9 . 1 1 35 35 THR CA C 35 61.511 61.511 61.665 -0.154 19538 4901 1 9 . 1 1 35 35 THR CB C 35 68.374 68.374 69.753 -1.379 19538 4902 1 9 . 1 1 35 35 THR H H 35 7.995 7.995 8.161 -0.166 19538 4903 1 9 . 1 1 36 36 GLY N N 36 109.916 109.916 109.683 0.233 19538 4904 1 9 . 1 1 36 36 GLY CA C 36 44.282 44.282 44.492 -0.210 19538 4905 1 9 . 1 1 36 36 GLY H H 36 7.564 7.564 7.177 0.387 19538 4906 1 9 . 1 1 37 37 LYS N N 37 119.833 119.833 121.679 -1.846 19538 4907 1 9 . 1 1 37 37 LYS HA H 37 4.442 4.442 4.569 -0.127 19538 4908 1 9 . 1 1 37 37 LYS CA C 37 54.520 54.520 54.866 -0.346 19538 4909 1 9 . 1 1 37 37 LYS CB C 37 33.208 33.208 33.948 -0.740 19538 4910 1 9 . 1 1 37 37 LYS H H 37 8.236 8.236 8.343 -0.107 19538 4911 1 9 . 1 1 38 38 GLU N N 38 125.697 125.697 123.716 1.981 19538 4912 1 9 . 1 1 38 38 GLU HA H 38 3.907 3.907 4.453 -0.546 19538 4913 1 9 . 1 1 38 38 GLU CA C 38 56.731 56.731 55.223 1.508 19538 4914 1 9 . 1 1 38 38 GLU CB C 38 29.779 29.779 32.097 -2.318 19538 4915 1 9 . 1 1 38 38 GLU H H 38 8.175 8.175 8.767 -0.592 19538 4916 1 9 . 1 1 39 39 ARG N N 39 128.738 128.738 123.052 5.686 19538 4917 1 9 . 1 1 39 39 ARG HA H 39 4.260 4.260 4.505 -0.245 19538 4918 1 9 . 1 1 39 39 ARG CA C 39 55.343 55.343 55.050 0.293 19538 4919 1 9 . 1 1 39 39 ARG CB C 39 29.529 29.529 31.052 -1.523 19538 4920 1 9 . 1 1 39 39 ARG H H 39 8.920 8.920 8.663 0.257 19538 4921 1 9 . 1 1 40 40 LEU N N 40 127.659 127.659 126.236 1.423 19538 4922 1 9 . 1 1 40 40 LEU HA H 40 4.488 4.488 4.413 0.075 19538 4923 1 9 . 1 1 40 40 LEU CA C 40 53.848 53.848 56.567 -2.719 19538 4924 1 9 . 1 1 40 40 LEU CB C 40 42.333 42.333 42.081 0.252 19538 4925 1 9 . 1 1 40 40 LEU H H 40 8.670 8.670 8.723 -0.053 19538 4926 1 9 . 1 1 41 41 LYS N N 41 121.136 121.136 123.848 -2.712 19538 4927 1 9 . 1 1 41 41 LYS HA H 41 4.647 4.647 4.691 -0.044 19538 4928 1 9 . 1 1 41 41 LYS CA C 41 55.062 55.062 54.674 0.388 19538 4929 1 9 . 1 1 41 41 LYS CB C 41 35.064 35.064 34.766 0.298 19538 4930 1 9 . 1 1 41 41 LYS H H 41 8.273 8.273 8.882 -0.609 19538 4931 1 9 . 1 1 42 42 ALA N N 42 123.758 123.758 126.028 -2.270 19538 4932 1 9 . 1 1 42 42 ALA HA H 42 5.605 5.605 5.308 0.297 19538 4933 1 9 . 1 1 42 42 ALA CA C 42 50.529 50.529 51.438 -0.909 19538 4934 1 9 . 1 1 42 42 ALA CB C 42 22.577 22.577 22.293 0.284 19538 4935 1 9 . 1 1 42 42 ALA H H 42 8.488 8.488 8.613 -0.125 19538 4936 1 9 . 1 1 43 43 TYR N N 43 116.716 116.716 119.838 -3.122 19538 4937 1 9 . 1 1 43 43 TYR HA H 43 4.758 4.758 4.815 -0.057 19538 4938 1 9 . 1 1 43 43 TYR CA C 43 55.975 55.975 55.613 0.362 19538 4939 1 9 . 1 1 43 43 TYR CB C 43 38.409 38.409 39.818 -1.409 19538 4940 1 9 . 1 1 43 43 TYR H H 43 8.123 8.123 8.985 -0.862 19538 4941 1 9 . 1 1 44 44 GLY N N 44 106.591 106.591 107.397 -0.806 19538 4942 1 9 . 1 1 44 44 GLY CA C 44 45.172 45.172 45.455 -0.283 19538 4943 1 9 . 1 1 44 44 GLY H H 44 8.663 8.663 8.592 0.071 19538 4944 1 9 . 1 1 45 45 GLU N N 45 118.850 118.850 123.184 -4.334 19538 4945 1 9 . 1 1 45 45 GLU HA H 45 4.310 4.310 4.195 0.115 19538 4946 1 9 . 1 1 45 45 GLU CA C 45 56.286 56.286 58.553 -2.267 19538 4947 1 9 . 1 1 45 45 GLU CB C 45 31.304 31.304 30.272 1.032 19538 4948 1 9 . 1 1 45 45 GLU H H 45 8.287 8.287 8.232 0.055 19538 4949 1 9 . 1 1 46 46 LEU N N 46 124.692 124.692 121.544 3.148 19538 4950 1 9 . 1 1 46 46 LEU HA H 46 4.361 4.361 4.860 -0.499 19538 4951 1 9 . 1 1 46 46 LEU CA C 46 54.967 54.967 55.947 -0.980 19538 4952 1 9 . 1 1 46 46 LEU CB C 46 41.980 41.980 43.403 -1.423 19538 4953 1 9 . 1 1 46 46 LEU H H 46 9.010 9.010 8.441 0.569 19538 4954 1 9 . 1 1 47 47 ILE N N 47 123.302 123.302 117.618 5.684 19538 4955 1 9 . 1 1 47 47 ILE HA H 47 4.272 4.272 4.271 0.001 19538 4956 1 9 . 1 1 47 47 ILE CA C 47 60.399 60.399 59.258 1.141 19538 4957 1 9 . 1 1 47 47 ILE CB C 47 38.676 38.676 36.295 2.381 19538 4958 1 9 . 1 1 47 47 ILE H H 47 8.407 8.407 9.137 -0.730 19538 4959 1 9 . 1 1 48 48 THR N N 48 117.749 117.749 115.381 2.368 19538 4960 1 9 . 1 1 48 48 THR HA H 48 4.330 4.330 3.859 0.471 19538 4961 1 9 . 1 1 48 48 THR CA C 48 61.234 61.234 65.209 -3.975 19538 4962 1 9 . 1 1 48 48 THR CB C 48 69.327 69.327 68.763 0.564 19538 4963 1 9 . 1 1 48 48 THR H H 48 8.183 8.183 8.072 0.111 19538 4964 1 9 . 1 1 49 49 ASN N N 49 120.102 120.102 117.320 2.782 19538 4965 1 9 . 1 1 49 49 ASN HA H 49 4.585 4.585 4.648 -0.063 19538 4966 1 9 . 1 1 49 49 ASN CA C 49 53.193 53.193 54.076 -0.883 19538 4967 1 9 . 1 1 49 49 ASN CB C 49 38.261 38.261 38.954 -0.693 19538 4968 1 9 . 1 1 49 49 ASN H H 49 8.418 8.418 8.262 0.156 19538 4969 1 9 . 1 1 50 50 ASP N N 50 119.783 119.783 120.898 -1.115 19538 4970 1 9 . 1 1 50 50 ASP HA H 50 4.454 4.454 4.447 0.007 19538 4971 1 9 . 1 1 50 50 ASP CA C 50 53.950 53.950 55.513 -1.563 19538 4972 1 9 . 1 1 50 50 ASP CB C 50 41.231 41.231 40.664 0.567 19538 4973 1 9 . 1 1 50 50 ASP H H 50 8.096 8.096 8.553 -0.457 19538 4974 1 9 . 1 1 51 51 LYS N N 51 120.547 120.547 119.221 1.326 19538 4975 1 9 . 1 1 51 51 LYS HA H 51 4.017 4.017 4.390 -0.373 19538 4976 1 9 . 1 1 51 51 LYS CA C 51 56.633 56.633 56.154 0.479 19538 4977 1 9 . 1 1 51 51 LYS CB C 51 32.052 32.052 33.260 -1.208 19538 4978 1 9 . 1 1 51 51 LYS H H 51 8.173 8.173 8.043 0.130 19538 4979 1 9 . 1 1 52 52 TRP N N 52 120.062 120.062 118.891 1.171 19538 4980 1 9 . 1 1 52 52 TRP HA H 52 4.617 4.617 4.878 -0.261 19538 4981 1 9 . 1 1 52 52 TRP CA C 52 57.045 57.045 58.264 -1.219 19538 4982 1 9 . 1 1 52 52 TRP CB C 52 29.251 29.251 28.870 0.381 19538 4983 1 9 . 1 1 52 52 TRP H H 52 8.094 8.094 7.775 0.319 19538 4984 1 9 . 1 1 53 53 THR N N 53 115.770 115.770 113.099 2.671 19538 4985 1 9 . 1 1 53 53 THR HA H 53 4.262 4.262 3.915 0.347 19538 4986 1 9 . 1 1 53 53 THR CA C 53 61.625 61.625 65.385 -3.760 19538 4987 1 9 . 1 1 53 53 THR CB C 53 69.153 69.153 68.535 0.618 19538 4988 1 9 . 1 1 53 53 THR H H 53 7.789 7.789 8.570 -0.781 19538 4989 1 9 . 1 1 54 54 ARG N N 54 122.136 122.136 119.336 2.800 19538 4990 1 9 . 1 1 54 54 ARG HA H 54 4.133 4.133 4.217 -0.084 19538 4991 1 9 . 1 1 54 54 ARG CA C 54 56.038 56.038 57.606 -1.568 19538 4992 1 9 . 1 1 54 54 ARG CB C 54 30.441 30.441 29.895 0.546 19538 4993 1 9 . 1 1 54 54 ARG H H 54 8.191 8.191 8.296 -0.105 19538 4994 1 9 . 1 1 55 55 ASN N N 55 117.842 117.842 117.945 -0.103 19538 4995 1 9 . 1 1 55 55 ASN HA H 55 4.713 4.713 4.586 0.127 19538 4996 1 9 . 1 1 55 55 ASN CA C 55 52.873 52.873 53.590 -0.716 19538 4997 1 9 . 1 1 55 55 ASN CB C 55 38.769 38.769 38.070 0.699 19538 4998 1 9 . 1 1 55 55 ASN H H 55 8.205 8.205 8.870 -0.665 19538 4999 1 9 . 1 1 56 56 ARG N N 56 121.615 121.615 120.957 0.658 19538 5000 1 9 . 1 1 56 56 ARG HA H 56 4.542 4.542 4.164 0.378 19538 5001 1 9 . 1 1 56 56 ARG CA C 56 53.765 53.765 54.843 -1.078 19538 5002 1 9 . 1 1 56 56 ARG CB C 56 30.009 30.009 28.136 1.873 19538 5003 1 9 . 1 1 56 56 ARG H H 56 8.246 8.246 8.008 0.238 19538 5004 1 9 . 1 1 57 57 PRO HA H 57 4.273 4.273 4.401 -0.128 19538 5005 1 9 . 1 1 57 57 PRO CA C 57 62.424 62.424 62.255 0.169 19538 5006 1 9 . 1 1 57 57 PRO CB C 57 31.987 31.987 32.364 -0.377 19538 5007 1 9 . 1 1 58 58 ILE N N 58 122.700 122.700 121.338 1.362 19538 5008 1 9 . 1 1 58 58 ILE HA H 58 4.089 4.089 3.879 0.210 19538 5009 1 9 . 1 1 58 58 ILE CA C 58 60.655 60.655 62.577 -1.922 19538 5010 1 9 . 1 1 58 58 ILE CB C 58 37.111 37.111 35.864 1.247 19538 5011 1 9 . 1 1 58 58 ILE H H 58 8.098 8.098 8.567 -0.469 19538 5012 1 9 . 1 1 59 59 VAL N N 59 124.097 124.097 119.038 5.059 19538 5013 1 9 . 1 1 59 59 VAL HA H 59 4.549 4.549 4.667 -0.118 19538 5014 1 9 . 1 1 59 59 VAL CA C 59 59.613 59.613 59.550 0.063 19538 5015 1 9 . 1 1 59 59 VAL CB C 59 34.980 34.980 35.203 -0.223 19538 5016 1 9 . 1 1 59 59 VAL H H 59 8.167 8.167 7.959 0.208 19538 5017 1 9 . 1 1 60 60 SER N N 60 119.752 119.752 116.164 3.588 19538 5018 1 9 . 1 1 60 60 SER HA H 60 5.136 5.136 5.241 -0.105 19538 5019 1 9 . 1 1 60 60 SER CA C 60 56.467 56.467 56.779 -0.312 19538 5020 1 9 . 1 1 60 60 SER CB C 60 64.890 64.890 65.523 -0.633 19538 5021 1 9 . 1 1 60 60 SER H H 60 8.592 8.592 9.725 -1.133 19538 5022 1 9 . 1 1 61 61 THR N N 61 117.559 117.559 117.254 0.305 19538 5023 1 9 . 1 1 61 61 THR HA H 61 4.576 4.576 4.307 0.269 19538 5024 1 9 . 1 1 61 61 THR CA C 61 61.348 61.348 62.615 -1.267 19538 5025 1 9 . 1 1 61 61 THR CB C 61 70.276 70.276 69.263 1.013 19538 5026 1 9 . 1 1 61 61 THR H H 61 9.214 9.214 9.268 -0.054 19538 5027 1 9 . 1 1 62 62 LYS N N 62 123.743 123.743 127.200 -3.457 19538 5028 1 9 . 1 1 62 62 LYS HA H 62 5.507 5.507 4.677 0.830 19538 5029 1 9 . 1 1 62 62 LYS CA C 62 54.843 54.843 55.114 -0.271 19538 5030 1 9 . 1 1 62 62 LYS CB C 62 35.211 35.211 31.481 3.730 19538 5031 1 9 . 1 1 62 62 LYS H H 62 8.687 8.687 8.568 0.119 19538 5032 1 9 . 1 1 63 63 LYS N N 63 121.218 121.218 126.027 -4.809 19538 5033 1 9 . 1 1 63 63 LYS HA H 63 4.595 4.595 4.593 0.002 19538 5034 1 9 . 1 1 63 63 LYS CA C 63 54.760 54.760 55.190 -0.430 19538 5035 1 9 . 1 1 63 63 LYS CB C 63 36.712 36.712 34.193 2.519 19538 5036 1 9 . 1 1 63 63 LYS H H 63 8.797 8.797 9.300 -0.503 19538 5037 1 9 . 1 1 64 64 LEU N N 64 124.605 124.605 128.832 -4.227 19538 5038 1 9 . 1 1 64 64 LEU HA H 64 4.920 4.920 4.607 0.313 19538 5039 1 9 . 1 1 64 64 LEU CA C 64 53.797 53.797 54.323 -0.526 19538 5040 1 9 . 1 1 64 64 LEU CB C 64 43.553 43.553 43.010 0.543 19538 5041 1 9 . 1 1 64 64 LEU H H 64 8.604 8.604 8.718 -0.114 19538 5042 1 9 . 1 1 65 65 ASP N N 65 122.577 122.577 126.817 -4.240 19538 5043 1 9 . 1 1 65 65 ASP HA H 65 4.664 4.664 5.052 -0.388 19538 5044 1 9 . 1 1 65 65 ASP CA C 65 51.824 51.824 52.458 -0.634 19538 5045 1 9 . 1 1 65 65 ASP CB C 65 41.277 41.277 43.493 -2.216 19538 5046 1 9 . 1 1 65 65 ASP H H 65 8.455 8.455 8.440 0.015 19538 5047 1 9 . 1 1 66 66 LYS N N 66 117.718 117.718 119.026 -1.308 19538 5048 1 9 . 1 1 66 66 LYS HA H 66 4.052 4.052 4.027 0.025 19538 5049 1 9 . 1 1 66 66 LYS CA C 66 58.116 58.116 58.698 -0.582 19538 5050 1 9 . 1 1 66 66 LYS CB C 66 31.677 31.677 32.062 -0.386 19538 5051 1 9 . 1 1 66 66 LYS H H 66 8.339 8.339 8.695 -0.356 19538 5052 1 9 . 1 1 67 67 GLU N N 67 118.253 118.253 117.932 0.321 19538 5053 1 9 . 1 1 67 67 GLU HA H 67 4.323 4.323 4.164 0.159 19538 5054 1 9 . 1 1 67 67 GLU CA C 67 56.018 56.018 57.028 -1.010 19538 5055 1 9 . 1 1 67 67 GLU CB C 67 29.587 29.587 29.052 0.535 19538 5056 1 9 . 1 1 67 67 GLU H H 67 8.096 8.096 8.130 -0.034 19538 5057 1 9 . 1 1 68 68 GLY N N 68 107.960 107.960 106.777 1.183 19538 5058 1 9 . 1 1 68 68 GLY CA C 68 45.213 45.213 45.816 -0.603 19538 5059 1 9 . 1 1 68 68 GLY H H 68 8.168 8.168 8.436 -0.268 19538 5060 1 9 . 1 1 69 69 ARG N N 69 121.436 121.436 119.681 1.755 19538 5061 1 9 . 1 1 69 69 ARG HA H 69 4.482 4.482 5.123 -0.641 19538 5062 1 9 . 1 1 69 69 ARG CA C 69 54.229 54.229 53.215 1.014 19538 5063 1 9 . 1 1 69 69 ARG CB C 69 30.399 30.399 32.127 -1.728 19538 5064 1 9 . 1 1 69 69 ARG H H 69 8.590 8.590 7.657 0.933 19538 5065 1 9 . 1 1 70 70 THR N N 70 120.709 120.709 120.968 -0.259 19538 5066 1 9 . 1 1 70 70 THR HA H 70 4.298 4.298 4.344 -0.046 19538 5067 1 9 . 1 1 70 70 THR CA C 70 64.365 64.365 62.696 1.669 19538 5068 1 9 . 1 1 70 70 THR CB C 70 68.832 68.832 68.775 0.057 19538 5069 1 9 . 1 1 70 70 THR H H 70 8.822 8.822 8.810 0.012 19538 5070 1 9 . 1 1 71 71 HIS N N 71 127.496 127.496 127.581 -0.085 19538 5071 1 9 . 1 1 71 71 HIS HA H 71 5.138 5.138 4.804 0.334 19538 5072 1 9 . 1 1 71 71 HIS CA C 71 53.948 53.948 55.299 -1.351 19538 5073 1 9 . 1 1 71 71 HIS CB C 71 31.791 31.791 31.047 0.744 19538 5074 1 9 . 1 1 71 71 HIS H H 71 9.384 9.384 9.622 -0.238 19538 5075 1 9 . 1 1 72 72 HIS N N 72 121.684 121.684 127.859 -6.175 19538 5076 1 9 . 1 1 72 72 HIS HA H 72 5.094 5.094 5.171 -0.077 19538 5077 1 9 . 1 1 72 72 HIS CA C 72 54.390 54.390 54.442 -0.052 19538 5078 1 9 . 1 1 72 72 HIS CB C 72 33.961 33.961 30.820 3.141 19538 5079 1 9 . 1 1 72 72 HIS H H 72 9.076 9.076 9.644 -0.568 19538 5080 1 9 . 1 1 73 73 TYR N N 73 121.287 121.287 125.766 -4.479 19538 5081 1 9 . 1 1 73 73 TYR HA H 73 5.305 5.305 5.097 0.208 19538 5082 1 9 . 1 1 73 73 TYR CA C 73 56.017 56.017 57.605 -1.588 19538 5083 1 9 . 1 1 73 73 TYR CB C 73 39.479 39.479 39.197 0.282 19538 5084 1 9 . 1 1 73 73 TYR H H 73 9.305 9.305 9.111 0.194 19538 5085 1 9 . 1 1 74 74 MET N N 74 124.078 124.078 125.295 -1.217 19538 5086 1 9 . 1 1 74 74 MET HA H 74 4.867 4.867 5.512 -0.645 19538 5087 1 9 . 1 1 74 74 MET CA C 74 54.701 54.701 54.213 0.488 19538 5088 1 9 . 1 1 74 74 MET CB C 74 38.007 38.007 36.476 1.531 19538 5089 1 9 . 1 1 74 74 MET H H 74 8.761 8.761 9.665 -0.904 19538 5090 1 9 . 1 1 75 75 ARG N N 75 123.962 123.962 124.901 -0.939 19538 5091 1 9 . 1 1 75 75 ARG HA H 75 5.471 5.471 5.630 -0.159 19538 5092 1 9 . 1 1 75 75 ARG CA C 75 53.340 53.340 54.037 -0.697 19538 5093 1 9 . 1 1 75 75 ARG CB C 75 34.441 34.441 32.510 1.931 19538 5094 1 9 . 1 1 75 75 ARG H H 75 8.427 8.427 8.530 -0.103 19538 5095 1 9 . 1 1 76 76 PHE N N 76 114.935 114.935 118.868 -3.933 19538 5096 1 9 . 1 1 76 76 PHE HA H 76 4.621 4.621 5.076 -0.455 19538 5097 1 9 . 1 1 76 76 PHE CA C 76 55.856 55.856 56.479 -0.623 19538 5098 1 9 . 1 1 76 76 PHE CB C 76 39.167 39.167 41.749 -2.582 19538 5099 1 9 . 1 1 76 76 PHE H H 76 8.296 8.296 8.834 -0.538 19538 5100 1 9 . 1 1 77 77 HIS N N 77 117.830 117.830 119.944 -2.114 19538 5101 1 9 . 1 1 77 77 HIS HA H 77 5.451 5.451 5.412 0.039 19538 5102 1 9 . 1 1 77 77 HIS CA C 77 54.767 54.767 55.370 -0.603 19538 5103 1 9 . 1 1 77 77 HIS CB C 77 31.102 31.102 32.952 -1.850 19538 5104 1 9 . 1 1 77 77 HIS H H 77 9.190 9.190 8.890 0.299 19538 5105 1 9 . 1 1 78 78 VAL N N 78 114.372 114.372 118.680 -4.308 19538 5106 1 9 . 1 1 78 78 VAL HA H 78 5.110 5.110 5.186 -0.076 19538 5107 1 9 . 1 1 78 78 VAL CA C 78 59.653 59.653 59.526 0.126 19538 5108 1 9 . 1 1 78 78 VAL CB C 78 35.073 35.073 36.105 -1.032 19538 5109 1 9 . 1 1 78 78 VAL H H 78 7.860 7.860 9.396 -1.536 19538 5110 1 9 . 1 1 79 79 GLU N N 79 126.076 126.076 124.227 1.849 19538 5111 1 9 . 1 1 79 79 GLU HA H 79 5.400 5.400 5.153 0.247 19538 5112 1 9 . 1 1 79 79 GLU CA C 79 54.316 54.316 55.067 -0.751 19538 5113 1 9 . 1 1 79 79 GLU CB C 79 34.060 34.060 32.474 1.586 19538 5114 1 9 . 1 1 79 79 GLU H H 79 9.213 9.213 9.391 -0.178 19538 5115 1 9 . 1 1 80 80 SER N N 80 124.627 124.627 122.554 2.073 19538 5116 1 9 . 1 1 80 80 SER HA H 80 4.892 4.892 4.636 0.256 19538 5117 1 9 . 1 1 80 80 SER CA C 80 54.930 54.930 57.053 -2.123 19538 5118 1 9 . 1 1 80 80 SER CB C 80 67.503 67.503 63.926 3.577 19538 5119 1 9 . 1 1 80 80 SER H H 80 9.464 9.464 9.503 -0.039 19538 5120 1 9 . 1 1 81 81 LYS N N 81 119.240 119.240 120.327 -1.087 19538 5121 1 9 . 1 1 81 81 LYS HA H 81 4.000 4.000 4.161 -0.161 19538 5122 1 9 . 1 1 81 81 LYS CA C 81 59.099 59.099 58.761 0.338 19538 5123 1 9 . 1 1 81 81 LYS CB C 81 31.721 31.721 32.293 -0.572 19538 5124 1 9 . 1 1 81 81 LYS H H 81 10.052 10.052 8.282 1.770 19538 5125 1 9 . 1 1 82 82 LYS N N 82 114.688 114.688 114.749 -0.061 19538 5126 1 9 . 1 1 82 82 LYS HA H 82 4.365 4.365 4.451 -0.086 19538 5127 1 9 . 1 1 82 82 LYS CA C 82 56.211 56.211 55.965 0.246 19538 5128 1 9 . 1 1 82 82 LYS CB C 82 36.484 36.484 34.758 1.726 19538 5129 1 9 . 1 1 82 82 LYS H H 82 7.782 7.782 8.116 -0.334 19538 5130 1 9 . 1 1 83 83 LYS N N 83 118.992 118.992 119.459 -0.467 19538 5131 1 9 . 1 1 83 83 LYS HA H 83 4.749 4.749 4.570 0.179 19538 5132 1 9 . 1 1 83 83 LYS CA C 83 53.590 53.590 54.914 -1.324 19538 5133 1 9 . 1 1 83 83 LYS CB C 83 39.218 39.218 35.653 3.565 19538 5134 1 9 . 1 1 83 83 LYS H H 83 7.962 7.962 8.040 -0.078 19538 5135 1 9 . 1 1 84 84 ILE N N 84 118.513 118.513 120.638 -2.125 19538 5136 1 9 . 1 1 84 84 ILE HA H 84 4.556 4.556 4.921 -0.365 19538 5137 1 9 . 1 1 84 84 ILE CA C 84 60.643 60.643 60.585 0.058 19538 5138 1 9 . 1 1 84 84 ILE CB C 84 39.946 39.946 38.819 1.127 19538 5139 1 9 . 1 1 84 84 ILE H H 84 7.927 7.927 8.654 -0.727 19538 5140 1 9 . 1 1 85 85 ALA N N 85 127.327 127.327 129.855 -2.528 19538 5141 1 9 . 1 1 85 85 ALA HA H 85 5.048 5.048 5.135 -0.087 19538 5142 1 9 . 1 1 85 85 ALA CA C 85 49.316 49.316 49.668 -0.352 19538 5143 1 9 . 1 1 85 85 ALA CB C 85 24.205 24.205 23.011 1.194 19538 5144 1 9 . 1 1 85 85 ALA H H 85 9.211 9.211 9.348 -0.137 19538 5145 1 9 . 1 1 86 86 LEU N N 86 122.978 122.978 122.956 0.022 19538 5146 1 9 . 1 1 86 86 LEU HA H 86 4.554 4.554 4.345 0.209 19538 5147 1 9 . 1 1 86 86 LEU CA C 86 53.671 53.671 53.116 0.555 19538 5148 1 9 . 1 1 86 86 LEU CB C 86 44.396 44.396 44.768 -0.372 19538 5149 1 9 . 1 1 86 86 LEU H H 86 8.312 8.312 8.765 -0.454 19538 5150 1 9 . 1 1 87 87 VAL N N 87 127.511 127.511 126.563 0.948 19538 5151 1 9 . 1 1 87 87 VAL HA H 87 4.244 4.244 4.453 -0.209 19538 5152 1 9 . 1 1 87 87 VAL CA C 87 60.226 60.226 60.411 -0.185 19538 5153 1 9 . 1 1 87 87 VAL CB C 87 31.609 31.609 33.389 -1.780 19538 5154 1 9 . 1 1 87 87 VAL H H 87 9.017 9.017 8.937 0.080 19538 5155 1 9 . 1 1 88 88 HIS N N 88 124.227 124.227 126.865 -2.638 19538 5156 1 9 . 1 1 88 88 HIS HA H 88 4.687 4.687 5.231 -0.544 19538 5157 1 9 . 1 1 88 88 HIS CA C 88 54.314 54.314 52.486 1.829 19538 5158 1 9 . 1 1 88 88 HIS CB C 88 33.245 33.245 32.329 0.916 19538 5159 1 9 . 1 1 88 88 HIS H H 88 8.104 8.104 8.792 -0.688 19538 5160 1 9 . 1 1 89 89 LEU N N 89 121.992 121.992 128.943 -6.951 19538 5161 1 9 . 1 1 89 89 LEU HA H 89 5.050 5.050 5.103 -0.053 19538 5162 1 9 . 1 1 89 89 LEU CA C 89 52.983 52.983 53.628 -0.645 19538 5163 1 9 . 1 1 89 89 LEU CB C 89 46.355 46.355 46.584 -0.229 19538 5164 1 9 . 1 1 89 89 LEU H H 89 8.600 8.600 9.734 -1.134 19538 5165 1 9 . 1 1 90 90 GLU N N 90 121.551 121.551 125.350 -3.799 19538 5166 1 9 . 1 1 90 90 GLU HA H 90 5.253 5.253 5.817 -0.564 19538 5167 1 9 . 1 1 90 90 GLU CA C 90 53.422 53.422 54.402 -0.980 19538 5168 1 9 . 1 1 90 90 GLU CB C 90 33.238 33.238 33.311 -0.073 19538 5169 1 9 . 1 1 90 90 GLU H H 90 8.816 8.816 9.552 -0.736 19538 5170 1 9 . 1 1 91 91 ALA N N 91 128.266 128.266 127.250 1.016 19538 5171 1 9 . 1 1 91 91 ALA HA H 91 5.385 5.385 5.492 -0.107 19538 5172 1 9 . 1 1 91 91 ALA CA C 91 49.164 49.164 49.895 -0.731 19538 5173 1 9 . 1 1 91 91 ALA CB C 91 23.227 23.227 23.159 0.068 19538 5174 1 9 . 1 1 91 91 ALA H H 91 9.287 9.287 9.193 0.094 19538 5175 1 9 . 1 1 92 92 LYS N N 92 121.573 121.573 120.833 0.740 19538 5176 1 9 . 1 1 92 92 LYS HA H 92 4.884 4.884 5.330 -0.446 19538 5177 1 9 . 1 1 92 92 LYS CA C 92 54.365 54.365 53.617 0.748 19538 5178 1 9 . 1 1 92 92 LYS CB C 92 36.427 36.427 34.384 2.043 19538 5179 1 9 . 1 1 92 92 LYS H H 92 9.160 9.160 8.996 0.164 19538 5180 1 9 . 1 1 93 93 GLU N N 93 127.022 127.022 126.695 0.327 19538 5181 1 9 . 1 1 93 93 GLU HA H 93 4.145 4.145 4.051 0.094 19538 5182 1 9 . 1 1 93 93 GLU CA C 93 56.227 56.227 57.088 -0.861 19538 5183 1 9 . 1 1 93 93 GLU CB C 93 30.986 30.986 30.116 0.871 19538 5184 1 9 . 1 1 93 93 GLU H H 93 8.525 8.525 8.787 -0.262 19538 5185 1 9 . 1 1 94 94 SER N N 94 120.676 120.676 120.363 0.313 19538 5186 1 9 . 1 1 94 94 SER HA H 94 4.416 4.416 4.277 0.139 19538 5187 1 9 . 1 1 94 94 SER CA C 94 57.241 57.241 59.497 -2.256 19538 5188 1 9 . 1 1 94 94 SER CB C 94 63.634 63.634 64.139 -0.506 19538 5189 1 9 . 1 1 94 94 SER H H 94 8.877 8.877 8.384 0.493 19538 5190 1 9 . 1 1 95 95 LYS HA H 95 4.212 4.212 4.097 0.115 19538 5191 1 9 . 1 1 95 95 LYS CA C 95 56.036 56.036 58.204 -2.168 19538 5192 1 9 . 1 1 95 95 LYS CB C 95 33.113 33.113 32.164 0.949 19538 5193 1 9 . 1 1 96 96 GLN N N 96 118.641 118.641 116.312 2.329 19538 5194 1 9 . 1 1 96 96 GLN HA H 96 4.140 4.140 4.297 -0.157 19538 5195 1 9 . 1 1 96 96 GLN CA C 96 56.338 56.338 55.551 0.787 19538 5196 1 9 . 1 1 96 96 GLN CB C 96 28.958 28.958 29.564 -0.606 19538 5197 1 9 . 1 1 96 96 GLN H H 96 8.335 8.335 7.953 0.382 19538 5198 1 9 . 1 1 97 97 ASN N N 97 116.545 116.545 117.575 -1.030 19538 5199 1 9 . 1 1 97 97 ASN HA H 97 4.511 4.511 4.773 -0.262 19538 5200 1 9 . 1 1 97 97 ASN CA C 97 53.163 53.163 52.249 0.914 19538 5201 1 9 . 1 1 97 97 ASN CB C 97 38.370 38.370 39.325 -0.956 19538 5202 1 9 . 1 1 97 97 ASN H H 97 8.199 8.199 7.810 0.389 19538 5203 1 9 . 1 1 98 98 TYR N N 98 119.134 119.134 122.709 -3.575 19538 5204 1 9 . 1 1 98 98 TYR HA H 98 4.482 4.482 4.209 0.273 19538 5205 1 9 . 1 1 98 98 TYR CA C 98 57.458 57.458 60.445 -2.987 19538 5206 1 9 . 1 1 98 98 TYR CB C 98 38.539 38.539 38.573 -0.034 19538 5207 1 9 . 1 1 98 98 TYR H H 98 7.918 7.918 8.776 -0.858 19538 5208 1 9 . 1 1 99 99 GLN N N 99 119.975 119.975 118.742 1.233 19538 5209 1 9 . 1 1 99 99 GLN HA H 99 4.440 4.440 4.559 -0.119 19538 5210 1 9 . 1 1 99 99 GLN CA C 99 53.092 53.092 53.179 -0.088 19538 5211 1 9 . 1 1 99 99 GLN CB C 99 27.891 27.891 28.584 -0.693 19538 5212 1 9 . 1 1 99 99 GLN H H 99 7.992 7.992 8.035 -0.043 19538 5213 1 9 . 1 1 100 100 PRO HA H 100 4.294 4.294 4.210 0.084 19538 5214 1 9 . 1 1 100 100 PRO CA C 100 62.415 62.415 62.241 0.174 19538 5215 1 9 . 1 1 100 100 PRO CB C 100 32.538 32.538 31.817 0.721 19538 5216 1 9 . 1 1 101 101 ASP N N 101 120.964 120.964 121.787 -0.823 19538 5217 1 9 . 1 1 101 101 ASP HA H 101 4.654 4.654 4.454 0.200 19538 5218 1 9 . 1 1 101 101 ASP CA C 101 52.845 52.845 53.833 -0.988 19538 5219 1 9 . 1 1 101 101 ASP CB C 101 42.316 42.316 41.328 0.988 19538 5220 1 9 . 1 1 101 101 ASP H H 101 8.225 8.225 8.770 -0.545 19538 5221 1 9 . 1 1 102 102 PHE N N 102 122.913 122.913 121.867 1.046 19538 5222 1 9 . 1 1 102 102 PHE HA H 102 4.642 4.642 4.610 0.032 19538 5223 1 9 . 1 1 102 102 PHE CA C 102 57.341 57.341 58.666 -1.325 19538 5224 1 9 . 1 1 102 102 PHE CB C 102 38.576 38.576 37.516 1.060 19538 5225 1 9 . 1 1 102 102 PHE H H 102 9.014 9.014 8.397 0.617 19538 5226 1 9 . 1 1 103 103 ILE N N 103 117.131 117.131 124.205 -7.074 19538 5227 1 9 . 1 1 103 103 ILE HA H 103 4.464 4.464 3.731 0.733 19538 5228 1 9 . 1 1 103 103 ILE CA C 103 60.346 60.346 64.145 -3.799 19538 5229 1 9 . 1 1 103 103 ILE CB C 103 39.243 39.243 38.368 0.875 19538 5230 1 9 . 1 1 103 103 ILE H H 103 8.765 8.765 8.521 0.244 19538 5231 1 9 . 1 1 104 104 ASN N N 104 117.264 117.264 115.120 2.144 19538 5232 1 9 . 1 1 104 104 ASN HA H 104 4.913 4.913 5.240 -0.327 19538 5233 1 9 . 1 1 104 104 ASN CA C 104 52.710 52.710 52.655 0.055 19538 5234 1 9 . 1 1 104 104 ASN CB C 104 41.361 41.361 42.444 -1.083 19538 5235 1 9 . 1 1 104 104 ASN H H 104 7.441 7.441 8.038 -0.597 19538 5236 1 9 . 1 1 105 105 MET N N 105 125.685 125.685 120.386 5.299 19538 5237 1 9 . 1 1 105 105 MET HA H 105 5.484 5.484 5.373 0.111 19538 5238 1 9 . 1 1 105 105 MET CA C 105 56.071 56.071 55.337 0.734 19538 5239 1 9 . 1 1 105 105 MET CB C 105 34.514 34.514 34.988 -0.474 19538 5240 1 9 . 1 1 105 105 MET H H 105 9.244 9.244 9.090 0.154 19538 5241 1 9 . 1 1 106 106 TYR N N 106 125.856 125.856 120.530 5.326 19538 5242 1 9 . 1 1 106 106 TYR HA H 106 5.438 5.438 5.531 -0.093 19538 5243 1 9 . 1 1 106 106 TYR CA C 106 54.552 54.552 55.190 -0.638 19538 5244 1 9 . 1 1 106 106 TYR CB C 106 40.104 40.104 41.069 -0.966 19538 5245 1 9 . 1 1 106 106 TYR H H 106 8.893 8.893 8.953 -0.060 19538 5246 1 9 . 1 1 107 107 VAL N N 107 117.033 117.033 119.923 -2.890 19538 5247 1 9 . 1 1 107 107 VAL HA H 107 4.957 4.957 4.713 0.244 19538 5248 1 9 . 1 1 107 107 VAL CA C 107 60.008 60.008 60.666 -0.658 19538 5249 1 9 . 1 1 107 107 VAL CB C 107 35.319 35.319 34.411 0.908 19538 5250 1 9 . 1 1 107 107 VAL H H 107 9.041 9.041 9.337 -0.296 19538 5251 1 9 . 1 1 108 108 ASP N N 108 129.995 129.995 128.865 1.130 19538 5252 1 9 . 1 1 108 108 ASP HA H 108 5.240 5.240 4.950 0.290 19538 5253 1 9 . 1 1 108 108 ASP CA C 108 52.975 52.975 51.976 0.999 19538 5254 1 9 . 1 1 108 108 ASP CB C 108 42.245 42.245 42.236 0.009 19538 5255 1 9 . 1 1 108 108 ASP H H 108 9.382 9.382 9.361 0.021 19538 5256 1 9 . 1 1 109 109 VAL N N 109 129.641 129.641 127.542 2.099 19538 5257 1 9 . 1 1 109 109 VAL HA H 109 4.464 4.464 4.309 0.155 19538 5258 1 9 . 1 1 109 109 VAL CA C 109 58.694 58.694 59.063 -0.369 19538 5259 1 9 . 1 1 109 109 VAL CB C 109 33.061 33.061 33.299 -0.238 19538 5260 1 9 . 1 1 109 109 VAL H H 109 9.181 9.181 7.984 1.197 19538 5261 1 9 . 1 1 110 110 PRO HA H 110 4.288 4.288 4.449 -0.161 19538 5262 1 9 . 1 1 110 110 PRO CA C 110 64.107 64.107 63.214 0.893 19538 5263 1 9 . 1 1 110 110 PRO CB C 110 31.557 31.557 32.526 -0.969 19538 5264 1 9 . 1 1 111 111 GLY N N 111 112.873 112.873 112.273 0.600 19538 5265 1 9 . 1 1 111 111 GLY CA C 111 44.872 44.872 45.839 -0.967 19538 5266 1 9 . 1 1 111 111 GLY H H 111 8.839 8.839 8.697 0.142 19538 5267 1 9 . 1 1 112 112 GLU N N 112 118.157 118.157 121.391 -3.234 19538 5268 1 9 . 1 1 112 112 GLU HA H 112 4.858 4.858 4.527 0.331 19538 5269 1 9 . 1 1 112 112 GLU CA C 112 52.732 52.732 55.377 -2.645 19538 5270 1 9 . 1 1 112 112 GLU CB C 112 31.513 31.513 30.720 0.793 19538 5271 1 9 . 1 1 112 112 GLU H H 112 8.136 8.136 8.165 -0.029 19538 5272 1 9 . 1 1 113 113 LYS N N 113 121.944 121.944 122.602 -0.658 19538 5273 1 9 . 1 1 113 113 LYS HA H 113 4.208 4.208 4.318 -0.110 19538 5274 1 9 . 1 1 113 113 LYS CA C 113 55.810 55.810 55.507 0.303 19538 5275 1 9 . 1 1 113 113 LYS CB C 113 32.157 32.157 32.571 -0.414 19538 5276 1 9 . 1 1 113 113 LYS H H 113 8.847 8.847 8.488 0.359 19538 5277 1 9 . 1 1 114 114 ARG N N 114 126.520 126.520 121.045 5.475 19538 5278 1 9 . 1 1 114 114 ARG HA H 114 4.064 4.064 4.527 -0.463 19538 5279 1 9 . 1 1 114 114 ARG CA C 114 57.914 57.914 55.825 2.089 19538 5280 1 9 . 1 1 114 114 ARG CB C 114 30.627 30.627 30.882 -0.255 19538 5281 1 9 . 1 1 114 114 ARG H H 114 8.539 8.539 8.247 0.292 19538 5282 1 9 . 1 1 115 115 TYR N N 115 128.478 128.478 124.881 3.597 19538 5283 1 9 . 1 1 115 115 TYR HA H 115 4.671 4.671 4.827 -0.156 19538 5284 1 9 . 1 1 115 115 TYR CA C 115 56.519 56.519 56.938 -0.419 19538 5285 1 9 . 1 1 115 115 TYR CB C 115 40.193 40.193 42.141 -1.948 19538 5286 1 9 . 1 1 115 115 TYR H H 115 8.333 8.333 9.299 -0.966 19538 5287 1 9 . 1 1 116 116 TYR N N 116 127.101 127.101 128.175 -1.074 19538 5288 1 9 . 1 1 116 116 TYR HA H 116 4.553 4.553 4.805 -0.252 19538 5289 1 9 . 1 1 116 116 TYR CA C 116 58.502 58.502 58.101 0.401 19538 5290 1 9 . 1 1 116 116 TYR CB C 116 38.842 38.842 37.321 1.521 19538 5291 1 9 . 1 1 116 116 TYR H H 116 8.740 8.740 8.924 -0.184 19538 5292 1 9 . 1 1 117 117 LEU N N 117 125.574 125.574 127.293 -1.719 19538 5293 1 9 . 1 1 117 117 LEU HA H 117 4.394 4.394 4.420 -0.026 19538 5294 1 9 . 1 1 117 117 LEU CA C 117 57.384 57.384 57.108 0.276 19538 5295 1 9 . 1 1 117 117 LEU CB C 117 43.272 43.272 42.870 0.402 19538 5296 1 9 . 1 1 117 117 LEU H H 117 8.427 8.427 8.602 -0.175 19538 5297 1 9 . 1 1 118 118 ILE N N 118 118.478 118.478 118.942 -0.464 19538 5298 1 9 . 1 1 118 118 ILE HA H 118 4.199 4.199 4.267 -0.068 19538 5299 1 9 . 1 1 118 118 ILE CA C 118 60.074 60.074 60.242 -0.168 19538 5300 1 9 . 1 1 118 118 ILE CB C 118 40.895 40.895 40.170 0.725 19538 5301 1 9 . 1 1 118 118 ILE H H 118 7.983 7.983 8.282 -0.299 19538 5302 1 9 . 1 1 119 119 LYS N N 119 127.589 127.589 128.187 -0.598 19538 5303 1 9 . 1 1 119 119 LYS HA H 119 4.778 4.778 4.725 0.053 19538 5304 1 9 . 1 1 119 119 LYS CA C 119 53.232 53.232 52.682 0.550 19538 5305 1 9 . 1 1 119 119 LYS CB C 119 32.581 32.581 31.344 1.237 19538 5306 1 9 . 1 1 119 119 LYS H H 119 8.550 8.550 8.567 -0.017 19538 5307 1 9 . 1 1 120 120 PRO HA H 120 4.534 4.534 4.764 -0.230 19538 5308 1 9 . 1 1 120 120 PRO CA C 120 62.395 62.395 61.982 0.413 19538 5309 1 9 . 1 1 120 120 PRO CB C 120 32.059 32.059 32.478 -0.420 19538 5310 1 9 . 1 1 121 121 LYS N N 121 122.191 122.191 122.974 -0.783 19538 5311 1 9 . 1 1 121 121 LYS HA H 121 4.136 4.136 4.130 0.006 19538 5312 1 9 . 1 1 121 121 LYS CA C 121 55.840 55.840 55.849 -0.009 19538 5313 1 9 . 1 1 121 121 LYS CB C 121 33.162 33.162 29.213 3.949 19538 5314 1 9 . 1 1 121 121 LYS H H 121 8.406 8.406 8.780 -0.374 19538 5315 1 9 . 1 1 122 122 LEU N N 122 122.972 122.972 121.282 1.690 19538 5316 1 9 . 1 1 122 122 LEU HA H 122 4.219 4.219 4.064 0.155 19538 5317 1 9 . 1 1 122 122 LEU CA C 122 54.494 54.494 56.703 -2.209 19538 5318 1 9 . 1 1 122 122 LEU CB C 122 41.990 41.990 42.126 -0.136 19538 5319 1 9 . 1 1 122 122 LEU H H 122 8.158 8.158 8.994 -0.836 19538 5320 1 9 . 1 1 123 123 HIS N N 123 121.608 121.608 113.408 8.200 19538 5321 1 9 . 1 1 123 123 HIS HA H 123 4.776 4.776 4.400 0.376 19538 5322 1 9 . 1 1 123 123 HIS CA C 123 53.651 53.651 55.650 -1.999 19538 5323 1 9 . 1 1 123 123 HIS CB C 123 30.145 30.145 28.630 1.516 19538 5324 1 9 . 1 1 123 123 HIS H H 123 8.172 8.172 7.967 0.205 19538 5325 1 9 . 1 1 124 124 PRO HA H 124 4.085 4.085 4.271 -0.186 19538 5326 1 9 . 1 1 124 124 PRO CA C 124 62.119 62.119 63.905 -1.786 19538 5327 1 9 . 1 1 124 124 PRO CB C 124 33.900 33.900 32.340 1.560 19538 5328 1 9 . 1 1 125 125 VAL N N 125 120.758 120.758 120.352 0.406 19538 5329 1 9 . 1 1 125 125 VAL HA H 125 4.085 4.085 4.219 -0.134 19538 5330 1 9 . 1 1 125 125 VAL CA C 125 61.791 61.791 61.633 0.158 19538 5331 1 9 . 1 1 125 125 VAL CB C 125 32.635 32.635 33.343 -0.708 19538 5332 1 9 . 1 1 125 125 VAL H H 125 8.361 8.361 7.937 0.424 19538 5333 1 9 . 1 1 126 126 SER N N 126 119.450 119.450 120.310 -0.860 19538 5334 1 9 . 1 1 126 126 SER HA H 126 4.417 4.417 4.038 0.379 19538 5335 1 9 . 1 1 126 126 SER CA C 126 57.522 57.522 60.035 -2.513 19538 5336 1 9 . 1 1 126 126 SER CB C 126 63.634 63.634 62.783 0.851 19538 5337 1 9 . 1 1 126 126 SER H H 126 8.323 8.323 8.809 -0.486 19538 5338 1 10 . 1 1 2 2 ALA N N 2 122.815 122.815 122.872 -0.057 19538 5339 1 10 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.158 0.135 19538 5340 1 10 . 1 1 2 2 ALA CA C 2 52.085 52.085 53.519 -1.434 19538 5341 1 10 . 1 1 2 2 ALA CB C 2 19.067 19.067 19.100 -0.033 19538 5342 1 10 . 1 1 2 2 ALA H H 2 8.102 8.102 8.244 -0.142 19538 5343 1 10 . 1 1 3 3 MET N N 3 119.897 119.897 118.113 1.784 19538 5344 1 10 . 1 1 3 3 MET HA H 3 4.401 4.401 4.040 0.361 19538 5345 1 10 . 1 1 3 3 MET CA C 3 55.339 55.339 57.417 -2.079 19538 5346 1 10 . 1 1 3 3 MET CB C 3 32.938 32.938 30.415 2.523 19538 5347 1 10 . 1 1 3 3 MET H H 3 8.501 8.501 8.308 0.193 19538 5348 1 10 . 1 1 4 4 GLY N N 4 110.174 110.174 106.189 3.985 19538 5349 1 10 . 1 1 4 4 GLY CA C 4 44.706 44.706 45.358 -0.652 19538 5350 1 10 . 1 1 4 4 GLY H H 4 8.498 8.498 8.589 -0.091 19538 5351 1 10 . 1 1 5 5 SER HA H 5 4.368 4.368 4.089 0.279 19538 5352 1 10 . 1 1 5 5 SER CA C 5 58.467 58.467 58.187 0.280 19538 5353 1 10 . 1 1 5 5 SER CB C 5 63.530 63.530 60.558 2.972 19538 5354 1 10 . 1 1 6 6 GLY CA C 6 45.983 45.983 47.305 -1.322 19538 5355 1 10 . 1 1 7 7 ASP N N 7 122.649 122.649 120.821 1.828 19538 5356 1 10 . 1 1 7 7 ASP HA H 7 4.375 4.375 4.394 -0.019 19538 5357 1 10 . 1 1 7 7 ASP CA C 7 56.523 56.523 57.514 -0.991 19538 5358 1 10 . 1 1 7 7 ASP CB C 7 40.235 40.235 39.348 0.887 19538 5359 1 10 . 1 1 7 7 ASP H H 7 8.457 8.457 8.869 -0.412 19538 5360 1 10 . 1 1 8 8 THR N N 8 116.751 116.751 117.841 -1.090 19538 5361 1 10 . 1 1 8 8 THR HA H 8 3.853 3.853 4.059 -0.206 19538 5362 1 10 . 1 1 8 8 THR CA C 8 66.104 66.104 66.834 -0.730 19538 5363 1 10 . 1 1 8 8 THR CB C 8 68.047 68.047 68.690 -0.643 19538 5364 1 10 . 1 1 8 8 THR H H 8 8.128 8.128 7.828 0.300 19538 5365 1 10 . 1 1 9 9 GLN N N 9 120.186 120.186 121.471 -1.285 19538 5366 1 10 . 1 1 9 9 GLN HA H 9 4.038 4.038 4.104 -0.066 19538 5367 1 10 . 1 1 9 9 GLN CA C 9 58.699 58.699 59.355 -0.656 19538 5368 1 10 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.648 -0.548 19538 5369 1 10 . 1 1 9 9 GLN H H 9 7.831 7.831 9.033 -1.202 19538 5370 1 10 . 1 1 10 10 LEU N N 10 120.735 120.735 120.058 0.677 19538 5371 1 10 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.196 -0.279 19538 5372 1 10 . 1 1 10 10 LEU CA C 10 58.126 58.126 58.181 -0.056 19538 5373 1 10 . 1 1 10 10 LEU CB C 10 41.935 41.935 41.152 0.783 19538 5374 1 10 . 1 1 10 10 LEU H H 10 7.670 7.670 8.948 -1.278 19538 5375 1 10 . 1 1 11 11 PHE N N 11 117.802 117.802 121.347 -3.545 19538 5376 1 10 . 1 1 11 11 PHE HA H 11 3.821 3.821 3.970 -0.149 19538 5377 1 10 . 1 1 11 11 PHE CA C 11 60.224 60.224 61.596 -1.373 19538 5378 1 10 . 1 1 11 11 PHE CB C 11 38.798 38.798 38.935 -0.137 19538 5379 1 10 . 1 1 11 11 PHE H H 11 7.939 7.939 9.184 -1.245 19538 5380 1 10 . 1 1 12 12 ASN N N 12 117.152 117.152 118.367 -1.215 19538 5381 1 10 . 1 1 12 12 ASN HA H 12 3.868 3.868 4.015 -0.147 19538 5382 1 10 . 1 1 12 12 ASN CA C 12 55.410 55.410 56.537 -1.127 19538 5383 1 10 . 1 1 12 12 ASN CB C 12 37.188 37.188 38.049 -0.861 19538 5384 1 10 . 1 1 12 12 ASN H H 12 8.562 8.562 8.908 -0.346 19538 5385 1 10 . 1 1 13 13 ARG N N 13 119.825 119.825 121.092 -1.267 19538 5386 1 10 . 1 1 13 13 ARG HA H 13 3.914 3.914 4.008 -0.094 19538 5387 1 10 . 1 1 13 13 ARG CA C 13 58.623 58.623 59.606 -0.983 19538 5388 1 10 . 1 1 13 13 ARG CB C 13 31.719 31.719 30.202 1.517 19538 5389 1 10 . 1 1 13 13 ARG H H 13 8.006 8.006 8.568 -0.562 19538 5390 1 10 . 1 1 14 14 ALA N N 14 122.749 122.749 122.813 -0.064 19538 5391 1 10 . 1 1 14 14 ALA HA H 14 3.938 3.938 3.977 -0.039 19538 5392 1 10 . 1 1 14 14 ALA CA C 14 54.976 54.976 55.122 -0.146 19538 5393 1 10 . 1 1 14 14 ALA CB C 14 19.446 19.446 18.610 0.836 19538 5394 1 10 . 1 1 14 14 ALA H H 14 8.163 8.163 8.545 -0.382 19538 5395 1 10 . 1 1 15 15 VAL N N 15 118.460 118.460 118.338 0.122 19538 5396 1 10 . 1 1 15 15 VAL HA H 15 3.219 3.219 3.537 -0.318 19538 5397 1 10 . 1 1 15 15 VAL CA C 15 66.611 66.611 66.280 0.331 19538 5398 1 10 . 1 1 15 15 VAL CB C 15 30.889 30.889 31.256 -0.367 19538 5399 1 10 . 1 1 15 15 VAL H H 15 8.718 8.718 8.579 0.139 19538 5400 1 10 . 1 1 16 16 SER N N 16 113.102 113.102 115.688 -2.586 19538 5401 1 10 . 1 1 16 16 SER HA H 16 4.144 4.144 4.065 0.079 19538 5402 1 10 . 1 1 16 16 SER CA C 16 60.888 60.888 62.256 -1.368 19538 5403 1 10 . 1 1 16 16 SER CB C 16 62.503 62.503 62.926 -0.423 19538 5404 1 10 . 1 1 16 16 SER H H 16 7.243 7.243 8.467 -1.224 19538 5405 1 10 . 1 1 17 17 MET N N 17 117.447 117.447 119.902 -2.455 19538 5406 1 10 . 1 1 17 17 MET HA H 17 3.875 3.875 4.017 -0.142 19538 5407 1 10 . 1 1 17 17 MET CA C 17 58.575 58.575 59.145 -0.570 19538 5408 1 10 . 1 1 17 17 MET CB C 17 33.489 33.489 32.650 0.839 19538 5409 1 10 . 1 1 17 17 MET H H 17 7.232 7.232 7.902 -0.670 19538 5410 1 10 . 1 1 18 18 VAL N N 18 117.842 117.842 116.167 1.675 19538 5411 1 10 . 1 1 18 18 VAL HA H 18 3.357 3.357 3.781 -0.424 19538 5412 1 10 . 1 1 18 18 VAL CA C 18 66.065 66.065 65.841 0.224 19538 5413 1 10 . 1 1 18 18 VAL CB C 18 31.686 31.686 31.122 0.564 19538 5414 1 10 . 1 1 18 18 VAL H H 18 7.678 7.678 7.995 -0.317 19538 5415 1 10 . 1 1 19 19 GLU N N 19 113.150 113.150 118.725 -5.575 19538 5416 1 10 . 1 1 19 19 GLU HA H 19 3.618 3.618 3.994 -0.376 19538 5417 1 10 . 1 1 19 19 GLU CA C 19 58.198 58.198 59.160 -0.962 19538 5418 1 10 . 1 1 19 19 GLU CB C 19 29.786 29.786 29.791 -0.005 19538 5419 1 10 . 1 1 19 19 GLU H H 19 8.378 8.378 8.466 -0.088 19538 5420 1 10 . 1 1 20 20 LYS N N 20 114.076 114.076 113.589 0.487 19538 5421 1 10 . 1 1 20 20 LYS HA H 20 4.243 4.243 4.378 -0.135 19538 5422 1 10 . 1 1 20 20 LYS CA C 20 55.725 55.725 54.836 0.889 19538 5423 1 10 . 1 1 20 20 LYS CB C 20 33.032 33.032 32.640 0.392 19538 5424 1 10 . 1 1 20 20 LYS H H 20 7.072 7.072 7.804 -0.732 19538 5425 1 10 . 1 1 21 21 ASN N N 21 121.025 121.025 121.026 -0.001 19538 5426 1 10 . 1 1 21 21 ASN HA H 21 4.555 4.555 4.529 0.026 19538 5427 1 10 . 1 1 21 21 ASN CA C 21 53.766 53.766 52.672 1.094 19538 5428 1 10 . 1 1 21 21 ASN CB C 21 39.835 39.835 39.181 0.654 19538 5429 1 10 . 1 1 21 21 ASN H H 21 7.230 7.230 7.627 -0.397 19538 5430 1 10 . 1 1 22 22 LYS N N 22 128.112 128.112 127.672 0.440 19538 5431 1 10 . 1 1 22 22 LYS HA H 22 3.698 3.698 3.908 -0.210 19538 5432 1 10 . 1 1 22 22 LYS CA C 22 59.519 59.519 59.622 -0.103 19538 5433 1 10 . 1 1 22 22 LYS CB C 22 32.140 32.140 31.477 0.662 19538 5434 1 10 . 1 1 22 22 LYS H H 22 8.846 8.846 8.813 0.033 19538 5435 1 10 . 1 1 23 23 ASP N N 23 120.250 120.250 120.549 -0.299 19538 5436 1 10 . 1 1 23 23 ASP HA H 23 4.297 4.297 4.406 -0.109 19538 5437 1 10 . 1 1 23 23 ASP CA C 23 56.787 56.787 57.119 -0.332 19538 5438 1 10 . 1 1 23 23 ASP CB C 23 39.444 39.444 40.097 -0.653 19538 5439 1 10 . 1 1 23 23 ASP H H 23 7.731 7.731 8.660 -0.929 19538 5440 1 10 . 1 1 24 24 ILE N N 24 121.988 121.988 120.824 1.164 19538 5441 1 10 . 1 1 24 24 ILE HA H 24 3.219 3.219 3.253 -0.034 19538 5442 1 10 . 1 1 24 24 ILE CA C 24 63.375 63.375 65.312 -1.937 19538 5443 1 10 . 1 1 24 24 ILE CB C 24 35.424 35.424 37.632 -2.208 19538 5444 1 10 . 1 1 24 24 ILE H H 24 8.431 8.431 7.381 1.050 19538 5445 1 10 . 1 1 25 25 ARG N N 25 118.181 118.181 120.437 -2.256 19538 5446 1 10 . 1 1 25 25 ARG HA H 25 3.810 3.810 3.909 -0.099 19538 5447 1 10 . 1 1 25 25 ARG CA C 25 60.546 60.546 60.130 0.416 19538 5448 1 10 . 1 1 25 25 ARG CB C 25 30.205 30.205 29.971 0.234 19538 5449 1 10 . 1 1 25 25 ARG H H 25 8.206 8.206 8.884 -0.678 19538 5450 1 10 . 1 1 26 26 SER N N 26 112.549 112.549 115.826 -3.277 19538 5451 1 10 . 1 1 26 26 SER HA H 26 4.373 4.373 4.144 0.229 19538 5452 1 10 . 1 1 26 26 SER CA C 26 61.040 61.040 62.382 -1.342 19538 5453 1 10 . 1 1 26 26 SER CB C 26 62.096 62.096 62.858 -0.762 19538 5454 1 10 . 1 1 26 26 SER H H 26 7.518 7.518 8.355 -0.837 19538 5455 1 10 . 1 1 27 27 LEU N N 27 125.275 125.275 122.314 2.961 19538 5456 1 10 . 1 1 27 27 LEU HA H 27 4.013 4.013 3.996 0.017 19538 5457 1 10 . 1 1 27 27 LEU CA C 27 57.652 57.652 57.819 -0.167 19538 5458 1 10 . 1 1 27 27 LEU CB C 27 42.548 42.548 42.038 0.510 19538 5459 1 10 . 1 1 27 27 LEU H H 27 8.050 8.050 8.021 0.029 19538 5460 1 10 . 1 1 28 28 LEU N N 28 114.725 114.725 115.355 -0.630 19538 5461 1 10 . 1 1 28 28 LEU HA H 28 3.863 3.863 4.274 -0.411 19538 5462 1 10 . 1 1 28 28 LEU CA C 28 54.299 54.299 54.660 -0.361 19538 5463 1 10 . 1 1 28 28 LEU CB C 28 42.874 42.874 41.373 1.502 19538 5464 1 10 . 1 1 28 28 LEU H H 28 8.010 8.010 8.521 -0.511 19538 5465 1 10 . 1 1 29 29 GLN N N 29 116.444 116.444 114.378 2.066 19538 5466 1 10 . 1 1 29 29 GLN HA H 29 3.854 3.854 3.942 -0.088 19538 5467 1 10 . 1 1 29 29 GLN CA C 29 55.652 55.652 56.682 -1.030 19538 5468 1 10 . 1 1 29 29 GLN CB C 29 25.300 25.300 25.511 -0.211 19538 5469 1 10 . 1 1 29 29 GLN H H 29 7.972 7.972 7.947 0.025 19538 5470 1 10 . 1 1 30 30 CYS N N 30 116.363 116.363 120.229 -3.866 19538 5471 1 10 . 1 1 30 30 CYS HA H 30 4.133 4.133 4.115 0.018 19538 5472 1 10 . 1 1 30 30 CYS CA C 30 61.559 61.559 60.930 0.629 19538 5473 1 10 . 1 1 30 30 CYS CB C 30 27.701 27.701 25.325 2.376 19538 5474 1 10 . 1 1 30 30 CYS H H 30 7.847 7.847 8.964 -1.117 19538 5475 1 10 . 1 1 31 31 ASP N N 31 125.091 125.091 124.418 0.673 19538 5476 1 10 . 1 1 31 31 ASP HA H 31 4.598 4.598 4.593 0.005 19538 5477 1 10 . 1 1 31 31 ASP CA C 31 52.428 52.428 54.797 -2.369 19538 5478 1 10 . 1 1 31 31 ASP CB C 31 39.156 39.156 41.917 -2.761 19538 5479 1 10 . 1 1 31 31 ASP H H 31 9.918 9.918 8.886 1.032 19538 5480 1 10 . 1 1 32 32 ASP N N 32 124.593 124.593 115.956 8.637 19538 5481 1 10 . 1 1 32 32 ASP HA H 32 5.131 5.131 4.722 0.409 19538 5482 1 10 . 1 1 32 32 ASP CA C 32 52.190 52.190 54.831 -2.641 19538 5483 1 10 . 1 1 32 32 ASP CB C 32 41.542 41.542 43.206 -1.664 19538 5484 1 10 . 1 1 32 32 ASP H H 32 7.532 7.532 8.441 -0.909 19538 5485 1 10 . 1 1 33 33 GLY N N 33 109.888 109.888 113.234 -3.346 19538 5486 1 10 . 1 1 33 33 GLY CA C 33 44.840 44.840 47.030 -2.190 19538 5487 1 10 . 1 1 33 33 GLY H H 33 7.912 7.912 8.850 -0.938 19538 5488 1 10 . 1 1 34 34 ILE HA H 34 3.978 3.978 4.041 -0.063 19538 5489 1 10 . 1 1 34 34 ILE CA C 34 63.210 63.210 63.945 -0.735 19538 5490 1 10 . 1 1 34 34 ILE CB C 34 38.027 38.027 38.343 -0.316 19538 5491 1 10 . 1 1 35 35 THR N N 35 109.823 109.823 112.460 -2.637 19538 5492 1 10 . 1 1 35 35 THR HA H 35 4.291 4.291 4.410 -0.119 19538 5493 1 10 . 1 1 35 35 THR CA C 35 61.511 61.511 60.697 0.814 19538 5494 1 10 . 1 1 35 35 THR CB C 35 68.374 68.374 67.607 0.767 19538 5495 1 10 . 1 1 35 35 THR H H 35 7.995 7.995 7.806 0.189 19538 5496 1 10 . 1 1 36 36 GLY N N 36 109.916 109.916 109.843 0.073 19538 5497 1 10 . 1 1 36 36 GLY CA C 36 44.282 44.282 44.884 -0.602 19538 5498 1 10 . 1 1 36 36 GLY H H 36 7.564 7.564 7.297 0.267 19538 5499 1 10 . 1 1 37 37 LYS N N 37 119.833 119.833 121.610 -1.777 19538 5500 1 10 . 1 1 37 37 LYS HA H 37 4.442 4.442 4.790 -0.348 19538 5501 1 10 . 1 1 37 37 LYS CA C 37 54.520 54.520 55.473 -0.953 19538 5502 1 10 . 1 1 37 37 LYS CB C 37 33.208 33.208 34.226 -1.018 19538 5503 1 10 . 1 1 37 37 LYS H H 37 8.236 8.236 8.340 -0.104 19538 5504 1 10 . 1 1 38 38 GLU N N 38 125.697 125.697 123.767 1.930 19538 5505 1 10 . 1 1 38 38 GLU HA H 38 3.907 3.907 4.296 -0.389 19538 5506 1 10 . 1 1 38 38 GLU CA C 38 56.731 56.731 56.660 0.071 19538 5507 1 10 . 1 1 38 38 GLU CB C 38 29.779 29.779 30.760 -0.981 19538 5508 1 10 . 1 1 38 38 GLU H H 38 8.175 8.175 8.656 -0.481 19538 5509 1 10 . 1 1 39 39 ARG N N 39 128.738 128.738 120.143 8.595 19538 5510 1 10 . 1 1 39 39 ARG HA H 39 4.260 4.260 4.506 -0.246 19538 5511 1 10 . 1 1 39 39 ARG CA C 39 55.343 55.343 55.082 0.261 19538 5512 1 10 . 1 1 39 39 ARG CB C 39 29.529 29.529 30.776 -1.247 19538 5513 1 10 . 1 1 39 39 ARG H H 39 8.920 8.920 8.561 0.359 19538 5514 1 10 . 1 1 40 40 LEU N N 40 127.659 127.659 125.182 2.477 19538 5515 1 10 . 1 1 40 40 LEU HA H 40 4.488 4.488 4.911 -0.423 19538 5516 1 10 . 1 1 40 40 LEU CA C 40 53.848 53.848 54.349 -0.501 19538 5517 1 10 . 1 1 40 40 LEU CB C 40 42.333 42.333 43.180 -0.847 19538 5518 1 10 . 1 1 40 40 LEU H H 40 8.670 8.670 8.504 0.166 19538 5519 1 10 . 1 1 41 41 LYS N N 41 121.136 121.136 122.689 -1.553 19538 5520 1 10 . 1 1 41 41 LYS HA H 41 4.647 4.647 4.737 -0.090 19538 5521 1 10 . 1 1 41 41 LYS CA C 41 55.062 55.062 54.713 0.349 19538 5522 1 10 . 1 1 41 41 LYS CB C 41 35.064 35.064 37.043 -1.979 19538 5523 1 10 . 1 1 41 41 LYS H H 41 8.273 8.273 8.846 -0.573 19538 5524 1 10 . 1 1 42 42 ALA N N 42 123.758 123.758 123.395 0.363 19538 5525 1 10 . 1 1 42 42 ALA HA H 42 5.605 5.605 5.378 0.227 19538 5526 1 10 . 1 1 42 42 ALA CA C 42 50.529 50.529 51.056 -0.527 19538 5527 1 10 . 1 1 42 42 ALA CB C 42 22.577 22.577 22.171 0.406 19538 5528 1 10 . 1 1 42 42 ALA H H 42 8.488 8.488 8.430 0.058 19538 5529 1 10 . 1 1 43 43 TYR N N 43 116.716 116.716 119.271 -2.555 19538 5530 1 10 . 1 1 43 43 TYR HA H 43 4.758 4.758 4.868 -0.110 19538 5531 1 10 . 1 1 43 43 TYR CA C 43 55.975 55.975 55.792 0.183 19538 5532 1 10 . 1 1 43 43 TYR CB C 43 38.409 38.409 40.076 -1.667 19538 5533 1 10 . 1 1 43 43 TYR H H 43 8.123 8.123 9.149 -1.026 19538 5534 1 10 . 1 1 44 44 GLY N N 44 106.591 106.591 106.922 -0.331 19538 5535 1 10 . 1 1 44 44 GLY CA C 44 45.172 45.172 45.143 0.029 19538 5536 1 10 . 1 1 44 44 GLY H H 44 8.663 8.663 8.804 -0.141 19538 5537 1 10 . 1 1 45 45 GLU N N 45 118.850 118.850 121.806 -2.956 19538 5538 1 10 . 1 1 45 45 GLU HA H 45 4.310 4.310 3.770 0.540 19538 5539 1 10 . 1 1 45 45 GLU CA C 45 56.286 56.286 57.582 -1.296 19538 5540 1 10 . 1 1 45 45 GLU CB C 45 31.304 31.304 28.574 2.730 19538 5541 1 10 . 1 1 45 45 GLU H H 45 8.287 8.287 8.648 -0.361 19538 5542 1 10 . 1 1 46 46 LEU N N 46 124.692 124.692 126.203 -1.511 19538 5543 1 10 . 1 1 46 46 LEU HA H 46 4.361 4.361 4.078 0.283 19538 5544 1 10 . 1 1 46 46 LEU CA C 46 54.967 54.967 57.827 -2.860 19538 5545 1 10 . 1 1 46 46 LEU CB C 46 41.980 41.980 42.260 -0.280 19538 5546 1 10 . 1 1 46 46 LEU H H 46 9.010 9.010 6.737 2.273 19538 5547 1 10 . 1 1 47 47 ILE N N 47 123.302 123.302 112.677 10.625 19538 5548 1 10 . 1 1 47 47 ILE HA H 47 4.272 4.272 3.725 0.547 19538 5549 1 10 . 1 1 47 47 ILE CA C 47 60.399 60.399 63.911 -3.512 19538 5550 1 10 . 1 1 47 47 ILE CB C 47 38.676 38.676 37.605 1.071 19538 5551 1 10 . 1 1 47 47 ILE H H 47 8.407 8.407 7.837 0.570 19538 5552 1 10 . 1 1 48 48 THR N N 48 117.749 117.749 115.016 2.733 19538 5553 1 10 . 1 1 48 48 THR HA H 48 4.330 4.330 4.363 -0.033 19538 5554 1 10 . 1 1 48 48 THR CA C 48 61.234 61.234 63.972 -2.738 19538 5555 1 10 . 1 1 48 48 THR CB C 48 69.327 69.327 69.769 -0.442 19538 5556 1 10 . 1 1 48 48 THR H H 48 8.183 8.183 7.486 0.697 19538 5557 1 10 . 1 1 49 49 ASN N N 49 120.102 120.102 119.640 0.462 19538 5558 1 10 . 1 1 49 49 ASN HA H 49 4.585 4.585 4.524 0.061 19538 5559 1 10 . 1 1 49 49 ASN CA C 49 53.193 53.193 53.835 -0.642 19538 5560 1 10 . 1 1 49 49 ASN CB C 49 38.261 38.261 38.701 -0.440 19538 5561 1 10 . 1 1 49 49 ASN H H 49 8.418 8.418 8.524 -0.106 19538 5562 1 10 . 1 1 50 50 ASP N N 50 119.783 119.783 119.076 0.707 19538 5563 1 10 . 1 1 50 50 ASP HA H 50 4.454 4.454 4.305 0.149 19538 5564 1 10 . 1 1 50 50 ASP CA C 50 53.950 53.950 56.671 -2.721 19538 5565 1 10 . 1 1 50 50 ASP CB C 50 41.231 41.231 41.082 0.149 19538 5566 1 10 . 1 1 50 50 ASP H H 50 8.096 8.096 7.895 0.201 19538 5567 1 10 . 1 1 51 51 LYS N N 51 120.547 120.547 118.731 1.816 19538 5568 1 10 . 1 1 51 51 LYS HA H 51 4.017 4.017 4.131 -0.114 19538 5569 1 10 . 1 1 51 51 LYS CA C 51 56.633 56.633 57.764 -1.131 19538 5570 1 10 . 1 1 51 51 LYS CB C 51 32.052 32.052 32.110 -0.058 19538 5571 1 10 . 1 1 51 51 LYS H H 51 8.173 8.173 7.554 0.619 19538 5572 1 10 . 1 1 52 52 TRP N N 52 120.062 120.062 118.526 1.536 19538 5573 1 10 . 1 1 52 52 TRP HA H 52 4.617 4.617 4.802 -0.185 19538 5574 1 10 . 1 1 52 52 TRP CA C 52 57.045 57.045 58.397 -1.352 19538 5575 1 10 . 1 1 52 52 TRP CB C 52 29.251 29.251 30.135 -0.884 19538 5576 1 10 . 1 1 52 52 TRP H H 52 8.094 8.094 8.429 -0.335 19538 5577 1 10 . 1 1 53 53 THR N N 53 115.770 115.770 108.895 6.875 19538 5578 1 10 . 1 1 53 53 THR HA H 53 4.262 4.262 4.860 -0.598 19538 5579 1 10 . 1 1 53 53 THR CA C 53 61.625 61.625 60.906 0.719 19538 5580 1 10 . 1 1 53 53 THR CB C 53 69.153 69.153 68.714 0.439 19538 5581 1 10 . 1 1 53 53 THR H H 53 7.789 7.789 7.962 -0.173 19538 5582 1 10 . 1 1 54 54 ARG N N 54 122.136 122.136 121.008 1.128 19538 5583 1 10 . 1 1 54 54 ARG HA H 54 4.133 4.133 3.970 0.163 19538 5584 1 10 . 1 1 54 54 ARG CA C 54 56.038 56.038 59.085 -3.047 19538 5585 1 10 . 1 1 54 54 ARG CB C 54 30.441 30.441 29.585 0.856 19538 5586 1 10 . 1 1 54 54 ARG H H 54 8.191 8.191 8.015 0.176 19538 5587 1 10 . 1 1 55 55 ASN N N 55 117.842 117.842 116.363 1.479 19538 5588 1 10 . 1 1 55 55 ASN HA H 55 4.713 4.713 4.682 0.031 19538 5589 1 10 . 1 1 55 55 ASN CA C 55 52.873 52.873 53.560 -0.687 19538 5590 1 10 . 1 1 55 55 ASN CB C 55 38.769 38.769 39.127 -0.358 19538 5591 1 10 . 1 1 55 55 ASN H H 55 8.205 8.205 8.576 -0.371 19538 5592 1 10 . 1 1 56 56 ARG N N 56 121.615 121.615 122.413 -0.798 19538 5593 1 10 . 1 1 56 56 ARG HA H 56 4.542 4.542 4.813 -0.271 19538 5594 1 10 . 1 1 56 56 ARG CA C 56 53.765 53.765 53.314 0.451 19538 5595 1 10 . 1 1 56 56 ARG CB C 56 30.009 30.009 31.141 -1.132 19538 5596 1 10 . 1 1 56 56 ARG H H 56 8.246 8.246 8.463 -0.217 19538 5597 1 10 . 1 1 57 57 PRO HA H 57 4.273 4.273 4.585 -0.312 19538 5598 1 10 . 1 1 57 57 PRO CA C 57 62.424 62.424 61.723 0.701 19538 5599 1 10 . 1 1 57 57 PRO CB C 57 31.987 31.987 32.922 -0.935 19538 5600 1 10 . 1 1 58 58 ILE N N 58 122.700 122.700 120.611 2.089 19538 5601 1 10 . 1 1 58 58 ILE HA H 58 4.089 4.089 4.021 0.068 19538 5602 1 10 . 1 1 58 58 ILE CA C 58 60.655 60.655 62.376 -1.721 19538 5603 1 10 . 1 1 58 58 ILE CB C 58 37.111 37.111 35.544 1.567 19538 5604 1 10 . 1 1 58 58 ILE H H 58 8.098 8.098 8.444 -0.346 19538 5605 1 10 . 1 1 59 59 VAL N N 59 124.097 124.097 121.480 2.617 19538 5606 1 10 . 1 1 59 59 VAL HA H 59 4.549 4.549 4.775 -0.226 19538 5607 1 10 . 1 1 59 59 VAL CA C 59 59.613 59.613 59.146 0.467 19538 5608 1 10 . 1 1 59 59 VAL CB C 59 34.980 34.980 35.630 -0.650 19538 5609 1 10 . 1 1 59 59 VAL H H 59 8.167 8.167 8.321 -0.154 19538 5610 1 10 . 1 1 60 60 SER N N 60 119.752 119.752 117.263 2.489 19538 5611 1 10 . 1 1 60 60 SER HA H 60 5.136 5.136 5.376 -0.240 19538 5612 1 10 . 1 1 60 60 SER CA C 60 56.467 56.467 56.578 -0.111 19538 5613 1 10 . 1 1 60 60 SER CB C 60 64.890 64.890 64.100 0.790 19538 5614 1 10 . 1 1 60 60 SER H H 60 8.592 8.592 8.390 0.202 19538 5615 1 10 . 1 1 61 61 THR N N 61 117.559 117.559 116.635 0.924 19538 5616 1 10 . 1 1 61 61 THR HA H 61 4.576 4.576 4.300 0.276 19538 5617 1 10 . 1 1 61 61 THR CA C 61 61.348 61.348 62.664 -1.316 19538 5618 1 10 . 1 1 61 61 THR CB C 61 70.276 70.276 69.736 0.540 19538 5619 1 10 . 1 1 61 61 THR H H 61 9.214 9.214 9.176 0.038 19538 5620 1 10 . 1 1 62 62 LYS N N 62 123.743 123.743 125.969 -2.226 19538 5621 1 10 . 1 1 62 62 LYS HA H 62 5.507 5.507 4.742 0.765 19538 5622 1 10 . 1 1 62 62 LYS CA C 62 54.843 54.843 55.232 -0.389 19538 5623 1 10 . 1 1 62 62 LYS CB C 62 35.211 35.211 32.637 2.574 19538 5624 1 10 . 1 1 62 62 LYS H H 62 8.687 8.687 8.405 0.282 19538 5625 1 10 . 1 1 63 63 LYS N N 63 121.218 121.218 125.414 -4.196 19538 5626 1 10 . 1 1 63 63 LYS HA H 63 4.595 4.595 4.644 -0.049 19538 5627 1 10 . 1 1 63 63 LYS CA C 63 54.760 54.760 55.147 -0.387 19538 5628 1 10 . 1 1 63 63 LYS CB C 63 36.712 36.712 35.989 0.723 19538 5629 1 10 . 1 1 63 63 LYS H H 63 8.797 8.797 8.930 -0.133 19538 5630 1 10 . 1 1 64 64 LEU N N 64 124.605 124.605 126.516 -1.911 19538 5631 1 10 . 1 1 64 64 LEU HA H 64 4.920 4.920 4.667 0.253 19538 5632 1 10 . 1 1 64 64 LEU CA C 64 53.797 53.797 53.866 -0.069 19538 5633 1 10 . 1 1 64 64 LEU CB C 64 43.553 43.553 43.399 0.154 19538 5634 1 10 . 1 1 64 64 LEU H H 64 8.604 8.604 8.597 0.007 19538 5635 1 10 . 1 1 65 65 ASP N N 65 122.577 122.577 126.833 -4.256 19538 5636 1 10 . 1 1 65 65 ASP HA H 65 4.664 4.664 5.000 -0.336 19538 5637 1 10 . 1 1 65 65 ASP CA C 65 51.824 51.824 52.430 -0.606 19538 5638 1 10 . 1 1 65 65 ASP CB C 65 41.277 41.277 43.092 -1.815 19538 5639 1 10 . 1 1 65 65 ASP H H 65 8.455 8.455 8.734 -0.279 19538 5640 1 10 . 1 1 66 66 LYS N N 66 117.718 117.718 119.196 -1.478 19538 5641 1 10 . 1 1 66 66 LYS HA H 66 4.052 4.052 4.004 0.048 19538 5642 1 10 . 1 1 66 66 LYS CA C 66 58.116 58.116 58.781 -0.665 19538 5643 1 10 . 1 1 66 66 LYS CB C 66 31.677 31.677 32.033 -0.356 19538 5644 1 10 . 1 1 66 66 LYS H H 66 8.339 8.339 8.671 -0.332 19538 5645 1 10 . 1 1 67 67 GLU N N 67 118.253 118.253 119.278 -1.025 19538 5646 1 10 . 1 1 67 67 GLU HA H 67 4.323 4.323 4.167 0.156 19538 5647 1 10 . 1 1 67 67 GLU CA C 67 56.018 56.018 56.919 -0.901 19538 5648 1 10 . 1 1 67 67 GLU CB C 67 29.587 29.587 29.513 0.074 19538 5649 1 10 . 1 1 67 67 GLU H H 67 8.096 8.096 7.870 0.226 19538 5650 1 10 . 1 1 68 68 GLY N N 68 107.960 107.960 106.810 1.150 19538 5651 1 10 . 1 1 68 68 GLY CA C 68 45.213 45.213 45.519 -0.306 19538 5652 1 10 . 1 1 68 68 GLY H H 68 8.168 8.168 8.614 -0.446 19538 5653 1 10 . 1 1 69 69 ARG N N 69 121.436 121.436 119.062 2.374 19538 5654 1 10 . 1 1 69 69 ARG HA H 69 4.482 4.482 5.178 -0.696 19538 5655 1 10 . 1 1 69 69 ARG CA C 69 54.229 54.229 53.699 0.530 19538 5656 1 10 . 1 1 69 69 ARG CB C 69 30.399 30.399 31.877 -1.478 19538 5657 1 10 . 1 1 69 69 ARG H H 69 8.590 8.590 7.655 0.935 19538 5658 1 10 . 1 1 70 70 THR N N 70 120.709 120.709 120.969 -0.260 19538 5659 1 10 . 1 1 70 70 THR HA H 70 4.298 4.298 4.425 -0.127 19538 5660 1 10 . 1 1 70 70 THR CA C 70 64.365 64.365 63.788 0.577 19538 5661 1 10 . 1 1 70 70 THR CB C 70 68.832 68.832 69.237 -0.405 19538 5662 1 10 . 1 1 70 70 THR H H 70 8.822 8.822 8.037 0.785 19538 5663 1 10 . 1 1 71 71 HIS N N 71 127.496 127.496 127.548 -0.052 19538 5664 1 10 . 1 1 71 71 HIS HA H 71 5.138 5.138 4.854 0.284 19538 5665 1 10 . 1 1 71 71 HIS CA C 71 53.948 53.948 55.161 -1.214 19538 5666 1 10 . 1 1 71 71 HIS CB C 71 31.791 31.791 32.028 -0.237 19538 5667 1 10 . 1 1 71 71 HIS H H 71 9.384 9.384 9.731 -0.347 19538 5668 1 10 . 1 1 72 72 HIS N N 72 121.684 121.684 126.984 -5.300 19538 5669 1 10 . 1 1 72 72 HIS HA H 72 5.094 5.094 5.309 -0.215 19538 5670 1 10 . 1 1 72 72 HIS CA C 72 54.390 54.390 54.600 -0.210 19538 5671 1 10 . 1 1 72 72 HIS CB C 72 33.961 33.961 30.873 3.088 19538 5672 1 10 . 1 1 72 72 HIS H H 72 9.076 9.076 9.487 -0.411 19538 5673 1 10 . 1 1 73 73 TYR N N 73 121.287 121.287 125.295 -4.008 19538 5674 1 10 . 1 1 73 73 TYR HA H 73 5.305 5.305 4.983 0.322 19538 5675 1 10 . 1 1 73 73 TYR CA C 73 56.017 56.017 57.643 -1.626 19538 5676 1 10 . 1 1 73 73 TYR CB C 73 39.479 39.479 39.994 -0.515 19538 5677 1 10 . 1 1 73 73 TYR H H 73 9.305 9.305 8.962 0.343 19538 5678 1 10 . 1 1 74 74 MET N N 74 124.078 124.078 124.553 -0.475 19538 5679 1 10 . 1 1 74 74 MET HA H 74 4.867 4.867 5.638 -0.771 19538 5680 1 10 . 1 1 74 74 MET CA C 74 54.701 54.701 54.665 0.036 19538 5681 1 10 . 1 1 74 74 MET CB C 74 38.007 38.007 37.070 0.937 19538 5682 1 10 . 1 1 74 74 MET H H 74 8.761 8.761 9.576 -0.815 19538 5683 1 10 . 1 1 75 75 ARG N N 75 123.962 123.962 125.488 -1.526 19538 5684 1 10 . 1 1 75 75 ARG HA H 75 5.471 5.471 5.509 -0.038 19538 5685 1 10 . 1 1 75 75 ARG CA C 75 53.340 53.340 54.622 -1.282 19538 5686 1 10 . 1 1 75 75 ARG CB C 75 34.441 34.441 33.079 1.362 19538 5687 1 10 . 1 1 75 75 ARG H H 75 8.427 8.427 8.968 -0.541 19538 5688 1 10 . 1 1 76 76 PHE N N 76 114.935 114.935 118.699 -3.764 19538 5689 1 10 . 1 1 76 76 PHE HA H 76 4.621 4.621 5.071 -0.450 19538 5690 1 10 . 1 1 76 76 PHE CA C 76 55.856 55.856 56.525 -0.669 19538 5691 1 10 . 1 1 76 76 PHE CB C 76 39.167 39.167 41.433 -2.266 19538 5692 1 10 . 1 1 76 76 PHE H H 76 8.296 8.296 9.056 -0.760 19538 5693 1 10 . 1 1 77 77 HIS N N 77 117.830 117.830 119.988 -2.158 19538 5694 1 10 . 1 1 77 77 HIS HA H 77 5.451 5.451 5.451 0.000 19538 5695 1 10 . 1 1 77 77 HIS CA C 77 54.767 54.767 55.419 -0.652 19538 5696 1 10 . 1 1 77 77 HIS CB C 77 31.102 31.102 32.156 -1.054 19538 5697 1 10 . 1 1 77 77 HIS H H 77 9.190 9.190 9.467 -0.277 19538 5698 1 10 . 1 1 78 78 VAL N N 78 114.372 114.372 117.037 -2.665 19538 5699 1 10 . 1 1 78 78 VAL HA H 78 5.110 5.110 5.091 0.019 19538 5700 1 10 . 1 1 78 78 VAL CA C 78 59.653 59.653 59.140 0.513 19538 5701 1 10 . 1 1 78 78 VAL CB C 78 35.073 35.073 35.943 -0.870 19538 5702 1 10 . 1 1 78 78 VAL H H 78 7.860 7.860 9.300 -1.440 19538 5703 1 10 . 1 1 79 79 GLU N N 79 126.076 126.076 124.069 2.007 19538 5704 1 10 . 1 1 79 79 GLU HA H 79 5.400 5.400 5.085 0.315 19538 5705 1 10 . 1 1 79 79 GLU CA C 79 54.316 54.316 55.012 -0.696 19538 5706 1 10 . 1 1 79 79 GLU CB C 79 34.060 34.060 32.283 1.777 19538 5707 1 10 . 1 1 79 79 GLU H H 79 9.213 9.213 9.289 -0.076 19538 5708 1 10 . 1 1 80 80 SER N N 80 124.627 124.627 123.188 1.439 19538 5709 1 10 . 1 1 80 80 SER HA H 80 4.892 4.892 4.592 0.300 19538 5710 1 10 . 1 1 80 80 SER CA C 80 54.930 54.930 57.801 -2.871 19538 5711 1 10 . 1 1 80 80 SER CB C 80 67.503 67.503 64.421 3.082 19538 5712 1 10 . 1 1 80 80 SER H H 80 9.464 9.464 9.265 0.199 19538 5713 1 10 . 1 1 81 81 LYS N N 81 119.240 119.240 118.594 0.646 19538 5714 1 10 . 1 1 81 81 LYS HA H 81 4.000 4.000 4.162 -0.162 19538 5715 1 10 . 1 1 81 81 LYS CA C 81 59.099 59.099 58.212 0.886 19538 5716 1 10 . 1 1 81 81 LYS CB C 81 31.721 31.721 32.487 -0.766 19538 5717 1 10 . 1 1 81 81 LYS H H 81 10.052 10.052 8.189 1.863 19538 5718 1 10 . 1 1 82 82 LYS N N 82 114.688 114.688 115.374 -0.686 19538 5719 1 10 . 1 1 82 82 LYS HA H 82 4.365 4.365 4.443 -0.078 19538 5720 1 10 . 1 1 82 82 LYS CA C 82 56.211 56.211 56.209 0.002 19538 5721 1 10 . 1 1 82 82 LYS CB C 82 36.484 36.484 34.614 1.871 19538 5722 1 10 . 1 1 82 82 LYS H H 82 7.782 7.782 7.536 0.246 19538 5723 1 10 . 1 1 83 83 LYS N N 83 118.992 118.992 119.650 -0.658 19538 5724 1 10 . 1 1 83 83 LYS HA H 83 4.749 4.749 4.700 0.049 19538 5725 1 10 . 1 1 83 83 LYS CA C 83 53.590 53.590 54.665 -1.075 19538 5726 1 10 . 1 1 83 83 LYS CB C 83 39.218 39.218 36.680 2.538 19538 5727 1 10 . 1 1 83 83 LYS H H 83 7.962 7.962 8.341 -0.379 19538 5728 1 10 . 1 1 84 84 ILE N N 84 118.513 118.513 119.569 -1.056 19538 5729 1 10 . 1 1 84 84 ILE HA H 84 4.556 4.556 4.812 -0.256 19538 5730 1 10 . 1 1 84 84 ILE CA C 84 60.643 60.643 60.547 0.096 19538 5731 1 10 . 1 1 84 84 ILE CB C 84 39.946 39.946 39.476 0.470 19538 5732 1 10 . 1 1 84 84 ILE H H 84 7.927 7.927 8.434 -0.507 19538 5733 1 10 . 1 1 85 85 ALA N N 85 127.327 127.327 129.295 -1.968 19538 5734 1 10 . 1 1 85 85 ALA HA H 85 5.048 5.048 5.042 0.006 19538 5735 1 10 . 1 1 85 85 ALA CA C 85 49.316 49.316 49.493 -0.177 19538 5736 1 10 . 1 1 85 85 ALA CB C 85 24.205 24.205 23.108 1.097 19538 5737 1 10 . 1 1 85 85 ALA H H 85 9.211 9.211 9.194 0.017 19538 5738 1 10 . 1 1 86 86 LEU N N 86 122.978 122.978 121.809 1.169 19538 5739 1 10 . 1 1 86 86 LEU HA H 86 4.554 4.554 4.203 0.351 19538 5740 1 10 . 1 1 86 86 LEU CA C 86 53.671 53.671 53.417 0.254 19538 5741 1 10 . 1 1 86 86 LEU CB C 86 44.396 44.396 44.568 -0.172 19538 5742 1 10 . 1 1 86 86 LEU H H 86 8.312 8.312 8.717 -0.405 19538 5743 1 10 . 1 1 87 87 VAL N N 87 127.511 127.511 126.535 0.976 19538 5744 1 10 . 1 1 87 87 VAL HA H 87 4.244 4.244 4.446 -0.202 19538 5745 1 10 . 1 1 87 87 VAL CA C 87 60.226 60.226 60.395 -0.169 19538 5746 1 10 . 1 1 87 87 VAL CB C 87 31.609 31.609 33.599 -1.990 19538 5747 1 10 . 1 1 87 87 VAL H H 87 9.017 9.017 9.042 -0.025 19538 5748 1 10 . 1 1 88 88 HIS N N 88 124.227 124.227 126.827 -2.600 19538 5749 1 10 . 1 1 88 88 HIS HA H 88 4.687 4.687 5.248 -0.561 19538 5750 1 10 . 1 1 88 88 HIS CA C 88 54.314 54.314 52.785 1.528 19538 5751 1 10 . 1 1 88 88 HIS CB C 88 33.245 33.245 32.810 0.434 19538 5752 1 10 . 1 1 88 88 HIS H H 88 8.104 8.104 8.522 -0.418 19538 5753 1 10 . 1 1 89 89 LEU N N 89 121.992 121.992 128.608 -6.616 19538 5754 1 10 . 1 1 89 89 LEU HA H 89 5.050 5.050 5.268 -0.218 19538 5755 1 10 . 1 1 89 89 LEU CA C 89 52.983 52.983 53.455 -0.472 19538 5756 1 10 . 1 1 89 89 LEU CB C 89 46.355 46.355 46.682 -0.327 19538 5757 1 10 . 1 1 89 89 LEU H H 89 8.600 8.600 9.653 -1.053 19538 5758 1 10 . 1 1 90 90 GLU N N 90 121.551 121.551 124.541 -2.990 19538 5759 1 10 . 1 1 90 90 GLU HA H 90 5.253 5.253 5.766 -0.513 19538 5760 1 10 . 1 1 90 90 GLU CA C 90 53.422 53.422 54.448 -1.026 19538 5761 1 10 . 1 1 90 90 GLU CB C 90 33.238 33.238 33.704 -0.466 19538 5762 1 10 . 1 1 90 90 GLU H H 90 8.816 8.816 9.507 -0.691 19538 5763 1 10 . 1 1 91 91 ALA N N 91 128.266 128.266 126.657 1.609 19538 5764 1 10 . 1 1 91 91 ALA HA H 91 5.385 5.385 5.543 -0.158 19538 5765 1 10 . 1 1 91 91 ALA CA C 91 49.164 49.164 50.097 -0.933 19538 5766 1 10 . 1 1 91 91 ALA CB C 91 23.227 23.227 23.378 -0.151 19538 5767 1 10 . 1 1 91 91 ALA H H 91 9.287 9.287 9.098 0.189 19538 5768 1 10 . 1 1 92 92 LYS N N 92 121.573 121.573 119.510 2.063 19538 5769 1 10 . 1 1 92 92 LYS HA H 92 4.884 4.884 5.420 -0.536 19538 5770 1 10 . 1 1 92 92 LYS CA C 92 54.365 54.365 54.077 0.288 19538 5771 1 10 . 1 1 92 92 LYS CB C 92 36.427 36.427 35.854 0.573 19538 5772 1 10 . 1 1 92 92 LYS H H 92 9.160 9.160 8.909 0.251 19538 5773 1 10 . 1 1 93 93 GLU N N 93 127.022 127.022 125.598 1.424 19538 5774 1 10 . 1 1 93 93 GLU HA H 93 4.145 4.145 4.431 -0.286 19538 5775 1 10 . 1 1 93 93 GLU CA C 93 56.227 56.227 55.733 0.494 19538 5776 1 10 . 1 1 93 93 GLU CB C 93 30.986 30.986 30.498 0.488 19538 5777 1 10 . 1 1 93 93 GLU H H 93 8.525 8.525 9.111 -0.586 19538 5778 1 10 . 1 1 94 94 SER N N 94 120.676 120.676 121.889 -1.213 19538 5779 1 10 . 1 1 94 94 SER HA H 94 4.416 4.416 4.069 0.347 19538 5780 1 10 . 1 1 94 94 SER CA C 94 57.241 57.241 61.566 -4.325 19538 5781 1 10 . 1 1 94 94 SER CB C 94 63.634 63.634 63.456 0.178 19538 5782 1 10 . 1 1 94 94 SER H H 94 8.877 8.877 8.588 0.289 19538 5783 1 10 . 1 1 95 95 LYS HA H 95 4.212 4.212 4.411 -0.199 19538 5784 1 10 . 1 1 95 95 LYS CA C 95 56.036 56.036 57.604 -1.568 19538 5785 1 10 . 1 1 95 95 LYS CB C 95 33.113 33.113 32.673 0.440 19538 5786 1 10 . 1 1 96 96 GLN N N 96 118.641 118.641 117.748 0.893 19538 5787 1 10 . 1 1 96 96 GLN HA H 96 4.140 4.140 4.373 -0.233 19538 5788 1 10 . 1 1 96 96 GLN CA C 96 56.338 56.338 54.863 1.475 19538 5789 1 10 . 1 1 96 96 GLN CB C 96 28.958 28.958 29.344 -0.386 19538 5790 1 10 . 1 1 96 96 GLN H H 96 8.335 8.335 7.962 0.373 19538 5791 1 10 . 1 1 97 97 ASN N N 97 116.545 116.545 118.325 -1.780 19538 5792 1 10 . 1 1 97 97 ASN HA H 97 4.511 4.511 4.590 -0.079 19538 5793 1 10 . 1 1 97 97 ASN CA C 97 53.163 53.163 53.157 0.006 19538 5794 1 10 . 1 1 97 97 ASN CB C 97 38.370 38.370 39.126 -0.756 19538 5795 1 10 . 1 1 97 97 ASN H H 97 8.199 8.199 7.738 0.461 19538 5796 1 10 . 1 1 98 98 TYR N N 98 119.134 119.134 122.299 -3.165 19538 5797 1 10 . 1 1 98 98 TYR HA H 98 4.482 4.482 4.339 0.143 19538 5798 1 10 . 1 1 98 98 TYR CA C 98 57.458 57.458 60.117 -2.659 19538 5799 1 10 . 1 1 98 98 TYR CB C 98 38.539 38.539 38.884 -0.345 19538 5800 1 10 . 1 1 98 98 TYR H H 98 7.918 7.918 8.485 -0.567 19538 5801 1 10 . 1 1 99 99 GLN N N 99 119.975 119.975 117.192 2.783 19538 5802 1 10 . 1 1 99 99 GLN HA H 99 4.440 4.440 4.613 -0.173 19538 5803 1 10 . 1 1 99 99 GLN CA C 99 53.092 53.092 52.892 0.200 19538 5804 1 10 . 1 1 99 99 GLN CB C 99 27.891 27.891 30.476 -2.585 19538 5805 1 10 . 1 1 99 99 GLN H H 99 7.992 7.992 7.805 0.187 19538 5806 1 10 . 1 1 100 100 PRO HA H 100 4.294 4.294 4.206 0.088 19538 5807 1 10 . 1 1 100 100 PRO CA C 100 62.415 62.415 62.362 0.053 19538 5808 1 10 . 1 1 100 100 PRO CB C 100 32.538 32.538 32.126 0.412 19538 5809 1 10 . 1 1 101 101 ASP N N 101 120.964 120.964 121.866 -0.902 19538 5810 1 10 . 1 1 101 101 ASP HA H 101 4.654 4.654 4.368 0.286 19538 5811 1 10 . 1 1 101 101 ASP CA C 101 52.845 52.845 54.453 -1.608 19538 5812 1 10 . 1 1 101 101 ASP CB C 101 42.316 42.316 41.822 0.494 19538 5813 1 10 . 1 1 101 101 ASP H H 101 8.225 8.225 8.787 -0.562 19538 5814 1 10 . 1 1 102 102 PHE N N 102 122.913 122.913 124.384 -1.471 19538 5815 1 10 . 1 1 102 102 PHE HA H 102 4.642 4.642 4.526 0.116 19538 5816 1 10 . 1 1 102 102 PHE CA C 102 57.341 57.341 58.560 -1.219 19538 5817 1 10 . 1 1 102 102 PHE CB C 102 38.576 38.576 37.926 0.650 19538 5818 1 10 . 1 1 102 102 PHE H H 102 9.014 9.014 8.352 0.661 19538 5819 1 10 . 1 1 103 103 ILE N N 103 117.131 117.131 122.218 -5.087 19538 5820 1 10 . 1 1 103 103 ILE HA H 103 4.464 4.464 3.768 0.696 19538 5821 1 10 . 1 1 103 103 ILE CA C 103 60.346 60.346 63.897 -3.550 19538 5822 1 10 . 1 1 103 103 ILE CB C 103 39.243 39.243 38.649 0.594 19538 5823 1 10 . 1 1 103 103 ILE H H 103 8.765 8.765 7.833 0.932 19538 5824 1 10 . 1 1 104 104 ASN N N 104 117.264 117.264 115.163 2.101 19538 5825 1 10 . 1 1 104 104 ASN HA H 104 4.913 4.913 5.022 -0.109 19538 5826 1 10 . 1 1 104 104 ASN CA C 104 52.710 52.710 53.042 -0.332 19538 5827 1 10 . 1 1 104 104 ASN CB C 104 41.361 41.361 42.351 -0.990 19538 5828 1 10 . 1 1 104 104 ASN H H 104 7.441 7.441 8.206 -0.765 19538 5829 1 10 . 1 1 105 105 MET N N 105 125.685 125.685 122.239 3.446 19538 5830 1 10 . 1 1 105 105 MET HA H 105 5.484 5.484 5.440 0.044 19538 5831 1 10 . 1 1 105 105 MET CA C 105 56.071 56.071 55.046 1.025 19538 5832 1 10 . 1 1 105 105 MET CB C 105 34.514 34.514 35.285 -0.770 19538 5833 1 10 . 1 1 105 105 MET H H 105 9.244 9.244 8.508 0.736 19538 5834 1 10 . 1 1 106 106 TYR N N 106 125.856 125.856 120.501 5.355 19538 5835 1 10 . 1 1 106 106 TYR HA H 106 5.438 5.438 5.393 0.045 19538 5836 1 10 . 1 1 106 106 TYR CA C 106 54.552 54.552 55.285 -0.733 19538 5837 1 10 . 1 1 106 106 TYR CB C 106 40.104 40.104 41.104 -1.000 19538 5838 1 10 . 1 1 106 106 TYR H H 106 8.893 8.893 8.740 0.153 19538 5839 1 10 . 1 1 107 107 VAL N N 107 117.033 117.033 119.384 -2.351 19538 5840 1 10 . 1 1 107 107 VAL HA H 107 4.957 4.957 4.679 0.278 19538 5841 1 10 . 1 1 107 107 VAL CA C 107 60.008 60.008 60.826 -0.818 19538 5842 1 10 . 1 1 107 107 VAL CB C 107 35.319 35.319 34.857 0.462 19538 5843 1 10 . 1 1 107 107 VAL H H 107 9.041 9.041 9.328 -0.287 19538 5844 1 10 . 1 1 108 108 ASP N N 108 129.995 129.995 127.786 2.209 19538 5845 1 10 . 1 1 108 108 ASP HA H 108 5.240 5.240 5.015 0.225 19538 5846 1 10 . 1 1 108 108 ASP CA C 108 52.975 52.975 52.118 0.857 19538 5847 1 10 . 1 1 108 108 ASP CB C 108 42.245 42.245 42.287 -0.042 19538 5848 1 10 . 1 1 108 108 ASP H H 108 9.382 9.382 9.272 0.110 19538 5849 1 10 . 1 1 109 109 VAL N N 109 129.641 129.641 126.359 3.282 19538 5850 1 10 . 1 1 109 109 VAL HA H 109 4.464 4.464 4.447 0.017 19538 5851 1 10 . 1 1 109 109 VAL CA C 109 58.694 58.694 58.814 -0.120 19538 5852 1 10 . 1 1 109 109 VAL CB C 109 33.061 33.061 34.074 -1.013 19538 5853 1 10 . 1 1 109 109 VAL H H 109 9.181 9.181 8.218 0.963 19538 5854 1 10 . 1 1 110 110 PRO HA H 110 4.288 4.288 4.291 -0.003 19538 5855 1 10 . 1 1 110 110 PRO CA C 110 64.107 64.107 64.526 -0.419 19538 5856 1 10 . 1 1 110 110 PRO CB C 110 31.557 31.557 31.887 -0.330 19538 5857 1 10 . 1 1 111 111 GLY N N 111 112.873 112.873 111.156 1.717 19538 5858 1 10 . 1 1 111 111 GLY CA C 111 44.872 44.872 45.205 -0.333 19538 5859 1 10 . 1 1 111 111 GLY H H 111 8.839 8.839 8.610 0.229 19538 5860 1 10 . 1 1 112 112 GLU N N 112 118.157 118.157 120.058 -1.901 19538 5861 1 10 . 1 1 112 112 GLU HA H 112 4.858 4.858 4.618 0.240 19538 5862 1 10 . 1 1 112 112 GLU CA C 112 52.732 52.732 54.906 -2.174 19538 5863 1 10 . 1 1 112 112 GLU CB C 112 31.513 31.513 31.914 -0.401 19538 5864 1 10 . 1 1 112 112 GLU H H 112 8.136 8.136 7.946 0.190 19538 5865 1 10 . 1 1 113 113 LYS N N 113 121.944 121.944 121.473 0.471 19538 5866 1 10 . 1 1 113 113 LYS HA H 113 4.208 4.208 4.293 -0.085 19538 5867 1 10 . 1 1 113 113 LYS CA C 113 55.810 55.810 56.237 -0.427 19538 5868 1 10 . 1 1 113 113 LYS CB C 113 32.157 32.157 33.033 -0.876 19538 5869 1 10 . 1 1 113 113 LYS H H 113 8.847 8.847 8.388 0.459 19538 5870 1 10 . 1 1 114 114 ARG N N 114 126.520 126.520 121.582 4.938 19538 5871 1 10 . 1 1 114 114 ARG HA H 114 4.064 4.064 4.100 -0.036 19538 5872 1 10 . 1 1 114 114 ARG CA C 114 57.914 57.914 56.781 1.133 19538 5873 1 10 . 1 1 114 114 ARG CB C 114 30.627 30.627 30.294 0.333 19538 5874 1 10 . 1 1 114 114 ARG H H 114 8.539 8.539 8.238 0.301 19538 5875 1 10 . 1 1 115 115 TYR N N 115 128.478 128.478 128.613 -0.135 19538 5876 1 10 . 1 1 115 115 TYR HA H 115 4.671 4.671 4.764 -0.093 19538 5877 1 10 . 1 1 115 115 TYR CA C 115 56.519 56.519 56.523 -0.004 19538 5878 1 10 . 1 1 115 115 TYR CB C 115 40.193 40.193 41.116 -0.923 19538 5879 1 10 . 1 1 115 115 TYR H H 115 8.333 8.333 8.781 -0.448 19538 5880 1 10 . 1 1 116 116 TYR N N 116 127.101 127.101 127.976 -0.875 19538 5881 1 10 . 1 1 116 116 TYR HA H 116 4.553 4.553 4.691 -0.138 19538 5882 1 10 . 1 1 116 116 TYR CA C 116 58.502 58.502 58.087 0.415 19538 5883 1 10 . 1 1 116 116 TYR CB C 116 38.842 38.842 37.717 1.125 19538 5884 1 10 . 1 1 116 116 TYR H H 116 8.740 8.740 8.638 0.102 19538 5885 1 10 . 1 1 117 117 LEU N N 117 125.574 125.574 124.621 0.953 19538 5886 1 10 . 1 1 117 117 LEU HA H 117 4.394 4.394 4.282 0.112 19538 5887 1 10 . 1 1 117 117 LEU CA C 117 57.384 57.384 56.694 0.690 19538 5888 1 10 . 1 1 117 117 LEU CB C 117 43.272 43.272 42.869 0.403 19538 5889 1 10 . 1 1 117 117 LEU H H 117 8.427 8.427 8.364 0.063 19538 5890 1 10 . 1 1 118 118 ILE N N 118 118.478 118.478 118.916 -0.438 19538 5891 1 10 . 1 1 118 118 ILE HA H 118 4.199 4.199 4.250 -0.051 19538 5892 1 10 . 1 1 118 118 ILE CA C 118 60.074 60.074 60.318 -0.243 19538 5893 1 10 . 1 1 118 118 ILE CB C 118 40.895 40.895 39.884 1.011 19538 5894 1 10 . 1 1 118 118 ILE H H 118 7.983 7.983 8.314 -0.331 19538 5895 1 10 . 1 1 119 119 LYS N N 119 127.589 127.589 128.455 -0.866 19538 5896 1 10 . 1 1 119 119 LYS HA H 119 4.778 4.778 4.667 0.111 19538 5897 1 10 . 1 1 119 119 LYS CA C 119 53.232 53.232 53.272 -0.040 19538 5898 1 10 . 1 1 119 119 LYS CB C 119 32.581 32.581 31.570 1.011 19538 5899 1 10 . 1 1 119 119 LYS H H 119 8.550 8.550 8.574 -0.024 19538 5900 1 10 . 1 1 120 120 PRO HA H 120 4.534 4.534 4.821 -0.287 19538 5901 1 10 . 1 1 120 120 PRO CA C 120 62.395 62.395 62.367 0.028 19538 5902 1 10 . 1 1 120 120 PRO CB C 120 32.059 32.059 32.482 -0.423 19538 5903 1 10 . 1 1 121 121 LYS N N 121 122.191 122.191 120.068 2.123 19538 5904 1 10 . 1 1 121 121 LYS HA H 121 4.136 4.136 4.081 0.055 19538 5905 1 10 . 1 1 121 121 LYS CA C 121 55.840 55.840 58.358 -2.518 19538 5906 1 10 . 1 1 121 121 LYS CB C 121 33.162 33.162 32.491 0.671 19538 5907 1 10 . 1 1 121 121 LYS H H 121 8.406 8.406 8.686 -0.280 19538 5908 1 10 . 1 1 122 122 LEU N N 122 122.972 122.972 116.540 6.432 19538 5909 1 10 . 1 1 122 122 LEU HA H 122 4.219 4.219 3.963 0.256 19538 5910 1 10 . 1 1 122 122 LEU CA C 122 54.494 54.494 57.276 -2.782 19538 5911 1 10 . 1 1 122 122 LEU CB C 122 41.990 41.990 41.258 0.732 19538 5912 1 10 . 1 1 122 122 LEU H H 122 8.158 8.158 8.180 -0.022 19538 5913 1 10 . 1 1 123 123 HIS N N 123 121.608 121.608 114.891 6.717 19538 5914 1 10 . 1 1 123 123 HIS HA H 123 4.776 4.776 4.899 -0.123 19538 5915 1 10 . 1 1 123 123 HIS CA C 123 53.651 53.651 54.295 -0.644 19538 5916 1 10 . 1 1 123 123 HIS CB C 123 30.145 30.145 30.970 -0.825 19538 5917 1 10 . 1 1 123 123 HIS H H 123 8.172 8.172 8.433 -0.261 19538 5918 1 10 . 1 1 124 124 PRO HA H 124 4.085 4.085 4.364 -0.279 19538 5919 1 10 . 1 1 124 124 PRO CA C 124 62.119 62.119 63.860 -1.741 19538 5920 1 10 . 1 1 124 124 PRO CB C 124 33.900 33.900 30.273 3.627 19538 5921 1 10 . 1 1 125 125 VAL N N 125 120.758 120.758 115.906 4.852 19538 5922 1 10 . 1 1 125 125 VAL HA H 125 4.085 4.085 3.554 0.531 19538 5923 1 10 . 1 1 125 125 VAL CA C 125 61.791 61.791 65.469 -3.678 19538 5924 1 10 . 1 1 125 125 VAL CB C 125 32.635 32.635 30.182 2.453 19538 5925 1 10 . 1 1 125 125 VAL H H 125 8.361 8.361 8.846 -0.485 19538 5926 1 10 . 1 1 126 126 SER N N 126 119.450 119.450 118.624 0.826 19538 5927 1 10 . 1 1 126 126 SER HA H 126 4.417 4.417 4.393 0.024 19538 5928 1 10 . 1 1 126 126 SER CA C 126 57.522 57.522 59.747 -2.225 19538 5929 1 10 . 1 1 126 126 SER CB C 126 63.634 63.634 63.748 -0.114 19538 5930 1 10 . 1 1 126 126 SER H H 126 8.323 8.323 8.492 -0.169 19538 5931 1 11 . 1 1 2 2 ALA N N 2 122.815 122.815 127.325 -4.510 19538 5932 1 11 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.469 -0.176 19538 5933 1 11 . 1 1 2 2 ALA CA C 2 52.085 52.085 52.401 -0.316 19538 5934 1 11 . 1 1 2 2 ALA CB C 2 19.067 19.067 17.505 1.562 19538 5935 1 11 . 1 1 2 2 ALA H H 2 8.102 8.102 8.596 -0.494 19538 5936 1 11 . 1 1 3 3 MET N N 3 119.897 119.897 120.183 -0.286 19538 5937 1 11 . 1 1 3 3 MET HA H 3 4.401 4.401 4.426 -0.025 19538 5938 1 11 . 1 1 3 3 MET CA C 3 55.339 55.339 56.205 -0.866 19538 5939 1 11 . 1 1 3 3 MET CB C 3 32.938 32.938 32.882 0.056 19538 5940 1 11 . 1 1 3 3 MET H H 3 8.501 8.501 8.288 0.213 19538 5941 1 11 . 1 1 4 4 GLY N N 4 110.174 110.174 111.905 -1.731 19538 5942 1 11 . 1 1 4 4 GLY CA C 4 44.706 44.706 45.426 -0.720 19538 5943 1 11 . 1 1 4 4 GLY H H 4 8.498 8.498 8.941 -0.443 19538 5944 1 11 . 1 1 5 5 SER HA H 5 4.368 4.368 4.302 0.066 19538 5945 1 11 . 1 1 5 5 SER CA C 5 58.467 58.467 58.174 0.293 19538 5946 1 11 . 1 1 5 5 SER CB C 5 63.530 63.530 61.888 1.642 19538 5947 1 11 . 1 1 6 6 GLY CA C 6 45.983 45.983 47.632 -1.649 19538 5948 1 11 . 1 1 7 7 ASP N N 7 122.649 122.649 120.363 2.286 19538 5949 1 11 . 1 1 7 7 ASP HA H 7 4.375 4.375 4.685 -0.310 19538 5950 1 11 . 1 1 7 7 ASP CA C 7 56.523 56.523 56.890 -0.367 19538 5951 1 11 . 1 1 7 7 ASP CB C 7 40.235 40.235 39.606 0.629 19538 5952 1 11 . 1 1 7 7 ASP H H 7 8.457 8.457 8.035 0.422 19538 5953 1 11 . 1 1 8 8 THR N N 8 116.751 116.751 117.177 -0.426 19538 5954 1 11 . 1 1 8 8 THR HA H 8 3.853 3.853 4.074 -0.221 19538 5955 1 11 . 1 1 8 8 THR CA C 8 66.104 66.104 66.996 -0.892 19538 5956 1 11 . 1 1 8 8 THR CB C 8 68.047 68.047 68.423 -0.376 19538 5957 1 11 . 1 1 8 8 THR H H 8 8.128 8.128 8.151 -0.023 19538 5958 1 11 . 1 1 9 9 GLN N N 9 120.186 120.186 121.216 -1.030 19538 5959 1 11 . 1 1 9 9 GLN HA H 9 4.038 4.038 4.147 -0.109 19538 5960 1 11 . 1 1 9 9 GLN CA C 9 58.699 58.699 59.444 -0.745 19538 5961 1 11 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.558 -0.458 19538 5962 1 11 . 1 1 9 9 GLN H H 9 7.831 7.831 8.958 -1.127 19538 5963 1 11 . 1 1 10 10 LEU N N 10 120.735 120.735 120.175 0.560 19538 5964 1 11 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.118 -0.201 19538 5965 1 11 . 1 1 10 10 LEU CA C 10 58.126 58.126 58.146 -0.020 19538 5966 1 11 . 1 1 10 10 LEU CB C 10 41.935 41.935 41.700 0.235 19538 5967 1 11 . 1 1 10 10 LEU H H 10 7.670 7.670 7.965 -0.295 19538 5968 1 11 . 1 1 11 11 PHE N N 11 117.802 117.802 121.143 -3.341 19538 5969 1 11 . 1 1 11 11 PHE HA H 11 3.821 3.821 4.029 -0.208 19538 5970 1 11 . 1 1 11 11 PHE CA C 11 60.224 60.224 61.321 -1.097 19538 5971 1 11 . 1 1 11 11 PHE CB C 11 38.798 38.798 38.920 -0.122 19538 5972 1 11 . 1 1 11 11 PHE H H 11 7.939 7.939 9.291 -1.352 19538 5973 1 11 . 1 1 12 12 ASN N N 12 117.152 117.152 118.254 -1.102 19538 5974 1 11 . 1 1 12 12 ASN HA H 12 3.868 3.868 4.068 -0.200 19538 5975 1 11 . 1 1 12 12 ASN CA C 12 55.410 55.410 56.408 -0.998 19538 5976 1 11 . 1 1 12 12 ASN CB C 12 37.188 37.188 37.894 -0.706 19538 5977 1 11 . 1 1 12 12 ASN H H 12 8.562 8.562 8.832 -0.270 19538 5978 1 11 . 1 1 13 13 ARG N N 13 119.825 119.825 120.860 -1.035 19538 5979 1 11 . 1 1 13 13 ARG HA H 13 3.914 3.914 3.991 -0.077 19538 5980 1 11 . 1 1 13 13 ARG CA C 13 58.623 58.623 59.567 -0.944 19538 5981 1 11 . 1 1 13 13 ARG CB C 13 31.719 31.719 30.197 1.522 19538 5982 1 11 . 1 1 13 13 ARG H H 13 8.006 8.006 8.744 -0.738 19538 5983 1 11 . 1 1 14 14 ALA N N 14 122.749 122.749 123.692 -0.943 19538 5984 1 11 . 1 1 14 14 ALA HA H 14 3.938 3.938 4.008 -0.070 19538 5985 1 11 . 1 1 14 14 ALA CA C 14 54.976 54.976 55.177 -0.201 19538 5986 1 11 . 1 1 14 14 ALA CB C 14 19.446 19.446 18.522 0.924 19538 5987 1 11 . 1 1 14 14 ALA H H 14 8.163 8.163 8.788 -0.625 19538 5988 1 11 . 1 1 15 15 VAL N N 15 118.460 118.460 118.235 0.225 19538 5989 1 11 . 1 1 15 15 VAL HA H 15 3.219 3.219 3.566 -0.347 19538 5990 1 11 . 1 1 15 15 VAL CA C 15 66.611 66.611 66.386 0.225 19538 5991 1 11 . 1 1 15 15 VAL CB C 15 30.889 30.889 31.111 -0.222 19538 5992 1 11 . 1 1 15 15 VAL H H 15 8.718 8.718 8.552 0.166 19538 5993 1 11 . 1 1 16 16 SER N N 16 113.102 113.102 115.618 -2.516 19538 5994 1 11 . 1 1 16 16 SER HA H 16 4.144 4.144 4.051 0.093 19538 5995 1 11 . 1 1 16 16 SER CA C 16 60.888 60.888 61.538 -0.650 19538 5996 1 11 . 1 1 16 16 SER CB C 16 62.503 62.503 62.907 -0.404 19538 5997 1 11 . 1 1 16 16 SER H H 16 7.243 7.243 7.938 -0.695 19538 5998 1 11 . 1 1 17 17 MET N N 17 117.447 117.447 120.454 -3.007 19538 5999 1 11 . 1 1 17 17 MET HA H 17 3.875 3.875 4.031 -0.156 19538 6000 1 11 . 1 1 17 17 MET CA C 17 58.575 58.575 59.232 -0.657 19538 6001 1 11 . 1 1 17 17 MET CB C 17 33.489 33.489 32.921 0.568 19538 6002 1 11 . 1 1 17 17 MET H H 17 7.232 7.232 8.424 -1.192 19538 6003 1 11 . 1 1 18 18 VAL N N 18 117.842 117.842 113.887 3.955 19538 6004 1 11 . 1 1 18 18 VAL HA H 18 3.357 3.357 3.799 -0.442 19538 6005 1 11 . 1 1 18 18 VAL CA C 18 66.065 66.065 65.294 0.771 19538 6006 1 11 . 1 1 18 18 VAL CB C 18 31.686 31.686 31.624 0.062 19538 6007 1 11 . 1 1 18 18 VAL H H 18 7.678 7.678 8.260 -0.582 19538 6008 1 11 . 1 1 19 19 GLU N N 19 113.150 113.150 119.531 -6.381 19538 6009 1 11 . 1 1 19 19 GLU HA H 19 3.618 3.618 4.003 -0.385 19538 6010 1 11 . 1 1 19 19 GLU CA C 19 58.198 58.198 59.228 -1.030 19538 6011 1 11 . 1 1 19 19 GLU CB C 19 29.786 29.786 29.754 0.032 19538 6012 1 11 . 1 1 19 19 GLU H H 19 8.378 8.378 8.533 -0.155 19538 6013 1 11 . 1 1 20 20 LYS N N 20 114.076 114.076 113.672 0.404 19538 6014 1 11 . 1 1 20 20 LYS HA H 20 4.243 4.243 4.429 -0.186 19538 6015 1 11 . 1 1 20 20 LYS CA C 20 55.725 55.725 54.704 1.021 19538 6016 1 11 . 1 1 20 20 LYS CB C 20 33.032 33.032 32.465 0.567 19538 6017 1 11 . 1 1 20 20 LYS H H 20 7.072 7.072 7.699 -0.627 19538 6018 1 11 . 1 1 21 21 ASN N N 21 121.025 121.025 121.309 -0.284 19538 6019 1 11 . 1 1 21 21 ASN HA H 21 4.555 4.555 4.600 -0.045 19538 6020 1 11 . 1 1 21 21 ASN CA C 21 53.766 53.766 52.352 1.414 19538 6021 1 11 . 1 1 21 21 ASN CB C 21 39.835 39.835 39.019 0.816 19538 6022 1 11 . 1 1 21 21 ASN H H 21 7.230 7.230 7.483 -0.253 19538 6023 1 11 . 1 1 22 22 LYS N N 22 128.112 128.112 127.984 0.128 19538 6024 1 11 . 1 1 22 22 LYS HA H 22 3.698 3.698 3.861 -0.163 19538 6025 1 11 . 1 1 22 22 LYS CA C 22 59.519 59.519 60.091 -0.572 19538 6026 1 11 . 1 1 22 22 LYS CB C 22 32.140 32.140 31.399 0.741 19538 6027 1 11 . 1 1 22 22 LYS H H 22 8.846 8.846 8.689 0.157 19538 6028 1 11 . 1 1 23 23 ASP N N 23 120.250 120.250 119.767 0.483 19538 6029 1 11 . 1 1 23 23 ASP HA H 23 4.297 4.297 4.386 -0.089 19538 6030 1 11 . 1 1 23 23 ASP CA C 23 56.787 56.787 57.325 -0.538 19538 6031 1 11 . 1 1 23 23 ASP CB C 23 39.444 39.444 40.439 -0.995 19538 6032 1 11 . 1 1 23 23 ASP H H 23 7.731 7.731 7.849 -0.118 19538 6033 1 11 . 1 1 24 24 ILE N N 24 121.988 121.988 120.593 1.395 19538 6034 1 11 . 1 1 24 24 ILE HA H 24 3.219 3.219 3.340 -0.121 19538 6035 1 11 . 1 1 24 24 ILE CA C 24 63.375 63.375 65.442 -2.067 19538 6036 1 11 . 1 1 24 24 ILE CB C 24 35.424 35.424 37.715 -2.291 19538 6037 1 11 . 1 1 24 24 ILE H H 24 8.431 8.431 7.392 1.039 19538 6038 1 11 . 1 1 25 25 ARG N N 25 118.181 118.181 120.104 -1.923 19538 6039 1 11 . 1 1 25 25 ARG HA H 25 3.810 3.810 3.848 -0.038 19538 6040 1 11 . 1 1 25 25 ARG CA C 25 60.546 60.546 60.563 -0.017 19538 6041 1 11 . 1 1 25 25 ARG CB C 25 30.205 30.205 29.895 0.310 19538 6042 1 11 . 1 1 25 25 ARG H H 25 8.206 8.206 8.930 -0.724 19538 6043 1 11 . 1 1 26 26 SER N N 26 112.549 112.549 115.792 -3.243 19538 6044 1 11 . 1 1 26 26 SER HA H 26 4.373 4.373 4.162 0.211 19538 6045 1 11 . 1 1 26 26 SER CA C 26 61.040 61.040 62.263 -1.223 19538 6046 1 11 . 1 1 26 26 SER CB C 26 62.096 62.096 62.826 -0.730 19538 6047 1 11 . 1 1 26 26 SER H H 26 7.518 7.518 8.179 -0.661 19538 6048 1 11 . 1 1 27 27 LEU N N 27 125.275 125.275 121.489 3.786 19538 6049 1 11 . 1 1 27 27 LEU HA H 27 4.013 4.013 4.025 -0.012 19538 6050 1 11 . 1 1 27 27 LEU CA C 27 57.652 57.652 57.639 0.013 19538 6051 1 11 . 1 1 27 27 LEU CB C 27 42.548 42.548 41.988 0.560 19538 6052 1 11 . 1 1 27 27 LEU H H 27 8.050 8.050 7.745 0.305 19538 6053 1 11 . 1 1 28 28 LEU N N 28 114.725 114.725 113.557 1.168 19538 6054 1 11 . 1 1 28 28 LEU HA H 28 3.863 3.863 4.327 -0.464 19538 6055 1 11 . 1 1 28 28 LEU CA C 28 54.299 54.299 55.041 -0.742 19538 6056 1 11 . 1 1 28 28 LEU CB C 28 42.874 42.874 42.173 0.701 19538 6057 1 11 . 1 1 28 28 LEU H H 28 8.010 8.010 8.348 -0.338 19538 6058 1 11 . 1 1 29 29 GLN N N 29 116.444 116.444 114.456 1.988 19538 6059 1 11 . 1 1 29 29 GLN HA H 29 3.854 3.854 3.979 -0.125 19538 6060 1 11 . 1 1 29 29 GLN CA C 29 55.652 55.652 56.708 -1.056 19538 6061 1 11 . 1 1 29 29 GLN CB C 29 25.300 25.300 25.329 -0.029 19538 6062 1 11 . 1 1 29 29 GLN H H 29 7.972 7.972 8.266 -0.294 19538 6063 1 11 . 1 1 30 30 CYS N N 30 116.363 116.363 119.885 -3.522 19538 6064 1 11 . 1 1 30 30 CYS HA H 30 4.133 4.133 4.344 -0.211 19538 6065 1 11 . 1 1 30 30 CYS CA C 30 61.559 61.559 60.620 0.939 19538 6066 1 11 . 1 1 30 30 CYS CB C 30 27.701 27.701 25.271 2.430 19538 6067 1 11 . 1 1 30 30 CYS H H 30 7.847 7.847 8.790 -0.943 19538 6068 1 11 . 1 1 31 31 ASP N N 31 125.091 125.091 123.036 2.055 19538 6069 1 11 . 1 1 31 31 ASP HA H 31 4.598 4.598 4.478 0.120 19538 6070 1 11 . 1 1 31 31 ASP CA C 31 52.428 52.428 56.388 -3.960 19538 6071 1 11 . 1 1 31 31 ASP CB C 31 39.156 39.156 41.524 -2.368 19538 6072 1 11 . 1 1 31 31 ASP H H 31 9.918 9.918 8.495 1.423 19538 6073 1 11 . 1 1 32 32 ASP N N 32 124.593 124.593 118.273 6.320 19538 6074 1 11 . 1 1 32 32 ASP HA H 32 5.131 5.131 4.535 0.596 19538 6075 1 11 . 1 1 32 32 ASP CA C 32 52.190 52.190 55.456 -3.266 19538 6076 1 11 . 1 1 32 32 ASP CB C 32 41.542 41.542 39.480 2.062 19538 6077 1 11 . 1 1 32 32 ASP H H 32 7.532 7.532 8.065 -0.533 19538 6078 1 11 . 1 1 33 33 GLY N N 33 109.888 109.888 105.385 4.503 19538 6079 1 11 . 1 1 33 33 GLY CA C 33 44.840 44.840 45.900 -1.060 19538 6080 1 11 . 1 1 33 33 GLY H H 33 7.912 7.912 7.655 0.257 19538 6081 1 11 . 1 1 34 34 ILE HA H 34 3.978 3.978 3.960 0.018 19538 6082 1 11 . 1 1 34 34 ILE CA C 34 63.210 63.210 62.853 0.357 19538 6083 1 11 . 1 1 34 34 ILE CB C 34 38.027 38.027 38.527 -0.500 19538 6084 1 11 . 1 1 35 35 THR N N 35 109.823 109.823 113.811 -3.988 19538 6085 1 11 . 1 1 35 35 THR HA H 35 4.291 4.291 4.349 -0.058 19538 6086 1 11 . 1 1 35 35 THR CA C 35 61.511 61.511 61.784 -0.273 19538 6087 1 11 . 1 1 35 35 THR CB C 35 68.374 68.374 68.732 -0.358 19538 6088 1 11 . 1 1 35 35 THR H H 35 7.995 7.995 8.136 -0.141 19538 6089 1 11 . 1 1 36 36 GLY N N 36 109.916 109.916 110.695 -0.779 19538 6090 1 11 . 1 1 36 36 GLY CA C 36 44.282 44.282 44.940 -0.658 19538 6091 1 11 . 1 1 36 36 GLY H H 36 7.564 7.564 7.480 0.084 19538 6092 1 11 . 1 1 37 37 LYS N N 37 119.833 119.833 122.606 -2.773 19538 6093 1 11 . 1 1 37 37 LYS HA H 37 4.442 4.442 4.671 -0.229 19538 6094 1 11 . 1 1 37 37 LYS CA C 37 54.520 54.520 55.541 -1.021 19538 6095 1 11 . 1 1 37 37 LYS CB C 37 33.208 33.208 33.256 -0.048 19538 6096 1 11 . 1 1 37 37 LYS H H 37 8.236 8.236 8.396 -0.160 19538 6097 1 11 . 1 1 38 38 GLU N N 38 125.697 125.697 124.739 0.958 19538 6098 1 11 . 1 1 38 38 GLU HA H 38 3.907 3.907 4.458 -0.551 19538 6099 1 11 . 1 1 38 38 GLU CA C 38 56.731 56.731 55.172 1.559 19538 6100 1 11 . 1 1 38 38 GLU CB C 38 29.779 29.779 31.290 -1.511 19538 6101 1 11 . 1 1 38 38 GLU H H 38 8.175 8.175 9.006 -0.831 19538 6102 1 11 . 1 1 39 39 ARG N N 39 128.738 128.738 120.374 8.364 19538 6103 1 11 . 1 1 39 39 ARG HA H 39 4.260 4.260 4.531 -0.271 19538 6104 1 11 . 1 1 39 39 ARG CA C 39 55.343 55.343 54.937 0.406 19538 6105 1 11 . 1 1 39 39 ARG CB C 39 29.529 29.529 29.815 -0.286 19538 6106 1 11 . 1 1 39 39 ARG H H 39 8.920 8.920 8.473 0.447 19538 6107 1 11 . 1 1 40 40 LEU N N 40 127.659 127.659 125.434 2.225 19538 6108 1 11 . 1 1 40 40 LEU HA H 40 4.488 4.488 4.379 0.109 19538 6109 1 11 . 1 1 40 40 LEU CA C 40 53.848 53.848 54.928 -1.080 19538 6110 1 11 . 1 1 40 40 LEU CB C 40 42.333 42.333 42.817 -0.484 19538 6111 1 11 . 1 1 40 40 LEU H H 40 8.670 8.670 8.472 0.198 19538 6112 1 11 . 1 1 41 41 LYS N N 41 121.136 121.136 123.346 -2.210 19538 6113 1 11 . 1 1 41 41 LYS HA H 41 4.647 4.647 4.721 -0.074 19538 6114 1 11 . 1 1 41 41 LYS CA C 41 55.062 55.062 55.063 -0.001 19538 6115 1 11 . 1 1 41 41 LYS CB C 41 35.064 35.064 36.412 -1.348 19538 6116 1 11 . 1 1 41 41 LYS H H 41 8.273 8.273 8.649 -0.376 19538 6117 1 11 . 1 1 42 42 ALA N N 42 123.758 123.758 124.687 -0.929 19538 6118 1 11 . 1 1 42 42 ALA HA H 42 5.605 5.605 5.432 0.173 19538 6119 1 11 . 1 1 42 42 ALA CA C 42 50.529 50.529 51.040 -0.511 19538 6120 1 11 . 1 1 42 42 ALA CB C 42 22.577 22.577 22.350 0.227 19538 6121 1 11 . 1 1 42 42 ALA H H 42 8.488 8.488 8.471 0.017 19538 6122 1 11 . 1 1 43 43 TYR N N 43 116.716 116.716 118.464 -1.748 19538 6123 1 11 . 1 1 43 43 TYR HA H 43 4.758 4.758 4.782 -0.024 19538 6124 1 11 . 1 1 43 43 TYR CA C 43 55.975 55.975 55.824 0.151 19538 6125 1 11 . 1 1 43 43 TYR CB C 43 38.409 38.409 40.077 -1.668 19538 6126 1 11 . 1 1 43 43 TYR H H 43 8.123 8.123 9.049 -0.926 19538 6127 1 11 . 1 1 44 44 GLY N N 44 106.591 106.591 107.124 -0.533 19538 6128 1 11 . 1 1 44 44 GLY CA C 44 45.172 45.172 45.185 -0.013 19538 6129 1 11 . 1 1 44 44 GLY H H 44 8.663 8.663 8.792 -0.129 19538 6130 1 11 . 1 1 45 45 GLU N N 45 118.850 118.850 122.383 -3.533 19538 6131 1 11 . 1 1 45 45 GLU HA H 45 4.310 4.310 4.154 0.156 19538 6132 1 11 . 1 1 45 45 GLU CA C 45 56.286 56.286 58.132 -1.846 19538 6133 1 11 . 1 1 45 45 GLU CB C 45 31.304 31.304 30.240 1.064 19538 6134 1 11 . 1 1 45 45 GLU H H 45 8.287 8.287 8.204 0.083 19538 6135 1 11 . 1 1 46 46 LEU N N 46 124.692 124.692 128.519 -3.827 19538 6136 1 11 . 1 1 46 46 LEU HA H 46 4.361 4.361 4.314 0.047 19538 6137 1 11 . 1 1 46 46 LEU CA C 46 54.967 54.967 58.182 -3.215 19538 6138 1 11 . 1 1 46 46 LEU CB C 46 41.980 41.980 42.290 -0.310 19538 6139 1 11 . 1 1 46 46 LEU H H 46 9.010 9.010 8.988 0.022 19538 6140 1 11 . 1 1 47 47 ILE N N 47 123.302 123.302 116.992 6.310 19538 6141 1 11 . 1 1 47 47 ILE HA H 47 4.272 4.272 3.702 0.570 19538 6142 1 11 . 1 1 47 47 ILE CA C 47 60.399 60.399 64.470 -4.071 19538 6143 1 11 . 1 1 47 47 ILE CB C 47 38.676 38.676 38.081 0.595 19538 6144 1 11 . 1 1 47 47 ILE H H 47 8.407 8.407 8.564 -0.157 19538 6145 1 11 . 1 1 48 48 THR N N 48 117.749 117.749 110.359 7.390 19538 6146 1 11 . 1 1 48 48 THR HA H 48 4.330 4.330 4.402 -0.072 19538 6147 1 11 . 1 1 48 48 THR CA C 48 61.234 61.234 63.516 -2.282 19538 6148 1 11 . 1 1 48 48 THR CB C 48 69.327 69.327 70.198 -0.871 19538 6149 1 11 . 1 1 48 48 THR H H 48 8.183 8.183 7.799 0.384 19538 6150 1 11 . 1 1 49 49 ASN N N 49 120.102 120.102 119.203 0.899 19538 6151 1 11 . 1 1 49 49 ASN HA H 49 4.585 4.585 4.802 -0.217 19538 6152 1 11 . 1 1 49 49 ASN CA C 49 53.193 53.193 53.440 -0.247 19538 6153 1 11 . 1 1 49 49 ASN CB C 49 38.261 38.261 38.716 -0.455 19538 6154 1 11 . 1 1 49 49 ASN H H 49 8.418 8.418 8.116 0.302 19538 6155 1 11 . 1 1 50 50 ASP N N 50 119.783 119.783 119.567 0.216 19538 6156 1 11 . 1 1 50 50 ASP HA H 50 4.454 4.454 4.405 0.049 19538 6157 1 11 . 1 1 50 50 ASP CA C 50 53.950 53.950 56.501 -2.551 19538 6158 1 11 . 1 1 50 50 ASP CB C 50 41.231 41.231 40.617 0.614 19538 6159 1 11 . 1 1 50 50 ASP H H 50 8.096 8.096 7.826 0.270 19538 6160 1 11 . 1 1 51 51 LYS N N 51 120.547 120.547 120.792 -0.245 19538 6161 1 11 . 1 1 51 51 LYS HA H 51 4.017 4.017 4.211 -0.194 19538 6162 1 11 . 1 1 51 51 LYS CA C 51 56.633 56.633 57.877 -1.244 19538 6163 1 11 . 1 1 51 51 LYS CB C 51 32.052 32.052 32.207 -0.155 19538 6164 1 11 . 1 1 51 51 LYS H H 51 8.173 8.173 7.707 0.466 19538 6165 1 11 . 1 1 52 52 TRP N N 52 120.062 120.062 118.230 1.832 19538 6166 1 11 . 1 1 52 52 TRP HA H 52 4.617 4.617 4.822 -0.205 19538 6167 1 11 . 1 1 52 52 TRP CA C 52 57.045 57.045 57.428 -0.383 19538 6168 1 11 . 1 1 52 52 TRP CB C 52 29.251 29.251 31.697 -2.446 19538 6169 1 11 . 1 1 52 52 TRP H H 52 8.094 8.094 8.274 -0.180 19538 6170 1 11 . 1 1 53 53 THR N N 53 115.770 115.770 111.227 4.543 19538 6171 1 11 . 1 1 53 53 THR HA H 53 4.262 4.262 4.514 -0.252 19538 6172 1 11 . 1 1 53 53 THR CA C 53 61.625 61.625 60.855 0.770 19538 6173 1 11 . 1 1 53 53 THR CB C 53 69.153 69.153 68.675 0.478 19538 6174 1 11 . 1 1 53 53 THR H H 53 7.789 7.789 8.022 -0.233 19538 6175 1 11 . 1 1 54 54 ARG N N 54 122.136 122.136 120.268 1.868 19538 6176 1 11 . 1 1 54 54 ARG HA H 54 4.133 4.133 4.003 0.130 19538 6177 1 11 . 1 1 54 54 ARG CA C 54 56.038 56.038 59.105 -3.067 19538 6178 1 11 . 1 1 54 54 ARG CB C 54 30.441 30.441 29.883 0.558 19538 6179 1 11 . 1 1 54 54 ARG H H 54 8.191 8.191 8.246 -0.055 19538 6180 1 11 . 1 1 55 55 ASN N N 55 117.842 117.842 114.667 3.175 19538 6181 1 11 . 1 1 55 55 ASN HA H 55 4.713 4.713 4.664 0.049 19538 6182 1 11 . 1 1 55 55 ASN CA C 55 52.873 52.873 53.405 -0.532 19538 6183 1 11 . 1 1 55 55 ASN CB C 55 38.769 38.769 39.915 -1.146 19538 6184 1 11 . 1 1 55 55 ASN H H 55 8.205 8.205 8.620 -0.415 19538 6185 1 11 . 1 1 56 56 ARG N N 56 121.615 121.615 120.172 1.443 19538 6186 1 11 . 1 1 56 56 ARG HA H 56 4.542 4.542 4.755 -0.213 19538 6187 1 11 . 1 1 56 56 ARG CA C 56 53.765 53.765 53.432 0.333 19538 6188 1 11 . 1 1 56 56 ARG CB C 56 30.009 30.009 30.323 -0.314 19538 6189 1 11 . 1 1 56 56 ARG H H 56 8.246 8.246 8.363 -0.117 19538 6190 1 11 . 1 1 57 57 PRO HA H 57 4.273 4.273 4.463 -0.190 19538 6191 1 11 . 1 1 57 57 PRO CA C 57 62.424 62.424 61.352 1.072 19538 6192 1 11 . 1 1 57 57 PRO CB C 57 31.987 31.987 32.840 -0.854 19538 6193 1 11 . 1 1 58 58 ILE N N 58 122.700 122.700 120.583 2.117 19538 6194 1 11 . 1 1 58 58 ILE HA H 58 4.089 4.089 3.928 0.161 19538 6195 1 11 . 1 1 58 58 ILE CA C 58 60.655 60.655 62.233 -1.578 19538 6196 1 11 . 1 1 58 58 ILE CB C 58 37.111 37.111 35.309 1.802 19538 6197 1 11 . 1 1 58 58 ILE H H 58 8.098 8.098 8.299 -0.201 19538 6198 1 11 . 1 1 59 59 VAL N N 59 124.097 124.097 116.619 7.478 19538 6199 1 11 . 1 1 59 59 VAL HA H 59 4.549 4.549 4.581 -0.032 19538 6200 1 11 . 1 1 59 59 VAL CA C 59 59.613 59.613 59.026 0.587 19538 6201 1 11 . 1 1 59 59 VAL CB C 59 34.980 34.980 35.329 -0.349 19538 6202 1 11 . 1 1 59 59 VAL H H 59 8.167 8.167 8.139 0.028 19538 6203 1 11 . 1 1 60 60 SER N N 60 119.752 119.752 116.968 2.784 19538 6204 1 11 . 1 1 60 60 SER HA H 60 5.136 5.136 5.164 -0.028 19538 6205 1 11 . 1 1 60 60 SER CA C 60 56.467 56.467 56.975 -0.508 19538 6206 1 11 . 1 1 60 60 SER CB C 60 64.890 64.890 63.911 0.979 19538 6207 1 11 . 1 1 60 60 SER H H 60 8.592 8.592 8.441 0.151 19538 6208 1 11 . 1 1 61 61 THR N N 61 117.559 117.559 119.262 -1.703 19538 6209 1 11 . 1 1 61 61 THR HA H 61 4.576 4.576 4.203 0.373 19538 6210 1 11 . 1 1 61 61 THR CA C 61 61.348 61.348 61.987 -0.639 19538 6211 1 11 . 1 1 61 61 THR CB C 61 70.276 70.276 68.935 1.341 19538 6212 1 11 . 1 1 61 61 THR H H 61 9.214 9.214 8.872 0.342 19538 6213 1 11 . 1 1 62 62 LYS N N 62 123.743 123.743 127.359 -3.616 19538 6214 1 11 . 1 1 62 62 LYS HA H 62 5.507 5.507 4.358 1.149 19538 6215 1 11 . 1 1 62 62 LYS CA C 62 54.843 54.843 56.719 -1.876 19538 6216 1 11 . 1 1 62 62 LYS CB C 62 35.211 35.211 32.189 3.022 19538 6217 1 11 . 1 1 62 62 LYS H H 62 8.687 8.687 8.111 0.576 19538 6218 1 11 . 1 1 63 63 LYS N N 63 121.218 121.218 124.485 -3.267 19538 6219 1 11 . 1 1 63 63 LYS HA H 63 4.595 4.595 4.571 0.024 19538 6220 1 11 . 1 1 63 63 LYS CA C 63 54.760 54.760 55.036 -0.276 19538 6221 1 11 . 1 1 63 63 LYS CB C 63 36.712 36.712 36.137 0.575 19538 6222 1 11 . 1 1 63 63 LYS H H 63 8.797 8.797 8.333 0.464 19538 6223 1 11 . 1 1 64 64 LEU N N 64 124.605 124.605 126.015 -1.410 19538 6224 1 11 . 1 1 64 64 LEU HA H 64 4.920 4.920 4.912 0.008 19538 6225 1 11 . 1 1 64 64 LEU CA C 64 53.797 53.797 53.554 0.243 19538 6226 1 11 . 1 1 64 64 LEU CB C 64 43.553 43.553 42.232 1.321 19538 6227 1 11 . 1 1 64 64 LEU H H 64 8.604 8.604 8.594 0.010 19538 6228 1 11 . 1 1 65 65 ASP N N 65 122.577 122.577 126.850 -4.273 19538 6229 1 11 . 1 1 65 65 ASP HA H 65 4.664 4.664 4.999 -0.335 19538 6230 1 11 . 1 1 65 65 ASP CA C 65 51.824 51.824 52.793 -0.969 19538 6231 1 11 . 1 1 65 65 ASP CB C 65 41.277 41.277 43.703 -2.426 19538 6232 1 11 . 1 1 65 65 ASP H H 65 8.455 8.455 8.293 0.162 19538 6233 1 11 . 1 1 66 66 LYS N N 66 117.718 117.718 118.978 -1.260 19538 6234 1 11 . 1 1 66 66 LYS HA H 66 4.052 4.052 4.049 0.003 19538 6235 1 11 . 1 1 66 66 LYS CA C 66 58.116 58.116 58.594 -0.478 19538 6236 1 11 . 1 1 66 66 LYS CB C 66 31.677 31.677 32.075 -0.398 19538 6237 1 11 . 1 1 66 66 LYS H H 66 8.339 8.339 8.683 -0.344 19538 6238 1 11 . 1 1 67 67 GLU N N 67 118.253 118.253 118.120 0.133 19538 6239 1 11 . 1 1 67 67 GLU HA H 67 4.323 4.323 4.167 0.156 19538 6240 1 11 . 1 1 67 67 GLU CA C 67 56.018 56.018 57.159 -1.141 19538 6241 1 11 . 1 1 67 67 GLU CB C 67 29.587 29.587 29.335 0.252 19538 6242 1 11 . 1 1 67 67 GLU H H 67 8.096 8.096 8.231 -0.135 19538 6243 1 11 . 1 1 68 68 GLY N N 68 107.960 107.960 107.486 0.474 19538 6244 1 11 . 1 1 68 68 GLY CA C 68 45.213 45.213 45.368 -0.155 19538 6245 1 11 . 1 1 68 68 GLY H H 68 8.168 8.168 8.306 -0.138 19538 6246 1 11 . 1 1 69 69 ARG N N 69 121.436 121.436 117.339 4.097 19538 6247 1 11 . 1 1 69 69 ARG HA H 69 4.482 4.482 4.990 -0.508 19538 6248 1 11 . 1 1 69 69 ARG CA C 69 54.229 54.229 53.932 0.297 19538 6249 1 11 . 1 1 69 69 ARG CB C 69 30.399 30.399 33.791 -3.392 19538 6250 1 11 . 1 1 69 69 ARG H H 69 8.590 8.590 7.458 1.132 19538 6251 1 11 . 1 1 70 70 THR N N 70 120.709 120.709 119.452 1.257 19538 6252 1 11 . 1 1 70 70 THR HA H 70 4.298 4.298 4.850 -0.552 19538 6253 1 11 . 1 1 70 70 THR CA C 70 64.365 64.365 62.845 1.520 19538 6254 1 11 . 1 1 70 70 THR CB C 70 68.832 68.832 68.967 -0.135 19538 6255 1 11 . 1 1 70 70 THR H H 70 8.822 8.822 8.854 -0.032 19538 6256 1 11 . 1 1 71 71 HIS N N 71 127.496 127.496 127.413 0.083 19538 6257 1 11 . 1 1 71 71 HIS HA H 71 5.138 5.138 4.817 0.321 19538 6258 1 11 . 1 1 71 71 HIS CA C 71 53.948 53.948 55.506 -1.558 19538 6259 1 11 . 1 1 71 71 HIS CB C 71 31.791 31.791 31.751 0.040 19538 6260 1 11 . 1 1 71 71 HIS H H 71 9.384 9.384 9.714 -0.330 19538 6261 1 11 . 1 1 72 72 HIS N N 72 121.684 121.684 127.112 -5.428 19538 6262 1 11 . 1 1 72 72 HIS HA H 72 5.094 5.094 4.675 0.419 19538 6263 1 11 . 1 1 72 72 HIS CA C 72 54.390 54.390 55.238 -0.848 19538 6264 1 11 . 1 1 72 72 HIS CB C 72 33.961 33.961 30.613 3.348 19538 6265 1 11 . 1 1 72 72 HIS H H 72 9.076 9.076 9.337 -0.261 19538 6266 1 11 . 1 1 73 73 TYR N N 73 121.287 121.287 125.398 -4.111 19538 6267 1 11 . 1 1 73 73 TYR HA H 73 5.305 5.305 4.853 0.452 19538 6268 1 11 . 1 1 73 73 TYR CA C 73 56.017 56.017 57.608 -1.591 19538 6269 1 11 . 1 1 73 73 TYR CB C 73 39.479 39.479 38.464 1.015 19538 6270 1 11 . 1 1 73 73 TYR H H 73 9.305 9.305 8.960 0.345 19538 6271 1 11 . 1 1 74 74 MET N N 74 124.078 124.078 125.137 -1.059 19538 6272 1 11 . 1 1 74 74 MET HA H 74 4.867 4.867 5.659 -0.792 19538 6273 1 11 . 1 1 74 74 MET CA C 74 54.701 54.701 54.112 0.589 19538 6274 1 11 . 1 1 74 74 MET CB C 74 38.007 38.007 37.327 0.680 19538 6275 1 11 . 1 1 74 74 MET H H 74 8.761 8.761 8.609 0.152 19538 6276 1 11 . 1 1 75 75 ARG N N 75 123.962 123.962 123.763 0.199 19538 6277 1 11 . 1 1 75 75 ARG HA H 75 5.471 5.471 5.325 0.146 19538 6278 1 11 . 1 1 75 75 ARG CA C 75 53.340 53.340 54.972 -1.632 19538 6279 1 11 . 1 1 75 75 ARG CB C 75 34.441 34.441 33.484 0.957 19538 6280 1 11 . 1 1 75 75 ARG H H 75 8.427 8.427 8.552 -0.125 19538 6281 1 11 . 1 1 76 76 PHE N N 76 114.935 114.935 115.007 -0.072 19538 6282 1 11 . 1 1 76 76 PHE HA H 76 4.621 4.621 4.956 -0.335 19538 6283 1 11 . 1 1 76 76 PHE CA C 76 55.856 55.856 56.286 -0.430 19538 6284 1 11 . 1 1 76 76 PHE CB C 76 39.167 39.167 41.551 -2.385 19538 6285 1 11 . 1 1 76 76 PHE H H 76 8.296 8.296 8.780 -0.484 19538 6286 1 11 . 1 1 77 77 HIS N N 77 117.830 117.830 119.167 -1.337 19538 6287 1 11 . 1 1 77 77 HIS HA H 77 5.451 5.451 5.434 0.017 19538 6288 1 11 . 1 1 77 77 HIS CA C 77 54.767 54.767 56.180 -1.413 19538 6289 1 11 . 1 1 77 77 HIS CB C 77 31.102 31.102 32.678 -1.576 19538 6290 1 11 . 1 1 77 77 HIS H H 77 9.190 9.190 9.359 -0.169 19538 6291 1 11 . 1 1 78 78 VAL N N 78 114.372 114.372 122.983 -8.611 19538 6292 1 11 . 1 1 78 78 VAL HA H 78 5.110 5.110 5.158 -0.048 19538 6293 1 11 . 1 1 78 78 VAL CA C 78 59.653 59.653 59.159 0.494 19538 6294 1 11 . 1 1 78 78 VAL CB C 78 35.073 35.073 36.407 -1.334 19538 6295 1 11 . 1 1 78 78 VAL H H 78 7.860 7.860 9.476 -1.616 19538 6296 1 11 . 1 1 79 79 GLU N N 79 126.076 126.076 127.800 -1.724 19538 6297 1 11 . 1 1 79 79 GLU HA H 79 5.400 5.400 4.719 0.681 19538 6298 1 11 . 1 1 79 79 GLU CA C 79 54.316 54.316 55.468 -1.152 19538 6299 1 11 . 1 1 79 79 GLU CB C 79 34.060 34.060 31.566 2.494 19538 6300 1 11 . 1 1 79 79 GLU H H 79 9.213 9.213 9.124 0.089 19538 6301 1 11 . 1 1 80 80 SER N N 80 124.627 124.627 120.736 3.891 19538 6302 1 11 . 1 1 80 80 SER HA H 80 4.892 4.892 4.653 0.239 19538 6303 1 11 . 1 1 80 80 SER CA C 80 54.930 54.930 57.564 -2.634 19538 6304 1 11 . 1 1 80 80 SER CB C 80 67.503 67.503 64.131 3.372 19538 6305 1 11 . 1 1 80 80 SER H H 80 9.464 9.464 9.207 0.257 19538 6306 1 11 . 1 1 81 81 LYS N N 81 119.240 119.240 121.993 -2.753 19538 6307 1 11 . 1 1 81 81 LYS HA H 81 4.000 4.000 4.115 -0.115 19538 6308 1 11 . 1 1 81 81 LYS CA C 81 59.099 59.099 58.907 0.192 19538 6309 1 11 . 1 1 81 81 LYS CB C 81 31.721 31.721 32.380 -0.659 19538 6310 1 11 . 1 1 81 81 LYS H H 81 10.052 10.052 8.541 1.511 19538 6311 1 11 . 1 1 82 82 LYS N N 82 114.688 114.688 115.402 -0.714 19538 6312 1 11 . 1 1 82 82 LYS HA H 82 4.365 4.365 4.396 -0.031 19538 6313 1 11 . 1 1 82 82 LYS CA C 82 56.211 56.211 56.191 0.021 19538 6314 1 11 . 1 1 82 82 LYS CB C 82 36.484 36.484 33.846 2.638 19538 6315 1 11 . 1 1 82 82 LYS H H 82 7.782 7.782 8.294 -0.512 19538 6316 1 11 . 1 1 83 83 LYS N N 83 118.992 118.992 119.322 -0.330 19538 6317 1 11 . 1 1 83 83 LYS HA H 83 4.749 4.749 4.695 0.054 19538 6318 1 11 . 1 1 83 83 LYS CA C 83 53.590 53.590 54.718 -1.128 19538 6319 1 11 . 1 1 83 83 LYS CB C 83 39.218 39.218 35.981 3.237 19538 6320 1 11 . 1 1 83 83 LYS H H 83 7.962 7.962 7.569 0.393 19538 6321 1 11 . 1 1 84 84 ILE N N 84 118.513 118.513 120.157 -1.644 19538 6322 1 11 . 1 1 84 84 ILE HA H 84 4.556 4.556 4.519 0.037 19538 6323 1 11 . 1 1 84 84 ILE CA C 84 60.643 60.643 60.572 0.071 19538 6324 1 11 . 1 1 84 84 ILE CB C 84 39.946 39.946 38.779 1.167 19538 6325 1 11 . 1 1 84 84 ILE H H 84 7.927 7.927 8.464 -0.537 19538 6326 1 11 . 1 1 85 85 ALA N N 85 127.327 127.327 130.274 -2.947 19538 6327 1 11 . 1 1 85 85 ALA HA H 85 5.048 5.048 5.097 -0.049 19538 6328 1 11 . 1 1 85 85 ALA CA C 85 49.316 49.316 49.837 -0.521 19538 6329 1 11 . 1 1 85 85 ALA CB C 85 24.205 24.205 22.884 1.321 19538 6330 1 11 . 1 1 85 85 ALA H H 85 9.211 9.211 9.303 -0.092 19538 6331 1 11 . 1 1 86 86 LEU N N 86 122.978 122.978 121.681 1.297 19538 6332 1 11 . 1 1 86 86 LEU HA H 86 4.554 4.554 4.317 0.237 19538 6333 1 11 . 1 1 86 86 LEU CA C 86 53.671 53.671 53.603 0.068 19538 6334 1 11 . 1 1 86 86 LEU CB C 86 44.396 44.396 45.156 -0.760 19538 6335 1 11 . 1 1 86 86 LEU H H 86 8.312 8.312 9.090 -0.778 19538 6336 1 11 . 1 1 87 87 VAL N N 87 127.511 127.511 126.004 1.507 19538 6337 1 11 . 1 1 87 87 VAL HA H 87 4.244 4.244 4.383 -0.139 19538 6338 1 11 . 1 1 87 87 VAL CA C 87 60.226 60.226 60.630 -0.404 19538 6339 1 11 . 1 1 87 87 VAL CB C 87 31.609 31.609 32.959 -1.350 19538 6340 1 11 . 1 1 87 87 VAL H H 87 9.017 9.017 8.981 0.036 19538 6341 1 11 . 1 1 88 88 HIS N N 88 124.227 124.227 127.612 -3.385 19538 6342 1 11 . 1 1 88 88 HIS HA H 88 4.687 4.687 4.876 -0.189 19538 6343 1 11 . 1 1 88 88 HIS CA C 88 54.314 54.314 53.136 1.178 19538 6344 1 11 . 1 1 88 88 HIS CB C 88 33.245 33.245 32.360 0.885 19538 6345 1 11 . 1 1 88 88 HIS H H 88 8.104 8.104 8.892 -0.788 19538 6346 1 11 . 1 1 89 89 LEU N N 89 121.992 121.992 129.043 -7.051 19538 6347 1 11 . 1 1 89 89 LEU HA H 89 5.050 5.050 5.197 -0.147 19538 6348 1 11 . 1 1 89 89 LEU CA C 89 52.983 52.983 53.664 -0.681 19538 6349 1 11 . 1 1 89 89 LEU CB C 89 46.355 46.355 46.301 0.054 19538 6350 1 11 . 1 1 89 89 LEU H H 89 8.600 8.600 9.440 -0.840 19538 6351 1 11 . 1 1 90 90 GLU N N 90 121.551 121.551 125.030 -3.479 19538 6352 1 11 . 1 1 90 90 GLU HA H 90 5.253 5.253 5.768 -0.515 19538 6353 1 11 . 1 1 90 90 GLU CA C 90 53.422 53.422 54.217 -0.795 19538 6354 1 11 . 1 1 90 90 GLU CB C 90 33.238 33.238 33.968 -0.730 19538 6355 1 11 . 1 1 90 90 GLU H H 90 8.816 8.816 9.353 -0.537 19538 6356 1 11 . 1 1 91 91 ALA N N 91 128.266 128.266 125.685 2.581 19538 6357 1 11 . 1 1 91 91 ALA HA H 91 5.385 5.385 5.443 -0.058 19538 6358 1 11 . 1 1 91 91 ALA CA C 91 49.164 49.164 50.292 -1.128 19538 6359 1 11 . 1 1 91 91 ALA CB C 91 23.227 23.227 23.276 -0.049 19538 6360 1 11 . 1 1 91 91 ALA H H 91 9.287 9.287 8.601 0.686 19538 6361 1 11 . 1 1 92 92 LYS N N 92 121.573 121.573 119.526 2.047 19538 6362 1 11 . 1 1 92 92 LYS HA H 92 4.884 4.884 5.382 -0.498 19538 6363 1 11 . 1 1 92 92 LYS CA C 92 54.365 54.365 54.207 0.158 19538 6364 1 11 . 1 1 92 92 LYS CB C 92 36.427 36.427 35.333 1.094 19538 6365 1 11 . 1 1 92 92 LYS H H 92 9.160 9.160 8.576 0.584 19538 6366 1 11 . 1 1 93 93 GLU N N 93 127.022 127.022 126.220 0.802 19538 6367 1 11 . 1 1 93 93 GLU HA H 93 4.145 4.145 4.508 -0.363 19538 6368 1 11 . 1 1 93 93 GLU CA C 93 56.227 56.227 55.745 0.483 19538 6369 1 11 . 1 1 93 93 GLU CB C 93 30.986 30.986 30.786 0.200 19538 6370 1 11 . 1 1 93 93 GLU H H 93 8.525 8.525 9.417 -0.892 19538 6371 1 11 . 1 1 94 94 SER N N 94 120.676 120.676 121.757 -1.081 19538 6372 1 11 . 1 1 94 94 SER HA H 94 4.416 4.416 4.362 0.054 19538 6373 1 11 . 1 1 94 94 SER CA C 94 57.241 57.241 58.977 -1.736 19538 6374 1 11 . 1 1 94 94 SER CB C 94 63.634 63.634 63.855 -0.221 19538 6375 1 11 . 1 1 94 94 SER H H 94 8.877 8.877 8.663 0.214 19538 6376 1 11 . 1 1 95 95 LYS HA H 95 4.212 4.212 4.036 0.176 19538 6377 1 11 . 1 1 95 95 LYS CA C 95 56.036 56.036 58.476 -2.440 19538 6378 1 11 . 1 1 95 95 LYS CB C 95 33.113 33.113 32.062 1.051 19538 6379 1 11 . 1 1 96 96 GLN N N 96 118.641 118.641 116.727 1.914 19538 6380 1 11 . 1 1 96 96 GLN HA H 96 4.140 4.140 4.207 -0.067 19538 6381 1 11 . 1 1 96 96 GLN CA C 96 56.338 56.338 55.845 0.493 19538 6382 1 11 . 1 1 96 96 GLN CB C 96 28.958 28.958 29.164 -0.206 19538 6383 1 11 . 1 1 96 96 GLN H H 96 8.335 8.335 7.910 0.425 19538 6384 1 11 . 1 1 97 97 ASN N N 97 116.545 116.545 117.765 -1.220 19538 6385 1 11 . 1 1 97 97 ASN HA H 97 4.511 4.511 4.531 -0.020 19538 6386 1 11 . 1 1 97 97 ASN CA C 97 53.163 53.163 53.352 -0.189 19538 6387 1 11 . 1 1 97 97 ASN CB C 97 38.370 38.370 39.102 -0.733 19538 6388 1 11 . 1 1 97 97 ASN H H 97 8.199 8.199 7.910 0.288 19538 6389 1 11 . 1 1 98 98 TYR N N 98 119.134 119.134 123.218 -4.084 19538 6390 1 11 . 1 1 98 98 TYR HA H 98 4.482 4.482 4.280 0.202 19538 6391 1 11 . 1 1 98 98 TYR CA C 98 57.458 57.458 59.960 -2.502 19538 6392 1 11 . 1 1 98 98 TYR CB C 98 38.539 38.539 38.702 -0.162 19538 6393 1 11 . 1 1 98 98 TYR H H 98 7.918 7.918 8.576 -0.658 19538 6394 1 11 . 1 1 99 99 GLN N N 99 119.975 119.975 116.501 3.474 19538 6395 1 11 . 1 1 99 99 GLN HA H 99 4.440 4.440 4.693 -0.253 19538 6396 1 11 . 1 1 99 99 GLN CA C 99 53.092 53.092 52.678 0.414 19538 6397 1 11 . 1 1 99 99 GLN CB C 99 27.891 27.891 29.842 -1.951 19538 6398 1 11 . 1 1 99 99 GLN H H 99 7.992 7.992 8.649 -0.657 19538 6399 1 11 . 1 1 100 100 PRO HA H 100 4.294 4.294 4.328 -0.034 19538 6400 1 11 . 1 1 100 100 PRO CA C 100 62.415 62.415 61.913 0.502 19538 6401 1 11 . 1 1 100 100 PRO CB C 100 32.538 32.538 32.139 0.399 19538 6402 1 11 . 1 1 101 101 ASP N N 101 120.964 120.964 121.115 -0.151 19538 6403 1 11 . 1 1 101 101 ASP HA H 101 4.654 4.654 4.495 0.159 19538 6404 1 11 . 1 1 101 101 ASP CA C 101 52.845 52.845 52.708 0.137 19538 6405 1 11 . 1 1 101 101 ASP CB C 101 42.316 42.316 41.557 0.759 19538 6406 1 11 . 1 1 101 101 ASP H H 101 8.225 8.225 8.632 -0.407 19538 6407 1 11 . 1 1 102 102 PHE N N 102 122.913 122.913 125.465 -2.552 19538 6408 1 11 . 1 1 102 102 PHE HA H 102 4.642 4.642 4.422 0.220 19538 6409 1 11 . 1 1 102 102 PHE CA C 102 57.341 57.341 58.805 -1.464 19538 6410 1 11 . 1 1 102 102 PHE CB C 102 38.576 38.576 37.488 1.088 19538 6411 1 11 . 1 1 102 102 PHE H H 102 9.014 9.014 8.393 0.621 19538 6412 1 11 . 1 1 103 103 ILE N N 103 117.131 117.131 123.811 -6.680 19538 6413 1 11 . 1 1 103 103 ILE HA H 103 4.464 4.464 3.760 0.704 19538 6414 1 11 . 1 1 103 103 ILE CA C 103 60.346 60.346 63.781 -3.435 19538 6415 1 11 . 1 1 103 103 ILE CB C 103 39.243 39.243 38.441 0.802 19538 6416 1 11 . 1 1 103 103 ILE H H 103 8.765 8.765 7.965 0.800 19538 6417 1 11 . 1 1 104 104 ASN N N 104 117.264 117.264 116.351 0.913 19538 6418 1 11 . 1 1 104 104 ASN HA H 104 4.913 4.913 5.011 -0.098 19538 6419 1 11 . 1 1 104 104 ASN CA C 104 52.710 52.710 53.096 -0.387 19538 6420 1 11 . 1 1 104 104 ASN CB C 104 41.361 41.361 41.836 -0.475 19538 6421 1 11 . 1 1 104 104 ASN H H 104 7.441 7.441 8.079 -0.638 19538 6422 1 11 . 1 1 105 105 MET N N 105 125.685 125.685 125.956 -0.271 19538 6423 1 11 . 1 1 105 105 MET HA H 105 5.484 5.484 5.522 -0.038 19538 6424 1 11 . 1 1 105 105 MET CA C 105 56.071 56.071 54.199 1.872 19538 6425 1 11 . 1 1 105 105 MET CB C 105 34.514 34.514 35.493 -0.979 19538 6426 1 11 . 1 1 105 105 MET H H 105 9.244 9.244 8.465 0.779 19538 6427 1 11 . 1 1 106 106 TYR N N 106 125.856 125.856 120.891 4.965 19538 6428 1 11 . 1 1 106 106 TYR HA H 106 5.438 5.438 5.445 -0.007 19538 6429 1 11 . 1 1 106 106 TYR CA C 106 54.552 54.552 55.233 -0.681 19538 6430 1 11 . 1 1 106 106 TYR CB C 106 40.104 40.104 40.732 -0.628 19538 6431 1 11 . 1 1 106 106 TYR H H 106 8.893 8.893 8.926 -0.033 19538 6432 1 11 . 1 1 107 107 VAL N N 107 117.033 117.033 120.017 -2.984 19538 6433 1 11 . 1 1 107 107 VAL HA H 107 4.957 4.957 4.691 0.266 19538 6434 1 11 . 1 1 107 107 VAL CA C 107 60.008 60.008 60.962 -0.954 19538 6435 1 11 . 1 1 107 107 VAL CB C 107 35.319 35.319 34.853 0.466 19538 6436 1 11 . 1 1 107 107 VAL H H 107 9.041 9.041 9.295 -0.254 19538 6437 1 11 . 1 1 108 108 ASP N N 108 129.995 129.995 128.632 1.363 19538 6438 1 11 . 1 1 108 108 ASP HA H 108 5.240 5.240 5.013 0.227 19538 6439 1 11 . 1 1 108 108 ASP CA C 108 52.975 52.975 52.229 0.746 19538 6440 1 11 . 1 1 108 108 ASP CB C 108 42.245 42.245 42.941 -0.696 19538 6441 1 11 . 1 1 108 108 ASP H H 108 9.382 9.382 9.265 0.117 19538 6442 1 11 . 1 1 109 109 VAL N N 109 129.641 129.641 125.990 3.651 19538 6443 1 11 . 1 1 109 109 VAL HA H 109 4.464 4.464 4.528 -0.064 19538 6444 1 11 . 1 1 109 109 VAL CA C 109 58.694 58.694 58.259 0.435 19538 6445 1 11 . 1 1 109 109 VAL CB C 109 33.061 33.061 33.433 -0.372 19538 6446 1 11 . 1 1 109 109 VAL H H 109 9.181 9.181 8.287 0.894 19538 6447 1 11 . 1 1 110 110 PRO HA H 110 4.288 4.288 4.340 -0.052 19538 6448 1 11 . 1 1 110 110 PRO CA C 110 64.107 64.107 64.516 -0.409 19538 6449 1 11 . 1 1 110 110 PRO CB C 110 31.557 31.557 31.951 -0.394 19538 6450 1 11 . 1 1 111 111 GLY N N 111 112.873 112.873 110.982 1.891 19538 6451 1 11 . 1 1 111 111 GLY CA C 111 44.872 44.872 45.258 -0.386 19538 6452 1 11 . 1 1 111 111 GLY H H 111 8.839 8.839 8.761 0.078 19538 6453 1 11 . 1 1 112 112 GLU N N 112 118.157 118.157 119.780 -1.623 19538 6454 1 11 . 1 1 112 112 GLU HA H 112 4.858 4.858 4.654 0.204 19538 6455 1 11 . 1 1 112 112 GLU CA C 112 52.732 52.732 54.441 -1.710 19538 6456 1 11 . 1 1 112 112 GLU CB C 112 31.513 31.513 32.107 -0.594 19538 6457 1 11 . 1 1 112 112 GLU H H 112 8.136 8.136 7.921 0.215 19538 6458 1 11 . 1 1 113 113 LYS N N 113 121.944 121.944 121.507 0.437 19538 6459 1 11 . 1 1 113 113 LYS HA H 113 4.208 4.208 4.364 -0.156 19538 6460 1 11 . 1 1 113 113 LYS CA C 113 55.810 55.810 55.803 0.007 19538 6461 1 11 . 1 1 113 113 LYS CB C 113 32.157 32.157 33.096 -0.939 19538 6462 1 11 . 1 1 113 113 LYS H H 113 8.847 8.847 8.534 0.313 19538 6463 1 11 . 1 1 114 114 ARG N N 114 126.520 126.520 122.807 3.713 19538 6464 1 11 . 1 1 114 114 ARG HA H 114 4.064 4.064 4.357 -0.293 19538 6465 1 11 . 1 1 114 114 ARG CA C 114 57.914 57.914 56.499 1.415 19538 6466 1 11 . 1 1 114 114 ARG CB C 114 30.627 30.627 29.933 0.694 19538 6467 1 11 . 1 1 114 114 ARG H H 114 8.539 8.539 8.432 0.107 19538 6468 1 11 . 1 1 115 115 TYR N N 115 128.478 128.478 127.960 0.518 19538 6469 1 11 . 1 1 115 115 TYR HA H 115 4.671 4.671 4.680 -0.009 19538 6470 1 11 . 1 1 115 115 TYR CA C 115 56.519 56.519 56.623 -0.104 19538 6471 1 11 . 1 1 115 115 TYR CB C 115 40.193 40.193 40.605 -0.412 19538 6472 1 11 . 1 1 115 115 TYR H H 115 8.333 8.333 9.308 -0.975 19538 6473 1 11 . 1 1 116 116 TYR N N 116 127.101 127.101 128.387 -1.286 19538 6474 1 11 . 1 1 116 116 TYR HA H 116 4.553 4.553 4.768 -0.215 19538 6475 1 11 . 1 1 116 116 TYR CA C 116 58.502 58.502 57.920 0.581 19538 6476 1 11 . 1 1 116 116 TYR CB C 116 38.842 38.842 37.124 1.718 19538 6477 1 11 . 1 1 116 116 TYR H H 116 8.740 8.740 8.929 -0.189 19538 6478 1 11 . 1 1 117 117 LEU N N 117 125.574 125.574 127.221 -1.647 19538 6479 1 11 . 1 1 117 117 LEU HA H 117 4.394 4.394 4.384 0.010 19538 6480 1 11 . 1 1 117 117 LEU CA C 117 57.384 57.384 57.099 0.285 19538 6481 1 11 . 1 1 117 117 LEU CB C 117 43.272 43.272 42.763 0.509 19538 6482 1 11 . 1 1 117 117 LEU H H 117 8.427 8.427 8.550 -0.123 19538 6483 1 11 . 1 1 118 118 ILE N N 118 118.478 118.478 118.130 0.348 19538 6484 1 11 . 1 1 118 118 ILE HA H 118 4.199 4.199 4.251 -0.052 19538 6485 1 11 . 1 1 118 118 ILE CA C 118 60.074 60.074 60.196 -0.122 19538 6486 1 11 . 1 1 118 118 ILE CB C 118 40.895 40.895 39.931 0.964 19538 6487 1 11 . 1 1 118 118 ILE H H 118 7.983 7.983 8.132 -0.149 19538 6488 1 11 . 1 1 119 119 LYS N N 119 127.589 127.589 128.517 -0.928 19538 6489 1 11 . 1 1 119 119 LYS HA H 119 4.778 4.778 4.599 0.179 19538 6490 1 11 . 1 1 119 119 LYS CA C 119 53.232 53.232 53.271 -0.039 19538 6491 1 11 . 1 1 119 119 LYS CB C 119 32.581 32.581 31.274 1.307 19538 6492 1 11 . 1 1 119 119 LYS H H 119 8.550 8.550 8.584 -0.034 19538 6493 1 11 . 1 1 120 120 PRO HA H 120 4.534 4.534 5.017 -0.483 19538 6494 1 11 . 1 1 120 120 PRO CA C 120 62.395 62.395 61.948 0.447 19538 6495 1 11 . 1 1 120 120 PRO CB C 120 32.059 32.059 32.641 -0.582 19538 6496 1 11 . 1 1 121 121 LYS N N 121 122.191 122.191 121.341 0.850 19538 6497 1 11 . 1 1 121 121 LYS HA H 121 4.136 4.136 4.106 0.030 19538 6498 1 11 . 1 1 121 121 LYS CA C 121 55.840 55.840 55.328 0.512 19538 6499 1 11 . 1 1 121 121 LYS CB C 121 33.162 33.162 29.143 4.019 19538 6500 1 11 . 1 1 121 121 LYS H H 121 8.406 8.406 8.590 -0.184 19538 6501 1 11 . 1 1 122 122 LEU N N 122 122.972 122.972 120.024 2.948 19538 6502 1 11 . 1 1 122 122 LEU HA H 122 4.219 4.219 3.965 0.254 19538 6503 1 11 . 1 1 122 122 LEU CA C 122 54.494 54.494 56.672 -2.178 19538 6504 1 11 . 1 1 122 122 LEU CB C 122 41.990 41.990 42.006 -0.016 19538 6505 1 11 . 1 1 122 122 LEU H H 122 8.158 8.158 8.588 -0.430 19538 6506 1 11 . 1 1 123 123 HIS N N 123 121.608 121.608 110.510 11.098 19538 6507 1 11 . 1 1 123 123 HIS HA H 123 4.776 4.776 4.909 -0.133 19538 6508 1 11 . 1 1 123 123 HIS CA C 123 53.651 53.651 53.272 0.379 19538 6509 1 11 . 1 1 123 123 HIS CB C 123 30.145 30.145 29.067 1.078 19538 6510 1 11 . 1 1 123 123 HIS H H 123 8.172 8.172 7.254 0.918 19538 6511 1 11 . 1 1 124 124 PRO HA H 124 4.085 4.085 4.248 -0.163 19538 6512 1 11 . 1 1 124 124 PRO CA C 124 62.119 62.119 64.645 -2.526 19538 6513 1 11 . 1 1 124 124 PRO CB C 124 33.900 33.900 32.317 1.583 19538 6514 1 11 . 1 1 125 125 VAL N N 125 120.758 120.758 114.584 6.174 19538 6515 1 11 . 1 1 125 125 VAL HA H 125 4.085 4.085 4.238 -0.153 19538 6516 1 11 . 1 1 125 125 VAL CA C 125 61.791 61.791 62.607 -0.816 19538 6517 1 11 . 1 1 125 125 VAL CB C 125 32.635 32.635 32.397 0.238 19538 6518 1 11 . 1 1 125 125 VAL H H 125 8.361 8.361 7.483 0.878 19538 6519 1 11 . 1 1 126 126 SER N N 126 119.450 119.450 116.377 3.073 19538 6520 1 11 . 1 1 126 126 SER HA H 126 4.417 4.417 4.301 0.116 19538 6521 1 11 . 1 1 126 126 SER CA C 126 57.522 57.522 60.469 -2.947 19538 6522 1 11 . 1 1 126 126 SER CB C 126 63.634 63.634 63.524 0.110 19538 6523 1 11 . 1 1 126 126 SER H H 126 8.323 8.323 8.416 -0.093 19538 6524 1 12 . 1 1 2 2 ALA N N 2 122.815 122.815 124.763 -1.948 19538 6525 1 12 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.466 -0.173 19538 6526 1 12 . 1 1 2 2 ALA CA C 2 52.085 52.085 52.205 -0.119 19538 6527 1 12 . 1 1 2 2 ALA CB C 2 19.067 19.067 18.912 0.155 19538 6528 1 12 . 1 1 2 2 ALA H H 2 8.102 8.102 8.363 -0.261 19538 6529 1 12 . 1 1 3 3 MET N N 3 119.897 119.897 123.512 -3.615 19538 6530 1 12 . 1 1 3 3 MET HA H 3 4.401 4.401 4.255 0.146 19538 6531 1 12 . 1 1 3 3 MET CA C 3 55.339 55.339 54.345 0.994 19538 6532 1 12 . 1 1 3 3 MET CB C 3 32.938 32.938 29.631 3.307 19538 6533 1 12 . 1 1 3 3 MET H H 3 8.501 8.501 8.370 0.131 19538 6534 1 12 . 1 1 4 4 GLY N N 4 110.174 110.174 112.711 -2.537 19538 6535 1 12 . 1 1 4 4 GLY CA C 4 44.706 44.706 44.973 -0.267 19538 6536 1 12 . 1 1 4 4 GLY H H 4 8.498 8.498 8.572 -0.074 19538 6537 1 12 . 1 1 5 5 SER HA H 5 4.368 4.368 4.593 -0.225 19538 6538 1 12 . 1 1 5 5 SER CA C 5 58.467 58.467 58.249 0.218 19538 6539 1 12 . 1 1 5 5 SER CB C 5 63.530 63.530 64.178 -0.648 19538 6540 1 12 . 1 1 6 6 GLY CA C 6 45.983 45.983 47.836 -1.853 19538 6541 1 12 . 1 1 7 7 ASP N N 7 122.649 122.649 120.217 2.432 19538 6542 1 12 . 1 1 7 7 ASP HA H 7 4.375 4.375 4.481 -0.106 19538 6543 1 12 . 1 1 7 7 ASP CA C 7 56.523 56.523 57.304 -0.781 19538 6544 1 12 . 1 1 7 7 ASP CB C 7 40.235 40.235 39.014 1.221 19538 6545 1 12 . 1 1 7 7 ASP H H 7 8.457 8.457 8.628 -0.171 19538 6546 1 12 . 1 1 8 8 THR N N 8 116.751 116.751 117.013 -0.262 19538 6547 1 12 . 1 1 8 8 THR HA H 8 3.853 3.853 4.007 -0.154 19538 6548 1 12 . 1 1 8 8 THR CA C 8 66.104 66.104 66.713 -0.609 19538 6549 1 12 . 1 1 8 8 THR CB C 8 68.047 68.047 68.265 -0.218 19538 6550 1 12 . 1 1 8 8 THR H H 8 8.128 8.128 8.041 0.087 19538 6551 1 12 . 1 1 9 9 GLN N N 9 120.186 120.186 121.496 -1.310 19538 6552 1 12 . 1 1 9 9 GLN HA H 9 4.038 4.038 4.146 -0.108 19538 6553 1 12 . 1 1 9 9 GLN CA C 9 58.699 58.699 59.349 -0.650 19538 6554 1 12 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.576 -0.476 19538 6555 1 12 . 1 1 9 9 GLN H H 9 7.831 7.831 8.911 -1.080 19538 6556 1 12 . 1 1 10 10 LEU N N 10 120.735 120.735 120.443 0.292 19538 6557 1 12 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.245 -0.328 19538 6558 1 12 . 1 1 10 10 LEU CA C 10 58.126 58.126 58.606 -0.480 19538 6559 1 12 . 1 1 10 10 LEU CB C 10 41.935 41.935 41.635 0.300 19538 6560 1 12 . 1 1 10 10 LEU H H 10 7.670 7.670 8.979 -1.309 19538 6561 1 12 . 1 1 11 11 PHE N N 11 117.802 117.802 121.150 -3.348 19538 6562 1 12 . 1 1 11 11 PHE HA H 11 3.821 3.821 3.846 -0.025 19538 6563 1 12 . 1 1 11 11 PHE CA C 11 60.224 60.224 62.098 -1.874 19538 6564 1 12 . 1 1 11 11 PHE CB C 11 38.798 38.798 38.929 -0.131 19538 6565 1 12 . 1 1 11 11 PHE H H 11 7.939 7.939 9.354 -1.415 19538 6566 1 12 . 1 1 12 12 ASN N N 12 117.152 117.152 118.295 -1.143 19538 6567 1 12 . 1 1 12 12 ASN HA H 12 3.868 3.868 4.210 -0.342 19538 6568 1 12 . 1 1 12 12 ASN CA C 12 55.410 55.410 56.512 -1.102 19538 6569 1 12 . 1 1 12 12 ASN CB C 12 37.188 37.188 37.848 -0.660 19538 6570 1 12 . 1 1 12 12 ASN H H 12 8.562 8.562 8.911 -0.349 19538 6571 1 12 . 1 1 13 13 ARG N N 13 119.825 119.825 120.832 -1.007 19538 6572 1 12 . 1 1 13 13 ARG HA H 13 3.914 3.914 3.954 -0.040 19538 6573 1 12 . 1 1 13 13 ARG CA C 13 58.623 58.623 59.561 -0.938 19538 6574 1 12 . 1 1 13 13 ARG CB C 13 31.719 31.719 30.149 1.570 19538 6575 1 12 . 1 1 13 13 ARG H H 13 8.006 8.006 8.673 -0.667 19538 6576 1 12 . 1 1 14 14 ALA N N 14 122.749 122.749 123.306 -0.557 19538 6577 1 12 . 1 1 14 14 ALA HA H 14 3.938 3.938 3.978 -0.040 19538 6578 1 12 . 1 1 14 14 ALA CA C 14 54.976 54.976 55.209 -0.233 19538 6579 1 12 . 1 1 14 14 ALA CB C 14 19.446 19.446 18.560 0.886 19538 6580 1 12 . 1 1 14 14 ALA H H 14 8.163 8.163 8.717 -0.554 19538 6581 1 12 . 1 1 15 15 VAL N N 15 118.460 118.460 118.653 -0.193 19538 6582 1 12 . 1 1 15 15 VAL HA H 15 3.219 3.219 3.518 -0.299 19538 6583 1 12 . 1 1 15 15 VAL CA C 15 66.611 66.611 66.279 0.332 19538 6584 1 12 . 1 1 15 15 VAL CB C 15 30.889 30.889 30.990 -0.101 19538 6585 1 12 . 1 1 15 15 VAL H H 15 8.718 8.718 8.527 0.191 19538 6586 1 12 . 1 1 16 16 SER N N 16 113.102 113.102 115.643 -2.541 19538 6587 1 12 . 1 1 16 16 SER HA H 16 4.144 4.144 4.072 0.072 19538 6588 1 12 . 1 1 16 16 SER CA C 16 60.888 60.888 61.829 -0.941 19538 6589 1 12 . 1 1 16 16 SER CB C 16 62.503 62.503 62.985 -0.482 19538 6590 1 12 . 1 1 16 16 SER H H 16 7.243 7.243 8.130 -0.887 19538 6591 1 12 . 1 1 17 17 MET N N 17 117.447 117.447 120.220 -2.773 19538 6592 1 12 . 1 1 17 17 MET HA H 17 3.875 3.875 4.070 -0.195 19538 6593 1 12 . 1 1 17 17 MET CA C 17 58.575 58.575 58.953 -0.378 19538 6594 1 12 . 1 1 17 17 MET CB C 17 33.489 33.489 32.972 0.517 19538 6595 1 12 . 1 1 17 17 MET H H 17 7.232 7.232 8.315 -1.083 19538 6596 1 12 . 1 1 18 18 VAL N N 18 117.842 117.842 114.594 3.248 19538 6597 1 12 . 1 1 18 18 VAL HA H 18 3.357 3.357 3.940 -0.583 19538 6598 1 12 . 1 1 18 18 VAL CA C 18 66.065 66.065 65.256 0.809 19538 6599 1 12 . 1 1 18 18 VAL CB C 18 31.686 31.686 31.424 0.262 19538 6600 1 12 . 1 1 18 18 VAL H H 18 7.678 7.678 8.334 -0.656 19538 6601 1 12 . 1 1 19 19 GLU N N 19 113.150 113.150 119.801 -6.651 19538 6602 1 12 . 1 1 19 19 GLU HA H 19 3.618 3.618 3.955 -0.337 19538 6603 1 12 . 1 1 19 19 GLU CA C 19 58.198 58.198 59.614 -1.416 19538 6604 1 12 . 1 1 19 19 GLU CB C 19 29.786 29.786 29.550 0.236 19538 6605 1 12 . 1 1 19 19 GLU H H 19 8.378 8.378 8.437 -0.059 19538 6606 1 12 . 1 1 20 20 LYS N N 20 114.076 114.076 113.537 0.539 19538 6607 1 12 . 1 1 20 20 LYS HA H 20 4.243 4.243 4.369 -0.126 19538 6608 1 12 . 1 1 20 20 LYS CA C 20 55.725 55.725 54.621 1.104 19538 6609 1 12 . 1 1 20 20 LYS CB C 20 33.032 33.032 32.496 0.536 19538 6610 1 12 . 1 1 20 20 LYS H H 20 7.072 7.072 7.454 -0.382 19538 6611 1 12 . 1 1 21 21 ASN N N 21 121.025 121.025 121.447 -0.422 19538 6612 1 12 . 1 1 21 21 ASN HA H 21 4.555 4.555 4.524 0.031 19538 6613 1 12 . 1 1 21 21 ASN CA C 21 53.766 53.766 53.163 0.603 19538 6614 1 12 . 1 1 21 21 ASN CB C 21 39.835 39.835 39.102 0.733 19538 6615 1 12 . 1 1 21 21 ASN H H 21 7.230 7.230 7.711 -0.481 19538 6616 1 12 . 1 1 22 22 LYS N N 22 128.112 128.112 127.650 0.462 19538 6617 1 12 . 1 1 22 22 LYS HA H 22 3.698 3.698 3.862 -0.164 19538 6618 1 12 . 1 1 22 22 LYS CA C 22 59.519 59.519 59.964 -0.445 19538 6619 1 12 . 1 1 22 22 LYS CB C 22 32.140 32.140 31.479 0.661 19538 6620 1 12 . 1 1 22 22 LYS H H 22 8.846 8.846 8.761 0.085 19538 6621 1 12 . 1 1 23 23 ASP N N 23 120.250 120.250 120.060 0.190 19538 6622 1 12 . 1 1 23 23 ASP HA H 23 4.297 4.297 4.385 -0.088 19538 6623 1 12 . 1 1 23 23 ASP CA C 23 56.787 56.787 56.677 0.110 19538 6624 1 12 . 1 1 23 23 ASP CB C 23 39.444 39.444 40.127 -0.683 19538 6625 1 12 . 1 1 23 23 ASP H H 23 7.731 7.731 7.713 0.018 19538 6626 1 12 . 1 1 24 24 ILE N N 24 121.988 121.988 120.958 1.030 19538 6627 1 12 . 1 1 24 24 ILE HA H 24 3.219 3.219 3.406 -0.187 19538 6628 1 12 . 1 1 24 24 ILE CA C 24 63.375 63.375 65.584 -2.209 19538 6629 1 12 . 1 1 24 24 ILE CB C 24 35.424 35.424 37.731 -2.307 19538 6630 1 12 . 1 1 24 24 ILE H H 24 8.431 8.431 7.723 0.708 19538 6631 1 12 . 1 1 25 25 ARG N N 25 118.181 118.181 120.260 -2.079 19538 6632 1 12 . 1 1 25 25 ARG HA H 25 3.810 3.810 3.907 -0.097 19538 6633 1 12 . 1 1 25 25 ARG CA C 25 60.546 60.546 60.415 0.131 19538 6634 1 12 . 1 1 25 25 ARG CB C 25 30.205 30.205 29.929 0.276 19538 6635 1 12 . 1 1 25 25 ARG H H 25 8.206 8.206 8.855 -0.649 19538 6636 1 12 . 1 1 26 26 SER N N 26 112.549 112.549 115.768 -3.219 19538 6637 1 12 . 1 1 26 26 SER HA H 26 4.373 4.373 4.145 0.228 19538 6638 1 12 . 1 1 26 26 SER CA C 26 61.040 61.040 62.265 -1.225 19538 6639 1 12 . 1 1 26 26 SER CB C 26 62.096 62.096 62.917 -0.821 19538 6640 1 12 . 1 1 26 26 SER H H 26 7.518 7.518 8.023 -0.505 19538 6641 1 12 . 1 1 27 27 LEU N N 27 125.275 125.275 121.698 3.577 19538 6642 1 12 . 1 1 27 27 LEU HA H 27 4.013 4.013 4.032 -0.019 19538 6643 1 12 . 1 1 27 27 LEU CA C 27 57.652 57.652 57.710 -0.058 19538 6644 1 12 . 1 1 27 27 LEU CB C 27 42.548 42.548 41.944 0.604 19538 6645 1 12 . 1 1 27 27 LEU H H 27 8.050 8.050 7.913 0.137 19538 6646 1 12 . 1 1 28 28 LEU N N 28 114.725 114.725 113.773 0.952 19538 6647 1 12 . 1 1 28 28 LEU HA H 28 3.863 3.863 4.180 -0.317 19538 6648 1 12 . 1 1 28 28 LEU CA C 28 54.299 54.299 55.566 -1.268 19538 6649 1 12 . 1 1 28 28 LEU CB C 28 42.874 42.874 42.169 0.705 19538 6650 1 12 . 1 1 28 28 LEU H H 28 8.010 8.010 8.426 -0.416 19538 6651 1 12 . 1 1 29 29 GLN N N 29 116.444 116.444 113.451 2.993 19538 6652 1 12 . 1 1 29 29 GLN HA H 29 3.854 3.854 3.957 -0.103 19538 6653 1 12 . 1 1 29 29 GLN CA C 29 55.652 55.652 56.618 -0.966 19538 6654 1 12 . 1 1 29 29 GLN CB C 29 25.300 25.300 25.252 0.048 19538 6655 1 12 . 1 1 29 29 GLN H H 29 7.972 7.972 8.207 -0.235 19538 6656 1 12 . 1 1 30 30 CYS N N 30 116.363 116.363 120.672 -4.309 19538 6657 1 12 . 1 1 30 30 CYS HA H 30 4.133 4.133 4.182 -0.049 19538 6658 1 12 . 1 1 30 30 CYS CA C 30 61.559 61.559 59.926 1.633 19538 6659 1 12 . 1 1 30 30 CYS CB C 30 27.701 27.701 25.686 2.015 19538 6660 1 12 . 1 1 30 30 CYS H H 30 7.847 7.847 8.952 -1.105 19538 6661 1 12 . 1 1 31 31 ASP N N 31 125.091 125.091 126.029 -0.938 19538 6662 1 12 . 1 1 31 31 ASP HA H 31 4.598 4.598 4.730 -0.132 19538 6663 1 12 . 1 1 31 31 ASP CA C 31 52.428 52.428 53.164 -0.736 19538 6664 1 12 . 1 1 31 31 ASP CB C 31 39.156 39.156 39.802 -0.646 19538 6665 1 12 . 1 1 31 31 ASP H H 31 9.918 9.918 8.981 0.937 19538 6666 1 12 . 1 1 32 32 ASP N N 32 124.593 124.593 121.471 3.122 19538 6667 1 12 . 1 1 32 32 ASP HA H 32 5.131 5.131 4.241 0.890 19538 6668 1 12 . 1 1 32 32 ASP CA C 32 52.190 52.190 56.586 -4.396 19538 6669 1 12 . 1 1 32 32 ASP CB C 32 41.542 41.542 40.933 0.609 19538 6670 1 12 . 1 1 32 32 ASP H H 32 7.532 7.532 7.747 -0.214 19538 6671 1 12 . 1 1 33 33 GLY N N 33 109.888 109.888 113.201 -3.313 19538 6672 1 12 . 1 1 33 33 GLY CA C 33 44.840 44.840 45.164 -0.324 19538 6673 1 12 . 1 1 33 33 GLY H H 33 7.912 7.912 9.117 -1.205 19538 6674 1 12 . 1 1 34 34 ILE HA H 34 3.978 3.978 3.975 0.003 19538 6675 1 12 . 1 1 34 34 ILE CA C 34 63.210 63.210 63.395 -0.185 19538 6676 1 12 . 1 1 34 34 ILE CB C 34 38.027 38.027 38.928 -0.902 19538 6677 1 12 . 1 1 35 35 THR N N 35 109.823 109.823 112.978 -3.155 19538 6678 1 12 . 1 1 35 35 THR HA H 35 4.291 4.291 4.434 -0.143 19538 6679 1 12 . 1 1 35 35 THR CA C 35 61.511 61.511 60.956 0.555 19538 6680 1 12 . 1 1 35 35 THR CB C 35 68.374 68.374 67.736 0.638 19538 6681 1 12 . 1 1 35 35 THR H H 35 7.995 7.995 7.967 0.028 19538 6682 1 12 . 1 1 36 36 GLY N N 36 109.916 109.916 110.942 -1.026 19538 6683 1 12 . 1 1 36 36 GLY CA C 36 44.282 44.282 44.765 -0.483 19538 6684 1 12 . 1 1 36 36 GLY H H 36 7.564 7.564 7.535 0.029 19538 6685 1 12 . 1 1 37 37 LYS N N 37 119.833 119.833 122.093 -2.260 19538 6686 1 12 . 1 1 37 37 LYS HA H 37 4.442 4.442 4.721 -0.279 19538 6687 1 12 . 1 1 37 37 LYS CA C 37 54.520 54.520 55.759 -1.239 19538 6688 1 12 . 1 1 37 37 LYS CB C 37 33.208 33.208 33.206 0.002 19538 6689 1 12 . 1 1 37 37 LYS H H 37 8.236 8.236 8.384 -0.148 19538 6690 1 12 . 1 1 38 38 GLU N N 38 125.697 125.697 126.117 -0.420 19538 6691 1 12 . 1 1 38 38 GLU HA H 38 3.907 3.907 4.396 -0.489 19538 6692 1 12 . 1 1 38 38 GLU CA C 38 56.731 56.731 55.770 0.961 19538 6693 1 12 . 1 1 38 38 GLU CB C 38 29.779 29.779 31.250 -1.471 19538 6694 1 12 . 1 1 38 38 GLU H H 38 8.175 8.175 8.521 -0.346 19538 6695 1 12 . 1 1 39 39 ARG N N 39 128.738 128.738 124.485 4.253 19538 6696 1 12 . 1 1 39 39 ARG HA H 39 4.260 4.260 4.384 -0.124 19538 6697 1 12 . 1 1 39 39 ARG CA C 39 55.343 55.343 54.757 0.586 19538 6698 1 12 . 1 1 39 39 ARG CB C 39 29.529 29.529 30.291 -0.762 19538 6699 1 12 . 1 1 39 39 ARG H H 39 8.920 8.920 8.654 0.266 19538 6700 1 12 . 1 1 40 40 LEU N N 40 127.659 127.659 125.334 2.325 19538 6701 1 12 . 1 1 40 40 LEU HA H 40 4.488 4.488 4.670 -0.182 19538 6702 1 12 . 1 1 40 40 LEU CA C 40 53.848 53.848 54.947 -1.099 19538 6703 1 12 . 1 1 40 40 LEU CB C 40 42.333 42.333 42.413 -0.080 19538 6704 1 12 . 1 1 40 40 LEU H H 40 8.670 8.670 8.437 0.233 19538 6705 1 12 . 1 1 41 41 LYS N N 41 121.136 121.136 123.685 -2.549 19538 6706 1 12 . 1 1 41 41 LYS HA H 41 4.647 4.647 4.754 -0.107 19538 6707 1 12 . 1 1 41 41 LYS CA C 41 55.062 55.062 55.002 0.060 19538 6708 1 12 . 1 1 41 41 LYS CB C 41 35.064 35.064 36.130 -1.066 19538 6709 1 12 . 1 1 41 41 LYS H H 41 8.273 8.273 8.190 0.083 19538 6710 1 12 . 1 1 42 42 ALA N N 42 123.758 123.758 123.690 0.068 19538 6711 1 12 . 1 1 42 42 ALA HA H 42 5.605 5.605 5.390 0.215 19538 6712 1 12 . 1 1 42 42 ALA CA C 42 50.529 50.529 51.219 -0.690 19538 6713 1 12 . 1 1 42 42 ALA CB C 42 22.577 22.577 22.131 0.446 19538 6714 1 12 . 1 1 42 42 ALA H H 42 8.488 8.488 8.450 0.038 19538 6715 1 12 . 1 1 43 43 TYR N N 43 116.716 116.716 118.326 -1.610 19538 6716 1 12 . 1 1 43 43 TYR HA H 43 4.758 4.758 5.019 -0.261 19538 6717 1 12 . 1 1 43 43 TYR CA C 43 55.975 55.975 56.169 -0.194 19538 6718 1 12 . 1 1 43 43 TYR CB C 43 38.409 38.409 40.347 -1.938 19538 6719 1 12 . 1 1 43 43 TYR H H 43 8.123 8.123 9.260 -1.137 19538 6720 1 12 . 1 1 44 44 GLY N N 44 106.591 106.591 106.688 -0.097 19538 6721 1 12 . 1 1 44 44 GLY CA C 44 45.172 45.172 44.173 0.999 19538 6722 1 12 . 1 1 44 44 GLY H H 44 8.663 8.663 8.542 0.121 19538 6723 1 12 . 1 1 45 45 GLU N N 45 118.850 118.850 122.229 -3.379 19538 6724 1 12 . 1 1 45 45 GLU HA H 45 4.310 4.310 3.493 0.817 19538 6725 1 12 . 1 1 45 45 GLU CA C 45 56.286 56.286 57.652 -1.366 19538 6726 1 12 . 1 1 45 45 GLU CB C 45 31.304 31.304 28.519 2.785 19538 6727 1 12 . 1 1 45 45 GLU H H 45 8.287 8.287 7.885 0.402 19538 6728 1 12 . 1 1 46 46 LEU N N 46 124.692 124.692 126.330 -1.638 19538 6729 1 12 . 1 1 46 46 LEU HA H 46 4.361 4.361 4.019 0.342 19538 6730 1 12 . 1 1 46 46 LEU CA C 46 54.967 54.967 57.922 -2.955 19538 6731 1 12 . 1 1 46 46 LEU CB C 46 41.980 41.980 40.789 1.191 19538 6732 1 12 . 1 1 46 46 LEU H H 46 9.010 9.010 9.021 -0.011 19538 6733 1 12 . 1 1 47 47 ILE N N 47 123.302 123.302 116.377 6.925 19538 6734 1 12 . 1 1 47 47 ILE HA H 47 4.272 4.272 3.524 0.748 19538 6735 1 12 . 1 1 47 47 ILE CA C 47 60.399 60.399 64.139 -3.740 19538 6736 1 12 . 1 1 47 47 ILE CB C 47 38.676 38.676 36.826 1.850 19538 6737 1 12 . 1 1 47 47 ILE H H 47 8.407 8.407 8.268 0.139 19538 6738 1 12 . 1 1 48 48 THR N N 48 117.749 117.749 114.968 2.781 19538 6739 1 12 . 1 1 48 48 THR HA H 48 4.330 4.330 3.943 0.387 19538 6740 1 12 . 1 1 48 48 THR CA C 48 61.234 61.234 65.063 -3.829 19538 6741 1 12 . 1 1 48 48 THR CB C 48 69.327 69.327 68.433 0.894 19538 6742 1 12 . 1 1 48 48 THR H H 48 8.183 8.183 7.664 0.519 19538 6743 1 12 . 1 1 49 49 ASN N N 49 120.102 120.102 120.699 -0.597 19538 6744 1 12 . 1 1 49 49 ASN HA H 49 4.585 4.585 4.586 -0.001 19538 6745 1 12 . 1 1 49 49 ASN CA C 49 53.193 53.193 55.069 -1.876 19538 6746 1 12 . 1 1 49 49 ASN CB C 49 38.261 38.261 38.369 -0.108 19538 6747 1 12 . 1 1 49 49 ASN H H 49 8.418 8.418 8.187 0.231 19538 6748 1 12 . 1 1 50 50 ASP N N 50 119.783 119.783 121.544 -1.761 19538 6749 1 12 . 1 1 50 50 ASP HA H 50 4.454 4.454 4.296 0.158 19538 6750 1 12 . 1 1 50 50 ASP CA C 50 53.950 53.950 56.588 -2.638 19538 6751 1 12 . 1 1 50 50 ASP CB C 50 41.231 41.231 41.025 0.206 19538 6752 1 12 . 1 1 50 50 ASP H H 50 8.096 8.096 8.660 -0.564 19538 6753 1 12 . 1 1 51 51 LYS N N 51 120.547 120.547 118.746 1.801 19538 6754 1 12 . 1 1 51 51 LYS HA H 51 4.017 4.017 3.964 0.053 19538 6755 1 12 . 1 1 51 51 LYS CA C 51 56.633 56.633 57.832 -1.199 19538 6756 1 12 . 1 1 51 51 LYS CB C 51 32.052 32.052 32.026 0.026 19538 6757 1 12 . 1 1 51 51 LYS H H 51 8.173 8.173 7.839 0.334 19538 6758 1 12 . 1 1 52 52 TRP N N 52 120.062 120.062 117.316 2.746 19538 6759 1 12 . 1 1 52 52 TRP HA H 52 4.617 4.617 4.799 -0.182 19538 6760 1 12 . 1 1 52 52 TRP CA C 52 57.045 57.045 57.911 -0.866 19538 6761 1 12 . 1 1 52 52 TRP CB C 52 29.251 29.251 30.683 -1.432 19538 6762 1 12 . 1 1 52 52 TRP H H 52 8.094 8.094 8.244 -0.150 19538 6763 1 12 . 1 1 53 53 THR N N 53 115.770 115.770 110.683 5.087 19538 6764 1 12 . 1 1 53 53 THR HA H 53 4.262 4.262 4.549 -0.287 19538 6765 1 12 . 1 1 53 53 THR CA C 53 61.625 61.625 61.244 0.381 19538 6766 1 12 . 1 1 53 53 THR CB C 53 69.153 69.153 69.569 -0.416 19538 6767 1 12 . 1 1 53 53 THR H H 53 7.789 7.789 8.072 -0.283 19538 6768 1 12 . 1 1 54 54 ARG N N 54 122.136 122.136 121.882 0.254 19538 6769 1 12 . 1 1 54 54 ARG HA H 54 4.133 4.133 4.003 0.130 19538 6770 1 12 . 1 1 54 54 ARG CA C 54 56.038 56.038 58.770 -2.732 19538 6771 1 12 . 1 1 54 54 ARG CB C 54 30.441 30.441 29.377 1.064 19538 6772 1 12 . 1 1 54 54 ARG H H 54 8.191 8.191 8.170 0.021 19538 6773 1 12 . 1 1 55 55 ASN N N 55 117.842 117.842 116.218 1.624 19538 6774 1 12 . 1 1 55 55 ASN HA H 55 4.713 4.713 4.630 0.083 19538 6775 1 12 . 1 1 55 55 ASN CA C 55 52.873 52.873 53.665 -0.792 19538 6776 1 12 . 1 1 55 55 ASN CB C 55 38.769 38.769 39.250 -0.481 19538 6777 1 12 . 1 1 55 55 ASN H H 55 8.205 8.205 8.791 -0.587 19538 6778 1 12 . 1 1 56 56 ARG N N 56 121.615 121.615 120.516 1.099 19538 6779 1 12 . 1 1 56 56 ARG HA H 56 4.542 4.542 4.780 -0.238 19538 6780 1 12 . 1 1 56 56 ARG CA C 56 53.765 53.765 53.365 0.400 19538 6781 1 12 . 1 1 56 56 ARG CB C 56 30.009 30.009 30.345 -0.336 19538 6782 1 12 . 1 1 56 56 ARG H H 56 8.246 8.246 8.314 -0.068 19538 6783 1 12 . 1 1 57 57 PRO HA H 57 4.273 4.273 4.585 -0.312 19538 6784 1 12 . 1 1 57 57 PRO CA C 57 62.424 62.424 61.023 1.401 19538 6785 1 12 . 1 1 57 57 PRO CB C 57 31.987 31.987 33.010 -1.022 19538 6786 1 12 . 1 1 58 58 ILE N N 58 122.700 122.700 120.571 2.129 19538 6787 1 12 . 1 1 58 58 ILE HA H 58 4.089 4.089 3.968 0.121 19538 6788 1 12 . 1 1 58 58 ILE CA C 58 60.655 60.655 62.280 -1.625 19538 6789 1 12 . 1 1 58 58 ILE CB C 58 37.111 37.111 35.424 1.687 19538 6790 1 12 . 1 1 58 58 ILE H H 58 8.098 8.098 8.398 -0.300 19538 6791 1 12 . 1 1 59 59 VAL N N 59 124.097 124.097 119.948 4.149 19538 6792 1 12 . 1 1 59 59 VAL HA H 59 4.549 4.549 4.993 -0.444 19538 6793 1 12 . 1 1 59 59 VAL CA C 59 59.613 59.613 59.199 0.414 19538 6794 1 12 . 1 1 59 59 VAL CB C 59 34.980 34.980 35.553 -0.573 19538 6795 1 12 . 1 1 59 59 VAL H H 59 8.167 8.167 8.380 -0.213 19538 6796 1 12 . 1 1 60 60 SER N N 60 119.752 119.752 116.654 3.098 19538 6797 1 12 . 1 1 60 60 SER HA H 60 5.136 5.136 5.345 -0.209 19538 6798 1 12 . 1 1 60 60 SER CA C 60 56.467 56.467 56.294 0.173 19538 6799 1 12 . 1 1 60 60 SER CB C 60 64.890 64.890 63.750 1.140 19538 6800 1 12 . 1 1 60 60 SER H H 60 8.592 8.592 8.381 0.211 19538 6801 1 12 . 1 1 61 61 THR N N 61 117.559 117.559 117.372 0.187 19538 6802 1 12 . 1 1 61 61 THR HA H 61 4.576 4.576 4.240 0.336 19538 6803 1 12 . 1 1 61 61 THR CA C 61 61.348 61.348 62.480 -1.131 19538 6804 1 12 . 1 1 61 61 THR CB C 61 70.276 70.276 69.305 0.971 19538 6805 1 12 . 1 1 61 61 THR H H 61 9.214 9.214 8.975 0.239 19538 6806 1 12 . 1 1 62 62 LYS N N 62 123.743 123.743 127.453 -3.710 19538 6807 1 12 . 1 1 62 62 LYS HA H 62 5.507 5.507 4.461 1.046 19538 6808 1 12 . 1 1 62 62 LYS CA C 62 54.843 54.843 56.144 -1.301 19538 6809 1 12 . 1 1 62 62 LYS CB C 62 35.211 35.211 32.599 2.612 19538 6810 1 12 . 1 1 62 62 LYS H H 62 8.687 8.687 8.494 0.193 19538 6811 1 12 . 1 1 63 63 LYS N N 63 121.218 121.218 124.445 -3.227 19538 6812 1 12 . 1 1 63 63 LYS HA H 63 4.595 4.595 4.586 0.009 19538 6813 1 12 . 1 1 63 63 LYS CA C 63 54.760 54.760 55.114 -0.354 19538 6814 1 12 . 1 1 63 63 LYS CB C 63 36.712 36.712 35.868 0.844 19538 6815 1 12 . 1 1 63 63 LYS H H 63 8.797 8.797 8.550 0.247 19538 6816 1 12 . 1 1 64 64 LEU N N 64 124.605 124.605 126.317 -1.712 19538 6817 1 12 . 1 1 64 64 LEU HA H 64 4.920 4.920 5.003 -0.083 19538 6818 1 12 . 1 1 64 64 LEU CA C 64 53.797 53.797 53.499 0.298 19538 6819 1 12 . 1 1 64 64 LEU CB C 64 43.553 43.553 42.960 0.593 19538 6820 1 12 . 1 1 64 64 LEU H H 64 8.604 8.604 8.625 -0.021 19538 6821 1 12 . 1 1 65 65 ASP N N 65 122.577 122.577 125.868 -3.291 19538 6822 1 12 . 1 1 65 65 ASP HA H 65 4.664 4.664 5.049 -0.385 19538 6823 1 12 . 1 1 65 65 ASP CA C 65 51.824 51.824 52.614 -0.790 19538 6824 1 12 . 1 1 65 65 ASP CB C 65 41.277 41.277 44.122 -2.845 19538 6825 1 12 . 1 1 65 65 ASP H H 65 8.455 8.455 8.319 0.136 19538 6826 1 12 . 1 1 66 66 LYS N N 66 117.718 117.718 121.873 -4.155 19538 6827 1 12 . 1 1 66 66 LYS HA H 66 4.052 4.052 3.910 0.142 19538 6828 1 12 . 1 1 66 66 LYS CA C 66 58.116 58.116 59.249 -1.133 19538 6829 1 12 . 1 1 66 66 LYS CB C 66 31.677 31.677 31.553 0.124 19538 6830 1 12 . 1 1 66 66 LYS H H 66 8.339 8.339 8.761 -0.422 19538 6831 1 12 . 1 1 67 67 GLU N N 67 118.253 118.253 118.445 -0.192 19538 6832 1 12 . 1 1 67 67 GLU HA H 67 4.323 4.323 4.159 0.164 19538 6833 1 12 . 1 1 67 67 GLU CA C 67 56.018 56.018 56.755 -0.737 19538 6834 1 12 . 1 1 67 67 GLU CB C 67 29.587 29.587 29.269 0.318 19538 6835 1 12 . 1 1 67 67 GLU H H 67 8.096 8.096 7.801 0.295 19538 6836 1 12 . 1 1 68 68 GLY N N 68 107.960 107.960 107.468 0.492 19538 6837 1 12 . 1 1 68 68 GLY CA C 68 45.213 45.213 45.289 -0.076 19538 6838 1 12 . 1 1 68 68 GLY H H 68 8.168 8.168 8.810 -0.642 19538 6839 1 12 . 1 1 69 69 ARG N N 69 121.436 121.436 119.954 1.482 19538 6840 1 12 . 1 1 69 69 ARG HA H 69 4.482 4.482 5.178 -0.696 19538 6841 1 12 . 1 1 69 69 ARG CA C 69 54.229 54.229 53.182 1.047 19538 6842 1 12 . 1 1 69 69 ARG CB C 69 30.399 30.399 31.073 -0.674 19538 6843 1 12 . 1 1 69 69 ARG H H 69 8.590 8.590 7.423 1.167 19538 6844 1 12 . 1 1 70 70 THR N N 70 120.709 120.709 121.001 -0.292 19538 6845 1 12 . 1 1 70 70 THR HA H 70 4.298 4.298 4.948 -0.650 19538 6846 1 12 . 1 1 70 70 THR CA C 70 64.365 64.365 62.559 1.806 19538 6847 1 12 . 1 1 70 70 THR CB C 70 68.832 68.832 69.337 -0.505 19538 6848 1 12 . 1 1 70 70 THR H H 70 8.822 8.822 8.412 0.410 19538 6849 1 12 . 1 1 71 71 HIS N N 71 127.496 127.496 126.906 0.590 19538 6850 1 12 . 1 1 71 71 HIS HA H 71 5.138 5.138 4.841 0.297 19538 6851 1 12 . 1 1 71 71 HIS CA C 71 53.948 53.948 55.555 -1.607 19538 6852 1 12 . 1 1 71 71 HIS CB C 71 31.791 31.791 31.728 0.063 19538 6853 1 12 . 1 1 71 71 HIS H H 71 9.384 9.384 9.701 -0.317 19538 6854 1 12 . 1 1 72 72 HIS N N 72 121.684 121.684 127.046 -5.362 19538 6855 1 12 . 1 1 72 72 HIS HA H 72 5.094 5.094 4.805 0.289 19538 6856 1 12 . 1 1 72 72 HIS CA C 72 54.390 54.390 55.130 -0.740 19538 6857 1 12 . 1 1 72 72 HIS CB C 72 33.961 33.961 30.503 3.458 19538 6858 1 12 . 1 1 72 72 HIS H H 72 9.076 9.076 9.410 -0.334 19538 6859 1 12 . 1 1 73 73 TYR N N 73 121.287 121.287 125.866 -4.579 19538 6860 1 12 . 1 1 73 73 TYR HA H 73 5.305 5.305 4.942 0.363 19538 6861 1 12 . 1 1 73 73 TYR CA C 73 56.017 56.017 57.867 -1.850 19538 6862 1 12 . 1 1 73 73 TYR CB C 73 39.479 39.479 38.978 0.501 19538 6863 1 12 . 1 1 73 73 TYR H H 73 9.305 9.305 8.478 0.827 19538 6864 1 12 . 1 1 74 74 MET N N 74 124.078 124.078 125.485 -1.407 19538 6865 1 12 . 1 1 74 74 MET HA H 74 4.867 4.867 5.705 -0.838 19538 6866 1 12 . 1 1 74 74 MET CA C 74 54.701 54.701 54.194 0.507 19538 6867 1 12 . 1 1 74 74 MET CB C 74 38.007 38.007 36.621 1.386 19538 6868 1 12 . 1 1 74 74 MET H H 74 8.761 8.761 9.524 -0.763 19538 6869 1 12 . 1 1 75 75 ARG N N 75 123.962 123.962 125.092 -1.130 19538 6870 1 12 . 1 1 75 75 ARG HA H 75 5.471 5.471 5.770 -0.299 19538 6871 1 12 . 1 1 75 75 ARG CA C 75 53.340 53.340 54.155 -0.815 19538 6872 1 12 . 1 1 75 75 ARG CB C 75 34.441 34.441 32.876 1.565 19538 6873 1 12 . 1 1 75 75 ARG H H 75 8.427 8.427 8.574 -0.147 19538 6874 1 12 . 1 1 76 76 PHE N N 76 114.935 114.935 116.755 -1.820 19538 6875 1 12 . 1 1 76 76 PHE HA H 76 4.621 4.621 4.803 -0.182 19538 6876 1 12 . 1 1 76 76 PHE CA C 76 55.856 55.856 56.343 -0.487 19538 6877 1 12 . 1 1 76 76 PHE CB C 76 39.167 39.167 41.377 -2.210 19538 6878 1 12 . 1 1 76 76 PHE H H 76 8.296 8.296 8.929 -0.633 19538 6879 1 12 . 1 1 77 77 HIS N N 77 117.830 117.830 118.558 -0.728 19538 6880 1 12 . 1 1 77 77 HIS HA H 77 5.451 5.451 5.654 -0.203 19538 6881 1 12 . 1 1 77 77 HIS CA C 77 54.767 54.767 53.570 1.197 19538 6882 1 12 . 1 1 77 77 HIS CB C 77 31.102 31.102 32.199 -1.097 19538 6883 1 12 . 1 1 77 77 HIS H H 77 9.190 9.190 9.321 -0.131 19538 6884 1 12 . 1 1 78 78 VAL N N 78 114.372 114.372 117.168 -2.796 19538 6885 1 12 . 1 1 78 78 VAL HA H 78 5.110 5.110 5.122 -0.012 19538 6886 1 12 . 1 1 78 78 VAL CA C 78 59.653 59.653 59.250 0.403 19538 6887 1 12 . 1 1 78 78 VAL CB C 78 35.073 35.073 35.665 -0.592 19538 6888 1 12 . 1 1 78 78 VAL H H 78 7.860 7.860 9.330 -1.470 19538 6889 1 12 . 1 1 79 79 GLU N N 79 126.076 126.076 123.573 2.503 19538 6890 1 12 . 1 1 79 79 GLU HA H 79 5.400 5.400 5.017 0.383 19538 6891 1 12 . 1 1 79 79 GLU CA C 79 54.316 54.316 55.289 -0.973 19538 6892 1 12 . 1 1 79 79 GLU CB C 79 34.060 34.060 32.069 1.991 19538 6893 1 12 . 1 1 79 79 GLU H H 79 9.213 9.213 9.081 0.132 19538 6894 1 12 . 1 1 80 80 SER N N 80 124.627 124.627 123.510 1.117 19538 6895 1 12 . 1 1 80 80 SER HA H 80 4.892 4.892 4.555 0.337 19538 6896 1 12 . 1 1 80 80 SER CA C 80 54.930 54.930 57.715 -2.785 19538 6897 1 12 . 1 1 80 80 SER CB C 80 67.503 67.503 63.693 3.810 19538 6898 1 12 . 1 1 80 80 SER H H 80 9.464 9.464 9.376 0.088 19538 6899 1 12 . 1 1 81 81 LYS N N 81 119.240 119.240 119.634 -0.394 19538 6900 1 12 . 1 1 81 81 LYS HA H 81 4.000 4.000 4.151 -0.151 19538 6901 1 12 . 1 1 81 81 LYS CA C 81 59.099 59.099 58.683 0.416 19538 6902 1 12 . 1 1 81 81 LYS CB C 81 31.721 31.721 32.383 -0.662 19538 6903 1 12 . 1 1 81 81 LYS H H 81 10.052 10.052 8.372 1.680 19538 6904 1 12 . 1 1 82 82 LYS N N 82 114.688 114.688 113.375 1.313 19538 6905 1 12 . 1 1 82 82 LYS HA H 82 4.365 4.365 4.511 -0.146 19538 6906 1 12 . 1 1 82 82 LYS CA C 82 56.211 56.211 55.022 1.189 19538 6907 1 12 . 1 1 82 82 LYS CB C 82 36.484 36.484 34.651 1.833 19538 6908 1 12 . 1 1 82 82 LYS H H 82 7.782 7.782 7.679 0.103 19538 6909 1 12 . 1 1 83 83 LYS N N 83 118.992 118.992 119.690 -0.698 19538 6910 1 12 . 1 1 83 83 LYS HA H 83 4.749 4.749 4.582 0.167 19538 6911 1 12 . 1 1 83 83 LYS CA C 83 53.590 53.590 54.498 -0.908 19538 6912 1 12 . 1 1 83 83 LYS CB C 83 39.218 39.218 35.830 3.388 19538 6913 1 12 . 1 1 83 83 LYS H H 83 7.962 7.962 7.888 0.074 19538 6914 1 12 . 1 1 84 84 ILE N N 84 118.513 118.513 120.999 -2.486 19538 6915 1 12 . 1 1 84 84 ILE HA H 84 4.556 4.556 4.920 -0.364 19538 6916 1 12 . 1 1 84 84 ILE CA C 84 60.643 60.643 60.376 0.267 19538 6917 1 12 . 1 1 84 84 ILE CB C 84 39.946 39.946 40.040 -0.094 19538 6918 1 12 . 1 1 84 84 ILE H H 84 7.927 7.927 8.706 -0.779 19538 6919 1 12 . 1 1 85 85 ALA N N 85 127.327 127.327 129.098 -1.771 19538 6920 1 12 . 1 1 85 85 ALA HA H 85 5.048 5.048 5.156 -0.108 19538 6921 1 12 . 1 1 85 85 ALA CA C 85 49.316 49.316 49.496 -0.180 19538 6922 1 12 . 1 1 85 85 ALA CB C 85 24.205 24.205 23.101 1.104 19538 6923 1 12 . 1 1 85 85 ALA H H 85 9.211 9.211 9.255 -0.044 19538 6924 1 12 . 1 1 86 86 LEU N N 86 122.978 122.978 122.819 0.159 19538 6925 1 12 . 1 1 86 86 LEU HA H 86 4.554 4.554 5.117 -0.563 19538 6926 1 12 . 1 1 86 86 LEU CA C 86 53.671 53.671 53.337 0.334 19538 6927 1 12 . 1 1 86 86 LEU CB C 86 44.396 44.396 45.266 -0.870 19538 6928 1 12 . 1 1 86 86 LEU H H 86 8.312 8.312 8.983 -0.671 19538 6929 1 12 . 1 1 87 87 VAL N N 87 127.511 127.511 126.446 1.065 19538 6930 1 12 . 1 1 87 87 VAL HA H 87 4.244 4.244 4.602 -0.358 19538 6931 1 12 . 1 1 87 87 VAL CA C 87 60.226 60.226 60.513 -0.287 19538 6932 1 12 . 1 1 87 87 VAL CB C 87 31.609 31.609 32.646 -1.037 19538 6933 1 12 . 1 1 87 87 VAL H H 87 9.017 9.017 9.190 -0.173 19538 6934 1 12 . 1 1 88 88 HIS N N 88 124.227 124.227 127.517 -3.290 19538 6935 1 12 . 1 1 88 88 HIS HA H 88 4.687 4.687 5.284 -0.597 19538 6936 1 12 . 1 1 88 88 HIS CA C 88 54.314 54.314 52.909 1.405 19538 6937 1 12 . 1 1 88 88 HIS CB C 88 33.245 33.245 32.455 0.791 19538 6938 1 12 . 1 1 88 88 HIS H H 88 8.104 8.104 8.816 -0.712 19538 6939 1 12 . 1 1 89 89 LEU N N 89 121.992 121.992 129.035 -7.043 19538 6940 1 12 . 1 1 89 89 LEU HA H 89 5.050 5.050 5.120 -0.070 19538 6941 1 12 . 1 1 89 89 LEU CA C 89 52.983 52.983 53.483 -0.500 19538 6942 1 12 . 1 1 89 89 LEU CB C 89 46.355 46.355 46.452 -0.097 19538 6943 1 12 . 1 1 89 89 LEU H H 89 8.600 8.600 9.652 -1.052 19538 6944 1 12 . 1 1 90 90 GLU N N 90 121.551 121.551 125.350 -3.799 19538 6945 1 12 . 1 1 90 90 GLU HA H 90 5.253 5.253 5.751 -0.498 19538 6946 1 12 . 1 1 90 90 GLU CA C 90 53.422 53.422 54.377 -0.955 19538 6947 1 12 . 1 1 90 90 GLU CB C 90 33.238 33.238 33.396 -0.158 19538 6948 1 12 . 1 1 90 90 GLU H H 90 8.816 8.816 9.411 -0.595 19538 6949 1 12 . 1 1 91 91 ALA N N 91 128.266 128.266 127.432 0.834 19538 6950 1 12 . 1 1 91 91 ALA HA H 91 5.385 5.385 5.454 -0.069 19538 6951 1 12 . 1 1 91 91 ALA CA C 91 49.164 49.164 49.892 -0.728 19538 6952 1 12 . 1 1 91 91 ALA CB C 91 23.227 23.227 23.145 0.082 19538 6953 1 12 . 1 1 91 91 ALA H H 91 9.287 9.287 8.865 0.422 19538 6954 1 12 . 1 1 92 92 LYS N N 92 121.573 121.573 120.497 1.076 19538 6955 1 12 . 1 1 92 92 LYS HA H 92 4.884 4.884 5.440 -0.556 19538 6956 1 12 . 1 1 92 92 LYS CA C 92 54.365 54.365 53.860 0.505 19538 6957 1 12 . 1 1 92 92 LYS CB C 92 36.427 36.427 35.567 0.860 19538 6958 1 12 . 1 1 92 92 LYS H H 92 9.160 9.160 8.814 0.346 19538 6959 1 12 . 1 1 93 93 GLU N N 93 127.022 127.022 124.330 2.692 19538 6960 1 12 . 1 1 93 93 GLU HA H 93 4.145 4.145 4.348 -0.203 19538 6961 1 12 . 1 1 93 93 GLU CA C 93 56.227 56.227 56.597 -0.370 19538 6962 1 12 . 1 1 93 93 GLU CB C 93 30.986 30.986 31.167 -0.181 19538 6963 1 12 . 1 1 93 93 GLU H H 93 8.525 8.525 9.164 -0.639 19538 6964 1 12 . 1 1 94 94 SER N N 94 120.676 120.676 119.009 1.667 19538 6965 1 12 . 1 1 94 94 SER HA H 94 4.416 4.416 4.225 0.191 19538 6966 1 12 . 1 1 94 94 SER CA C 94 57.241 57.241 61.718 -4.476 19538 6967 1 12 . 1 1 94 94 SER CB C 94 63.634 63.634 63.407 0.227 19538 6968 1 12 . 1 1 94 94 SER H H 94 8.877 8.877 8.941 -0.064 19538 6969 1 12 . 1 1 95 95 LYS HA H 95 4.212 4.212 4.530 -0.318 19538 6970 1 12 . 1 1 95 95 LYS CA C 95 56.036 56.036 57.646 -1.610 19538 6971 1 12 . 1 1 95 95 LYS CB C 95 33.113 33.113 32.506 0.607 19538 6972 1 12 . 1 1 96 96 GLN N N 96 118.641 118.641 117.928 0.713 19538 6973 1 12 . 1 1 96 96 GLN HA H 96 4.140 4.140 4.312 -0.172 19538 6974 1 12 . 1 1 96 96 GLN CA C 96 56.338 56.338 55.631 0.707 19538 6975 1 12 . 1 1 96 96 GLN CB C 96 28.958 28.958 29.084 -0.126 19538 6976 1 12 . 1 1 96 96 GLN H H 96 8.335 8.335 8.113 0.222 19538 6977 1 12 . 1 1 97 97 ASN N N 97 116.545 116.545 118.714 -2.169 19538 6978 1 12 . 1 1 97 97 ASN HA H 97 4.511 4.511 4.589 -0.078 19538 6979 1 12 . 1 1 97 97 ASN CA C 97 53.163 53.163 53.217 -0.054 19538 6980 1 12 . 1 1 97 97 ASN CB C 97 38.370 38.370 38.891 -0.521 19538 6981 1 12 . 1 1 97 97 ASN H H 97 8.199 8.199 7.828 0.371 19538 6982 1 12 . 1 1 98 98 TYR N N 98 119.134 119.134 123.251 -4.117 19538 6983 1 12 . 1 1 98 98 TYR HA H 98 4.482 4.482 4.267 0.215 19538 6984 1 12 . 1 1 98 98 TYR CA C 98 57.458 57.458 60.041 -2.583 19538 6985 1 12 . 1 1 98 98 TYR CB C 98 38.539 38.539 38.753 -0.214 19538 6986 1 12 . 1 1 98 98 TYR H H 98 7.918 7.918 8.684 -0.766 19538 6987 1 12 . 1 1 99 99 GLN N N 99 119.975 119.975 118.623 1.352 19538 6988 1 12 . 1 1 99 99 GLN HA H 99 4.440 4.440 4.590 -0.150 19538 6989 1 12 . 1 1 99 99 GLN CA C 99 53.092 53.092 53.576 -0.484 19538 6990 1 12 . 1 1 99 99 GLN CB C 99 27.891 27.891 29.130 -1.239 19538 6991 1 12 . 1 1 99 99 GLN H H 99 7.992 7.992 7.959 0.033 19538 6992 1 12 . 1 1 100 100 PRO HA H 100 4.294 4.294 4.312 -0.018 19538 6993 1 12 . 1 1 100 100 PRO CA C 100 62.415 62.415 61.898 0.517 19538 6994 1 12 . 1 1 100 100 PRO CB C 100 32.538 32.538 32.170 0.368 19538 6995 1 12 . 1 1 101 101 ASP N N 101 120.964 120.964 120.946 0.018 19538 6996 1 12 . 1 1 101 101 ASP HA H 101 4.654 4.654 4.461 0.193 19538 6997 1 12 . 1 1 101 101 ASP CA C 101 52.845 52.845 53.221 -0.376 19538 6998 1 12 . 1 1 101 101 ASP CB C 101 42.316 42.316 41.765 0.551 19538 6999 1 12 . 1 1 101 101 ASP H H 101 8.225 8.225 8.787 -0.562 19538 7000 1 12 . 1 1 102 102 PHE N N 102 122.913 122.913 125.105 -2.192 19538 7001 1 12 . 1 1 102 102 PHE HA H 102 4.642 4.642 4.461 0.181 19538 7002 1 12 . 1 1 102 102 PHE CA C 102 57.341 57.341 58.729 -1.388 19538 7003 1 12 . 1 1 102 102 PHE CB C 102 38.576 38.576 37.683 0.893 19538 7004 1 12 . 1 1 102 102 PHE H H 102 9.014 9.014 8.466 0.548 19538 7005 1 12 . 1 1 103 103 ILE N N 103 117.131 117.131 122.377 -5.246 19538 7006 1 12 . 1 1 103 103 ILE HA H 103 4.464 4.464 3.803 0.661 19538 7007 1 12 . 1 1 103 103 ILE CA C 103 60.346 60.346 64.010 -3.664 19538 7008 1 12 . 1 1 103 103 ILE CB C 103 39.243 39.243 38.597 0.646 19538 7009 1 12 . 1 1 103 103 ILE H H 103 8.765 8.765 8.364 0.401 19538 7010 1 12 . 1 1 104 104 ASN N N 104 117.264 117.264 115.880 1.384 19538 7011 1 12 . 1 1 104 104 ASN HA H 104 4.913 4.913 5.205 -0.292 19538 7012 1 12 . 1 1 104 104 ASN CA C 104 52.710 52.710 52.449 0.261 19538 7013 1 12 . 1 1 104 104 ASN CB C 104 41.361 41.361 42.541 -1.180 19538 7014 1 12 . 1 1 104 104 ASN H H 104 7.441 7.441 8.218 -0.777 19538 7015 1 12 . 1 1 105 105 MET N N 105 125.685 125.685 121.418 4.267 19538 7016 1 12 . 1 1 105 105 MET HA H 105 5.484 5.484 5.373 0.111 19538 7017 1 12 . 1 1 105 105 MET CA C 105 56.071 56.071 55.210 0.861 19538 7018 1 12 . 1 1 105 105 MET CB C 105 34.514 34.514 35.114 -0.600 19538 7019 1 12 . 1 1 105 105 MET H H 105 9.244 9.244 9.059 0.185 19538 7020 1 12 . 1 1 106 106 TYR N N 106 125.856 125.856 120.628 5.228 19538 7021 1 12 . 1 1 106 106 TYR HA H 106 5.438 5.438 5.419 0.019 19538 7022 1 12 . 1 1 106 106 TYR CA C 106 54.552 54.552 55.284 -0.732 19538 7023 1 12 . 1 1 106 106 TYR CB C 106 40.104 40.104 41.089 -0.985 19538 7024 1 12 . 1 1 106 106 TYR H H 106 8.893 8.893 8.925 -0.032 19538 7025 1 12 . 1 1 107 107 VAL N N 107 117.033 117.033 120.255 -3.222 19538 7026 1 12 . 1 1 107 107 VAL HA H 107 4.957 4.957 4.649 0.308 19538 7027 1 12 . 1 1 107 107 VAL CA C 107 60.008 60.008 61.294 -1.286 19538 7028 1 12 . 1 1 107 107 VAL CB C 107 35.319 35.319 34.108 1.212 19538 7029 1 12 . 1 1 107 107 VAL H H 107 9.041 9.041 9.294 -0.253 19538 7030 1 12 . 1 1 108 108 ASP N N 108 129.995 129.995 129.913 0.082 19538 7031 1 12 . 1 1 108 108 ASP HA H 108 5.240 5.240 4.965 0.275 19538 7032 1 12 . 1 1 108 108 ASP CA C 108 52.975 52.975 52.620 0.355 19538 7033 1 12 . 1 1 108 108 ASP CB C 108 42.245 42.245 42.138 0.107 19538 7034 1 12 . 1 1 108 108 ASP H H 108 9.382 9.382 9.480 -0.098 19538 7035 1 12 . 1 1 109 109 VAL N N 109 129.641 129.641 126.668 2.973 19538 7036 1 12 . 1 1 109 109 VAL HA H 109 4.464 4.464 4.434 0.030 19538 7037 1 12 . 1 1 109 109 VAL CA C 109 58.694 58.694 58.615 0.079 19538 7038 1 12 . 1 1 109 109 VAL CB C 109 33.061 33.061 34.315 -1.254 19538 7039 1 12 . 1 1 109 109 VAL H H 109 9.181 9.181 8.076 1.105 19538 7040 1 12 . 1 1 110 110 PRO HA H 110 4.288 4.288 4.380 -0.092 19538 7041 1 12 . 1 1 110 110 PRO CA C 110 64.107 64.107 63.815 0.292 19538 7042 1 12 . 1 1 110 110 PRO CB C 110 31.557 31.557 32.354 -0.797 19538 7043 1 12 . 1 1 111 111 GLY N N 111 112.873 112.873 111.073 1.800 19538 7044 1 12 . 1 1 111 111 GLY CA C 111 44.872 44.872 45.356 -0.484 19538 7045 1 12 . 1 1 111 111 GLY H H 111 8.839 8.839 8.854 -0.015 19538 7046 1 12 . 1 1 112 112 GLU N N 112 118.157 118.157 120.984 -2.827 19538 7047 1 12 . 1 1 112 112 GLU HA H 112 4.858 4.858 4.587 0.271 19538 7048 1 12 . 1 1 112 112 GLU CA C 112 52.732 52.732 54.907 -2.175 19538 7049 1 12 . 1 1 112 112 GLU CB C 112 31.513 31.513 31.331 0.182 19538 7050 1 12 . 1 1 112 112 GLU H H 112 8.136 8.136 7.569 0.567 19538 7051 1 12 . 1 1 113 113 LYS N N 113 121.944 121.944 121.583 0.361 19538 7052 1 12 . 1 1 113 113 LYS HA H 113 4.208 4.208 4.360 -0.152 19538 7053 1 12 . 1 1 113 113 LYS CA C 113 55.810 55.810 55.919 -0.109 19538 7054 1 12 . 1 1 113 113 LYS CB C 113 32.157 32.157 33.178 -1.021 19538 7055 1 12 . 1 1 113 113 LYS H H 113 8.847 8.847 8.498 0.349 19538 7056 1 12 . 1 1 114 114 ARG N N 114 126.520 126.520 121.594 4.926 19538 7057 1 12 . 1 1 114 114 ARG HA H 114 4.064 4.064 4.412 -0.348 19538 7058 1 12 . 1 1 114 114 ARG CA C 114 57.914 57.914 56.131 1.783 19538 7059 1 12 . 1 1 114 114 ARG CB C 114 30.627 30.627 30.545 0.082 19538 7060 1 12 . 1 1 114 114 ARG H H 114 8.539 8.539 8.363 0.176 19538 7061 1 12 . 1 1 115 115 TYR N N 115 128.478 128.478 126.214 2.264 19538 7062 1 12 . 1 1 115 115 TYR HA H 115 4.671 4.671 4.762 -0.091 19538 7063 1 12 . 1 1 115 115 TYR CA C 115 56.519 56.519 57.109 -0.590 19538 7064 1 12 . 1 1 115 115 TYR CB C 115 40.193 40.193 40.842 -0.649 19538 7065 1 12 . 1 1 115 115 TYR H H 115 8.333 8.333 9.148 -0.815 19538 7066 1 12 . 1 1 116 116 TYR N N 116 127.101 127.101 128.117 -1.016 19538 7067 1 12 . 1 1 116 116 TYR HA H 116 4.553 4.553 4.603 -0.050 19538 7068 1 12 . 1 1 116 116 TYR CA C 116 58.502 58.502 57.885 0.617 19538 7069 1 12 . 1 1 116 116 TYR CB C 116 38.842 38.842 37.079 1.763 19538 7070 1 12 . 1 1 116 116 TYR H H 116 8.740 8.740 8.713 0.027 19538 7071 1 12 . 1 1 117 117 LEU N N 117 125.574 125.574 124.120 1.454 19538 7072 1 12 . 1 1 117 117 LEU HA H 117 4.394 4.394 4.190 0.204 19538 7073 1 12 . 1 1 117 117 LEU CA C 117 57.384 57.384 56.538 0.846 19538 7074 1 12 . 1 1 117 117 LEU CB C 117 43.272 43.272 42.859 0.413 19538 7075 1 12 . 1 1 117 117 LEU H H 117 8.427 8.427 8.106 0.321 19538 7076 1 12 . 1 1 118 118 ILE N N 118 118.478 118.478 118.536 -0.058 19538 7077 1 12 . 1 1 118 118 ILE HA H 118 4.199 4.199 4.220 -0.021 19538 7078 1 12 . 1 1 118 118 ILE CA C 118 60.074 60.074 59.979 0.095 19538 7079 1 12 . 1 1 118 118 ILE CB C 118 40.895 40.895 39.853 1.042 19538 7080 1 12 . 1 1 118 118 ILE H H 118 7.983 7.983 8.589 -0.606 19538 7081 1 12 . 1 1 119 119 LYS N N 119 127.589 127.589 128.183 -0.594 19538 7082 1 12 . 1 1 119 119 LYS HA H 119 4.778 4.778 4.661 0.117 19538 7083 1 12 . 1 1 119 119 LYS CA C 119 53.232 53.232 52.837 0.395 19538 7084 1 12 . 1 1 119 119 LYS CB C 119 32.581 32.581 31.274 1.307 19538 7085 1 12 . 1 1 119 119 LYS H H 119 8.550 8.550 8.574 -0.024 19538 7086 1 12 . 1 1 120 120 PRO HA H 120 4.534 4.534 4.666 -0.132 19538 7087 1 12 . 1 1 120 120 PRO CA C 120 62.395 62.395 61.925 0.470 19538 7088 1 12 . 1 1 120 120 PRO CB C 120 32.059 32.059 32.591 -0.532 19538 7089 1 12 . 1 1 121 121 LYS N N 121 122.191 122.191 120.180 2.011 19538 7090 1 12 . 1 1 121 121 LYS HA H 121 4.136 4.136 4.056 0.080 19538 7091 1 12 . 1 1 121 121 LYS CA C 121 55.840 55.840 55.985 -0.145 19538 7092 1 12 . 1 1 121 121 LYS CB C 121 33.162 33.162 29.302 3.861 19538 7093 1 12 . 1 1 121 121 LYS H H 121 8.406 8.406 8.564 -0.158 19538 7094 1 12 . 1 1 122 122 LEU N N 122 122.972 122.972 119.424 3.548 19538 7095 1 12 . 1 1 122 122 LEU HA H 122 4.219 4.219 4.077 0.142 19538 7096 1 12 . 1 1 122 122 LEU CA C 122 54.494 54.494 57.053 -2.559 19538 7097 1 12 . 1 1 122 122 LEU CB C 122 41.990 41.990 42.270 -0.280 19538 7098 1 12 . 1 1 122 122 LEU H H 122 8.158 8.158 8.433 -0.275 19538 7099 1 12 . 1 1 123 123 HIS N N 123 121.608 121.608 110.883 10.725 19538 7100 1 12 . 1 1 123 123 HIS HA H 123 4.776 4.776 5.410 -0.634 19538 7101 1 12 . 1 1 123 123 HIS CA C 123 53.651 53.651 51.789 1.862 19538 7102 1 12 . 1 1 123 123 HIS CB C 123 30.145 30.145 28.846 1.299 19538 7103 1 12 . 1 1 123 123 HIS H H 123 8.172 8.172 7.262 0.910 19538 7104 1 12 . 1 1 124 124 PRO HA H 124 4.085 4.085 4.308 -0.223 19538 7105 1 12 . 1 1 124 124 PRO CA C 124 62.119 62.119 63.321 -1.202 19538 7106 1 12 . 1 1 124 124 PRO CB C 124 33.900 33.900 30.815 3.085 19538 7107 1 12 . 1 1 125 125 VAL N N 125 120.758 120.758 120.162 0.596 19538 7108 1 12 . 1 1 125 125 VAL HA H 125 4.085 4.085 3.593 0.492 19538 7109 1 12 . 1 1 125 125 VAL CA C 125 61.791 61.791 65.010 -3.219 19538 7110 1 12 . 1 1 125 125 VAL CB C 125 32.635 32.635 29.940 2.695 19538 7111 1 12 . 1 1 125 125 VAL H H 125 8.361 8.361 8.699 -0.338 19538 7112 1 12 . 1 1 126 126 SER N N 126 119.450 119.450 116.680 2.770 19538 7113 1 12 . 1 1 126 126 SER HA H 126 4.417 4.417 4.833 -0.416 19538 7114 1 12 . 1 1 126 126 SER CA C 126 57.522 57.522 58.252 -0.730 19538 7115 1 12 . 1 1 126 126 SER CB C 126 63.634 63.634 65.308 -1.674 19538 7116 1 12 . 1 1 126 126 SER H H 126 8.323 8.323 8.596 -0.273 19538 7117 1 13 . 1 1 2 2 ALA N N 2 122.815 122.815 126.291 -3.476 19538 7118 1 13 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.514 -0.221 19538 7119 1 13 . 1 1 2 2 ALA CA C 2 52.085 52.085 52.425 -0.340 19538 7120 1 13 . 1 1 2 2 ALA CB C 2 19.067 19.067 17.905 1.162 19538 7121 1 13 . 1 1 2 2 ALA H H 2 8.102 8.102 8.374 -0.272 19538 7122 1 13 . 1 1 3 3 MET N N 3 119.897 119.897 120.362 -0.465 19538 7123 1 13 . 1 1 3 3 MET HA H 3 4.401 4.401 4.425 -0.024 19538 7124 1 13 . 1 1 3 3 MET CA C 3 55.339 55.339 52.956 2.383 19538 7125 1 13 . 1 1 3 3 MET CB C 3 32.938 32.938 29.621 3.317 19538 7126 1 13 . 1 1 3 3 MET H H 3 8.501 8.501 8.335 0.166 19538 7127 1 13 . 1 1 4 4 GLY N N 4 110.174 110.174 108.831 1.343 19538 7128 1 13 . 1 1 4 4 GLY CA C 4 44.706 44.706 45.364 -0.658 19538 7129 1 13 . 1 1 4 4 GLY H H 4 8.498 8.498 8.132 0.366 19538 7130 1 13 . 1 1 5 5 SER HA H 5 4.368 4.368 4.183 0.185 19538 7131 1 13 . 1 1 5 5 SER CA C 5 58.467 58.467 58.623 -0.156 19538 7132 1 13 . 1 1 5 5 SER CB C 5 63.530 63.530 61.214 2.316 19538 7133 1 13 . 1 1 6 6 GLY CA C 6 45.983 45.983 47.635 -1.652 19538 7134 1 13 . 1 1 7 7 ASP N N 7 122.649 122.649 119.870 2.779 19538 7135 1 13 . 1 1 7 7 ASP HA H 7 4.375 4.375 4.447 -0.072 19538 7136 1 13 . 1 1 7 7 ASP CA C 7 56.523 56.523 57.530 -1.007 19538 7137 1 13 . 1 1 7 7 ASP CB C 7 40.235 40.235 39.353 0.882 19538 7138 1 13 . 1 1 7 7 ASP H H 7 8.457 8.457 8.831 -0.374 19538 7139 1 13 . 1 1 8 8 THR N N 8 116.751 116.751 116.234 0.517 19538 7140 1 13 . 1 1 8 8 THR HA H 8 3.853 3.853 3.898 -0.045 19538 7141 1 13 . 1 1 8 8 THR CA C 8 66.104 66.104 66.782 -0.678 19538 7142 1 13 . 1 1 8 8 THR CB C 8 68.047 68.047 68.673 -0.626 19538 7143 1 13 . 1 1 8 8 THR H H 8 8.128 8.128 7.985 0.143 19538 7144 1 13 . 1 1 9 9 GLN N N 9 120.186 120.186 121.182 -0.996 19538 7145 1 13 . 1 1 9 9 GLN HA H 9 4.038 4.038 4.135 -0.097 19538 7146 1 13 . 1 1 9 9 GLN CA C 9 58.699 58.699 59.350 -0.651 19538 7147 1 13 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.787 -0.687 19538 7148 1 13 . 1 1 9 9 GLN H H 9 7.831 7.831 8.743 -0.912 19538 7149 1 13 . 1 1 10 10 LEU N N 10 120.735 120.735 120.410 0.325 19538 7150 1 13 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.098 -0.181 19538 7151 1 13 . 1 1 10 10 LEU CA C 10 58.126 58.126 58.187 -0.061 19538 7152 1 13 . 1 1 10 10 LEU CB C 10 41.935 41.935 41.687 0.249 19538 7153 1 13 . 1 1 10 10 LEU H H 10 7.670 7.670 9.157 -1.487 19538 7154 1 13 . 1 1 11 11 PHE N N 11 117.802 117.802 120.349 -2.547 19538 7155 1 13 . 1 1 11 11 PHE HA H 11 3.821 3.821 3.651 0.170 19538 7156 1 13 . 1 1 11 11 PHE CA C 11 60.224 60.224 62.102 -1.878 19538 7157 1 13 . 1 1 11 11 PHE CB C 11 38.798 38.798 38.656 0.142 19538 7158 1 13 . 1 1 11 11 PHE H H 11 7.939 7.939 9.136 -1.197 19538 7159 1 13 . 1 1 12 12 ASN N N 12 117.152 117.152 117.519 -0.367 19538 7160 1 13 . 1 1 12 12 ASN HA H 12 3.868 3.868 4.194 -0.326 19538 7161 1 13 . 1 1 12 12 ASN CA C 12 55.410 55.410 56.595 -1.185 19538 7162 1 13 . 1 1 12 12 ASN CB C 12 37.188 37.188 38.019 -0.831 19538 7163 1 13 . 1 1 12 12 ASN H H 12 8.562 8.562 7.973 0.589 19538 7164 1 13 . 1 1 13 13 ARG N N 13 119.825 119.825 120.656 -0.831 19538 7165 1 13 . 1 1 13 13 ARG HA H 13 3.914 3.914 4.084 -0.170 19538 7166 1 13 . 1 1 13 13 ARG CA C 13 58.623 58.623 59.331 -0.708 19538 7167 1 13 . 1 1 13 13 ARG CB C 13 31.719 31.719 30.343 1.376 19538 7168 1 13 . 1 1 13 13 ARG H H 13 8.006 8.006 8.224 -0.218 19538 7169 1 13 . 1 1 14 14 ALA N N 14 122.749 122.749 123.654 -0.905 19538 7170 1 13 . 1 1 14 14 ALA HA H 14 3.938 3.938 3.853 0.085 19538 7171 1 13 . 1 1 14 14 ALA CA C 14 54.976 54.976 55.079 -0.103 19538 7172 1 13 . 1 1 14 14 ALA CB C 14 19.446 19.446 18.442 1.004 19538 7173 1 13 . 1 1 14 14 ALA H H 14 8.163 8.163 8.862 -0.699 19538 7174 1 13 . 1 1 15 15 VAL N N 15 118.460 118.460 118.862 -0.402 19538 7175 1 13 . 1 1 15 15 VAL HA H 15 3.219 3.219 3.606 -0.387 19538 7176 1 13 . 1 1 15 15 VAL CA C 15 66.611 66.611 65.144 1.467 19538 7177 1 13 . 1 1 15 15 VAL CB C 15 30.889 30.889 30.682 0.207 19538 7178 1 13 . 1 1 15 15 VAL H H 15 8.718 8.718 8.389 0.329 19538 7179 1 13 . 1 1 16 16 SER N N 16 113.102 113.102 116.441 -3.339 19538 7180 1 13 . 1 1 16 16 SER HA H 16 4.144 4.144 4.111 0.033 19538 7181 1 13 . 1 1 16 16 SER CA C 16 60.888 60.888 61.897 -1.009 19538 7182 1 13 . 1 1 16 16 SER CB C 16 62.503 62.503 62.566 -0.062 19538 7183 1 13 . 1 1 16 16 SER H H 16 7.243 7.243 7.659 -0.416 19538 7184 1 13 . 1 1 17 17 MET N N 17 117.447 117.447 120.725 -3.278 19538 7185 1 13 . 1 1 17 17 MET HA H 17 3.875 3.875 4.130 -0.255 19538 7186 1 13 . 1 1 17 17 MET CA C 17 58.575 58.575 58.605 -0.030 19538 7187 1 13 . 1 1 17 17 MET CB C 17 33.489 33.489 32.888 0.601 19538 7188 1 13 . 1 1 17 17 MET H H 17 7.232 7.232 7.402 -0.170 19538 7189 1 13 . 1 1 18 18 VAL N N 18 117.842 117.842 114.711 3.131 19538 7190 1 13 . 1 1 18 18 VAL HA H 18 3.357 3.357 3.842 -0.485 19538 7191 1 13 . 1 1 18 18 VAL CA C 18 66.065 66.065 65.550 0.515 19538 7192 1 13 . 1 1 18 18 VAL CB C 18 31.686 31.686 31.384 0.302 19538 7193 1 13 . 1 1 18 18 VAL H H 18 7.678 7.678 8.033 -0.355 19538 7194 1 13 . 1 1 19 19 GLU N N 19 113.150 113.150 119.970 -6.820 19538 7195 1 13 . 1 1 19 19 GLU HA H 19 3.618 3.618 4.008 -0.390 19538 7196 1 13 . 1 1 19 19 GLU CA C 19 58.198 58.198 59.391 -1.193 19538 7197 1 13 . 1 1 19 19 GLU CB C 19 29.786 29.786 29.618 0.168 19538 7198 1 13 . 1 1 19 19 GLU H H 19 8.378 8.378 8.407 -0.029 19538 7199 1 13 . 1 1 20 20 LYS N N 20 114.076 114.076 113.537 0.539 19538 7200 1 13 . 1 1 20 20 LYS HA H 20 4.243 4.243 4.410 -0.167 19538 7201 1 13 . 1 1 20 20 LYS CA C 20 55.725 55.725 54.562 1.163 19538 7202 1 13 . 1 1 20 20 LYS CB C 20 33.032 33.032 32.373 0.659 19538 7203 1 13 . 1 1 20 20 LYS H H 20 7.072 7.072 7.451 -0.379 19538 7204 1 13 . 1 1 21 21 ASN N N 21 121.025 121.025 121.110 -0.085 19538 7205 1 13 . 1 1 21 21 ASN HA H 21 4.555 4.555 4.560 -0.005 19538 7206 1 13 . 1 1 21 21 ASN CA C 21 53.766 53.766 52.762 1.004 19538 7207 1 13 . 1 1 21 21 ASN CB C 21 39.835 39.835 38.958 0.877 19538 7208 1 13 . 1 1 21 21 ASN H H 21 7.230 7.230 7.416 -0.186 19538 7209 1 13 . 1 1 22 22 LYS N N 22 128.112 128.112 127.525 0.587 19538 7210 1 13 . 1 1 22 22 LYS HA H 22 3.698 3.698 3.859 -0.161 19538 7211 1 13 . 1 1 22 22 LYS CA C 22 59.519 59.519 60.017 -0.499 19538 7212 1 13 . 1 1 22 22 LYS CB C 22 32.140 32.140 31.317 0.823 19538 7213 1 13 . 1 1 22 22 LYS H H 22 8.846 8.846 8.722 0.124 19538 7214 1 13 . 1 1 23 23 ASP N N 23 120.250 120.250 121.058 -0.808 19538 7215 1 13 . 1 1 23 23 ASP HA H 23 4.297 4.297 4.379 -0.082 19538 7216 1 13 . 1 1 23 23 ASP CA C 23 56.787 56.787 56.655 0.132 19538 7217 1 13 . 1 1 23 23 ASP CB C 23 39.444 39.444 40.262 -0.818 19538 7218 1 13 . 1 1 23 23 ASP H H 23 7.731 7.731 7.921 -0.190 19538 7219 1 13 . 1 1 24 24 ILE N N 24 121.988 121.988 121.239 0.749 19538 7220 1 13 . 1 1 24 24 ILE HA H 24 3.219 3.219 3.279 -0.060 19538 7221 1 13 . 1 1 24 24 ILE CA C 24 63.375 63.375 65.522 -2.147 19538 7222 1 13 . 1 1 24 24 ILE CB C 24 35.424 35.424 37.610 -2.186 19538 7223 1 13 . 1 1 24 24 ILE H H 24 8.431 8.431 9.123 -0.692 19538 7224 1 13 . 1 1 25 25 ARG N N 25 118.181 118.181 120.147 -1.966 19538 7225 1 13 . 1 1 25 25 ARG HA H 25 3.810 3.810 3.852 -0.042 19538 7226 1 13 . 1 1 25 25 ARG CA C 25 60.546 60.546 60.567 -0.021 19538 7227 1 13 . 1 1 25 25 ARG CB C 25 30.205 30.205 29.921 0.284 19538 7228 1 13 . 1 1 25 25 ARG H H 25 8.206 8.206 8.924 -0.718 19538 7229 1 13 . 1 1 26 26 SER N N 26 112.549 112.549 115.858 -3.309 19538 7230 1 13 . 1 1 26 26 SER HA H 26 4.373 4.373 4.158 0.215 19538 7231 1 13 . 1 1 26 26 SER CA C 26 61.040 61.040 62.231 -1.191 19538 7232 1 13 . 1 1 26 26 SER CB C 26 62.096 62.096 62.873 -0.777 19538 7233 1 13 . 1 1 26 26 SER H H 26 7.518 7.518 8.064 -0.546 19538 7234 1 13 . 1 1 27 27 LEU N N 27 125.275 125.275 121.781 3.494 19538 7235 1 13 . 1 1 27 27 LEU HA H 27 4.013 4.013 4.189 -0.176 19538 7236 1 13 . 1 1 27 27 LEU CA C 27 57.652 57.652 57.565 0.087 19538 7237 1 13 . 1 1 27 27 LEU CB C 27 42.548 42.548 42.032 0.516 19538 7238 1 13 . 1 1 27 27 LEU H H 27 8.050 8.050 7.989 0.061 19538 7239 1 13 . 1 1 28 28 LEU N N 28 114.725 114.725 114.174 0.551 19538 7240 1 13 . 1 1 28 28 LEU HA H 28 3.863 3.863 4.222 -0.359 19538 7241 1 13 . 1 1 28 28 LEU CA C 28 54.299 54.299 54.819 -0.520 19538 7242 1 13 . 1 1 28 28 LEU CB C 28 42.874 42.874 41.879 0.995 19538 7243 1 13 . 1 1 28 28 LEU H H 28 8.010 8.010 8.574 -0.564 19538 7244 1 13 . 1 1 29 29 GLN N N 29 116.444 116.444 113.999 2.445 19538 7245 1 13 . 1 1 29 29 GLN HA H 29 3.854 3.854 3.974 -0.120 19538 7246 1 13 . 1 1 29 29 GLN CA C 29 55.652 55.652 56.413 -0.761 19538 7247 1 13 . 1 1 29 29 GLN CB C 29 25.300 25.300 25.548 -0.248 19538 7248 1 13 . 1 1 29 29 GLN H H 29 7.972 7.972 7.523 0.449 19538 7249 1 13 . 1 1 30 30 CYS N N 30 116.363 116.363 121.142 -4.779 19538 7250 1 13 . 1 1 30 30 CYS HA H 30 4.133 4.133 4.143 -0.010 19538 7251 1 13 . 1 1 30 30 CYS CA C 30 61.559 61.559 60.163 1.395 19538 7252 1 13 . 1 1 30 30 CYS CB C 30 27.701 27.701 25.622 2.079 19538 7253 1 13 . 1 1 30 30 CYS H H 30 7.847 7.847 9.154 -1.307 19538 7254 1 13 . 1 1 31 31 ASP N N 31 125.091 125.091 126.174 -1.083 19538 7255 1 13 . 1 1 31 31 ASP HA H 31 4.598 4.598 4.654 -0.056 19538 7256 1 13 . 1 1 31 31 ASP CA C 31 52.428 52.428 54.472 -2.044 19538 7257 1 13 . 1 1 31 31 ASP CB C 31 39.156 39.156 41.557 -2.401 19538 7258 1 13 . 1 1 31 31 ASP H H 31 9.918 9.918 8.752 1.166 19538 7259 1 13 . 1 1 32 32 ASP N N 32 124.593 124.593 123.751 0.842 19538 7260 1 13 . 1 1 32 32 ASP HA H 32 5.131 5.131 4.723 0.408 19538 7261 1 13 . 1 1 32 32 ASP CA C 32 52.190 52.190 53.562 -1.372 19538 7262 1 13 . 1 1 32 32 ASP CB C 32 41.542 41.542 41.025 0.517 19538 7263 1 13 . 1 1 32 32 ASP H H 32 7.532 7.532 8.252 -0.720 19538 7264 1 13 . 1 1 33 33 GLY N N 33 109.888 109.888 113.880 -3.992 19538 7265 1 13 . 1 1 33 33 GLY CA C 33 44.840 44.840 45.341 -0.501 19538 7266 1 13 . 1 1 33 33 GLY H H 33 7.912 7.912 9.176 -1.264 19538 7267 1 13 . 1 1 34 34 ILE HA H 34 3.978 3.978 3.997 -0.019 19538 7268 1 13 . 1 1 34 34 ILE CA C 34 63.210 63.210 63.432 -0.222 19538 7269 1 13 . 1 1 34 34 ILE CB C 34 38.027 38.027 38.611 -0.584 19538 7270 1 13 . 1 1 35 35 THR N N 35 109.823 109.823 113.102 -3.279 19538 7271 1 13 . 1 1 35 35 THR HA H 35 4.291 4.291 4.444 -0.153 19538 7272 1 13 . 1 1 35 35 THR CA C 35 61.511 61.511 60.657 0.854 19538 7273 1 13 . 1 1 35 35 THR CB C 35 68.374 68.374 67.949 0.425 19538 7274 1 13 . 1 1 35 35 THR H H 35 7.995 7.995 8.015 -0.020 19538 7275 1 13 . 1 1 36 36 GLY N N 36 109.916 109.916 109.782 0.134 19538 7276 1 13 . 1 1 36 36 GLY CA C 36 44.282 44.282 44.763 -0.481 19538 7277 1 13 . 1 1 36 36 GLY H H 36 7.564 7.564 7.335 0.229 19538 7278 1 13 . 1 1 37 37 LYS N N 37 119.833 119.833 122.432 -2.599 19538 7279 1 13 . 1 1 37 37 LYS HA H 37 4.442 4.442 4.617 -0.175 19538 7280 1 13 . 1 1 37 37 LYS CA C 37 54.520 54.520 55.361 -0.841 19538 7281 1 13 . 1 1 37 37 LYS CB C 37 33.208 33.208 33.343 -0.135 19538 7282 1 13 . 1 1 37 37 LYS H H 37 8.236 8.236 8.414 -0.178 19538 7283 1 13 . 1 1 38 38 GLU N N 38 125.697 125.697 123.492 2.205 19538 7284 1 13 . 1 1 38 38 GLU HA H 38 3.907 3.907 4.411 -0.504 19538 7285 1 13 . 1 1 38 38 GLU CA C 38 56.731 56.731 55.412 1.319 19538 7286 1 13 . 1 1 38 38 GLU CB C 38 29.779 29.779 31.495 -1.716 19538 7287 1 13 . 1 1 38 38 GLU H H 38 8.175 8.175 8.582 -0.407 19538 7288 1 13 . 1 1 39 39 ARG N N 39 128.738 128.738 122.091 6.647 19538 7289 1 13 . 1 1 39 39 ARG HA H 39 4.260 4.260 4.472 -0.212 19538 7290 1 13 . 1 1 39 39 ARG CA C 39 55.343 55.343 55.563 -0.220 19538 7291 1 13 . 1 1 39 39 ARG CB C 39 29.529 29.529 30.647 -1.118 19538 7292 1 13 . 1 1 39 39 ARG H H 39 8.920 8.920 8.479 0.441 19538 7293 1 13 . 1 1 40 40 LEU N N 40 127.659 127.659 124.452 3.207 19538 7294 1 13 . 1 1 40 40 LEU HA H 40 4.488 4.488 4.751 -0.263 19538 7295 1 13 . 1 1 40 40 LEU CA C 40 53.848 53.848 54.152 -0.304 19538 7296 1 13 . 1 1 40 40 LEU CB C 40 42.333 42.333 43.299 -0.966 19538 7297 1 13 . 1 1 40 40 LEU H H 40 8.670 8.670 8.554 0.116 19538 7298 1 13 . 1 1 41 41 LYS N N 41 121.136 121.136 121.511 -0.375 19538 7299 1 13 . 1 1 41 41 LYS HA H 41 4.647 4.647 4.739 -0.092 19538 7300 1 13 . 1 1 41 41 LYS CA C 41 55.062 55.062 54.954 0.108 19538 7301 1 13 . 1 1 41 41 LYS CB C 41 35.064 35.064 36.623 -1.559 19538 7302 1 13 . 1 1 41 41 LYS H H 41 8.273 8.273 8.746 -0.473 19538 7303 1 13 . 1 1 42 42 ALA N N 42 123.758 123.758 126.282 -2.524 19538 7304 1 13 . 1 1 42 42 ALA HA H 42 5.605 5.605 5.334 0.271 19538 7305 1 13 . 1 1 42 42 ALA CA C 42 50.529 50.529 51.172 -0.643 19538 7306 1 13 . 1 1 42 42 ALA CB C 42 22.577 22.577 21.695 0.882 19538 7307 1 13 . 1 1 42 42 ALA H H 42 8.488 8.488 8.639 -0.151 19538 7308 1 13 . 1 1 43 43 TYR N N 43 116.716 116.716 120.269 -3.553 19538 7309 1 13 . 1 1 43 43 TYR HA H 43 4.758 4.758 4.724 0.034 19538 7310 1 13 . 1 1 43 43 TYR CA C 43 55.975 55.975 55.808 0.167 19538 7311 1 13 . 1 1 43 43 TYR CB C 43 38.409 38.409 39.553 -1.143 19538 7312 1 13 . 1 1 43 43 TYR H H 43 8.123 8.123 9.122 -0.999 19538 7313 1 13 . 1 1 44 44 GLY N N 44 106.591 106.591 106.716 -0.125 19538 7314 1 13 . 1 1 44 44 GLY CA C 44 45.172 45.172 44.658 0.513 19538 7315 1 13 . 1 1 44 44 GLY H H 44 8.663 8.663 8.703 -0.040 19538 7316 1 13 . 1 1 45 45 GLU N N 45 118.850 118.850 121.957 -3.107 19538 7317 1 13 . 1 1 45 45 GLU HA H 45 4.310 4.310 3.263 1.047 19538 7318 1 13 . 1 1 45 45 GLU CA C 45 56.286 56.286 57.325 -1.039 19538 7319 1 13 . 1 1 45 45 GLU CB C 45 31.304 31.304 29.622 1.682 19538 7320 1 13 . 1 1 45 45 GLU H H 45 8.287 8.287 8.488 -0.201 19538 7321 1 13 . 1 1 46 46 LEU N N 46 124.692 124.692 119.992 4.700 19538 7322 1 13 . 1 1 46 46 LEU HA H 46 4.361 4.361 4.668 -0.307 19538 7323 1 13 . 1 1 46 46 LEU CA C 46 54.967 54.967 55.959 -0.992 19538 7324 1 13 . 1 1 46 46 LEU CB C 46 41.980 41.980 43.062 -1.081 19538 7325 1 13 . 1 1 46 46 LEU H H 46 9.010 9.010 8.944 0.066 19538 7326 1 13 . 1 1 47 47 ILE N N 47 123.302 123.302 113.880 9.422 19538 7327 1 13 . 1 1 47 47 ILE HA H 47 4.272 4.272 4.410 -0.138 19538 7328 1 13 . 1 1 47 47 ILE CA C 47 60.399 60.399 62.033 -1.634 19538 7329 1 13 . 1 1 47 47 ILE CB C 47 38.676 38.676 38.480 0.196 19538 7330 1 13 . 1 1 47 47 ILE H H 47 8.407 8.407 7.727 0.680 19538 7331 1 13 . 1 1 48 48 THR N N 48 117.749 117.749 117.104 0.645 19538 7332 1 13 . 1 1 48 48 THR HA H 48 4.330 4.330 4.084 0.246 19538 7333 1 13 . 1 1 48 48 THR CA C 48 61.234 61.234 65.531 -4.297 19538 7334 1 13 . 1 1 48 48 THR CB C 48 69.327 69.327 68.330 0.997 19538 7335 1 13 . 1 1 48 48 THR H H 48 8.183 8.183 8.315 -0.132 19538 7336 1 13 . 1 1 49 49 ASN N N 49 120.102 120.102 116.455 3.647 19538 7337 1 13 . 1 1 49 49 ASN HA H 49 4.585 4.585 4.713 -0.128 19538 7338 1 13 . 1 1 49 49 ASN CA C 49 53.193 53.193 52.621 0.572 19538 7339 1 13 . 1 1 49 49 ASN CB C 49 38.261 38.261 37.951 0.310 19538 7340 1 13 . 1 1 49 49 ASN H H 49 8.418 8.418 8.334 0.084 19538 7341 1 13 . 1 1 50 50 ASP N N 50 119.783 119.783 119.972 -0.189 19538 7342 1 13 . 1 1 50 50 ASP HA H 50 4.454 4.454 4.428 0.026 19538 7343 1 13 . 1 1 50 50 ASP CA C 50 53.950 53.950 56.681 -2.731 19538 7344 1 13 . 1 1 50 50 ASP CB C 50 41.231 41.231 40.559 0.672 19538 7345 1 13 . 1 1 50 50 ASP H H 50 8.096 8.096 7.950 0.146 19538 7346 1 13 . 1 1 51 51 LYS N N 51 120.547 120.547 118.774 1.773 19538 7347 1 13 . 1 1 51 51 LYS HA H 51 4.017 4.017 4.317 -0.300 19538 7348 1 13 . 1 1 51 51 LYS CA C 51 56.633 56.633 57.514 -0.881 19538 7349 1 13 . 1 1 51 51 LYS CB C 51 32.052 32.052 33.145 -1.093 19538 7350 1 13 . 1 1 51 51 LYS H H 51 8.173 8.173 7.872 0.301 19538 7351 1 13 . 1 1 52 52 TRP N N 52 120.062 120.062 119.082 0.980 19538 7352 1 13 . 1 1 52 52 TRP HA H 52 4.617 4.617 4.841 -0.224 19538 7353 1 13 . 1 1 52 52 TRP CA C 52 57.045 57.045 58.713 -1.668 19538 7354 1 13 . 1 1 52 52 TRP CB C 52 29.251 29.251 29.782 -0.531 19538 7355 1 13 . 1 1 52 52 TRP H H 52 8.094 8.094 8.055 0.039 19538 7356 1 13 . 1 1 53 53 THR N N 53 115.770 115.770 110.595 5.175 19538 7357 1 13 . 1 1 53 53 THR HA H 53 4.262 4.262 4.690 -0.428 19538 7358 1 13 . 1 1 53 53 THR CA C 53 61.625 61.625 62.087 -0.462 19538 7359 1 13 . 1 1 53 53 THR CB C 53 69.153 69.153 69.684 -0.531 19538 7360 1 13 . 1 1 53 53 THR H H 53 7.789 7.789 8.036 -0.247 19538 7361 1 13 . 1 1 54 54 ARG N N 54 122.136 122.136 121.299 0.837 19538 7362 1 13 . 1 1 54 54 ARG HA H 54 4.133 4.133 4.209 -0.076 19538 7363 1 13 . 1 1 54 54 ARG CA C 54 56.038 56.038 57.494 -1.456 19538 7364 1 13 . 1 1 54 54 ARG CB C 54 30.441 30.441 30.009 0.432 19538 7365 1 13 . 1 1 54 54 ARG H H 54 8.191 8.191 8.491 -0.300 19538 7366 1 13 . 1 1 55 55 ASN N N 55 117.842 117.842 116.160 1.682 19538 7367 1 13 . 1 1 55 55 ASN HA H 55 4.713 4.713 4.439 0.274 19538 7368 1 13 . 1 1 55 55 ASN CA C 55 52.873 52.873 53.465 -0.592 19538 7369 1 13 . 1 1 55 55 ASN CB C 55 38.769 38.769 36.803 1.966 19538 7370 1 13 . 1 1 55 55 ASN H H 55 8.205 8.205 8.542 -0.337 19538 7371 1 13 . 1 1 56 56 ARG N N 56 121.615 121.615 121.734 -0.119 19538 7372 1 13 . 1 1 56 56 ARG HA H 56 4.542 4.542 4.098 0.444 19538 7373 1 13 . 1 1 56 56 ARG CA C 56 53.765 53.765 56.097 -2.332 19538 7374 1 13 . 1 1 56 56 ARG CB C 56 30.009 30.009 28.902 1.107 19538 7375 1 13 . 1 1 56 56 ARG H H 56 8.246 8.246 8.089 0.157 19538 7376 1 13 . 1 1 57 57 PRO HA H 57 4.273 4.273 4.513 -0.240 19538 7377 1 13 . 1 1 57 57 PRO CA C 57 62.424 62.424 61.900 0.524 19538 7378 1 13 . 1 1 57 57 PRO CB C 57 31.987 31.987 32.478 -0.491 19538 7379 1 13 . 1 1 58 58 ILE N N 58 122.700 122.700 120.446 2.254 19538 7380 1 13 . 1 1 58 58 ILE HA H 58 4.089 4.089 3.873 0.216 19538 7381 1 13 . 1 1 58 58 ILE CA C 58 60.655 60.655 62.455 -1.800 19538 7382 1 13 . 1 1 58 58 ILE CB C 58 37.111 37.111 36.130 0.981 19538 7383 1 13 . 1 1 58 58 ILE H H 58 8.098 8.098 8.153 -0.055 19538 7384 1 13 . 1 1 59 59 VAL N N 59 124.097 124.097 119.129 4.968 19538 7385 1 13 . 1 1 59 59 VAL HA H 59 4.549 4.549 4.832 -0.283 19538 7386 1 13 . 1 1 59 59 VAL CA C 59 59.613 59.613 58.599 1.014 19538 7387 1 13 . 1 1 59 59 VAL CB C 59 34.980 34.980 35.392 -0.413 19538 7388 1 13 . 1 1 59 59 VAL H H 59 8.167 8.167 8.029 0.138 19538 7389 1 13 . 1 1 60 60 SER N N 60 119.752 119.752 117.622 2.130 19538 7390 1 13 . 1 1 60 60 SER HA H 60 5.136 5.136 5.146 -0.010 19538 7391 1 13 . 1 1 60 60 SER CA C 60 56.467 56.467 56.561 -0.094 19538 7392 1 13 . 1 1 60 60 SER CB C 60 64.890 64.890 64.302 0.588 19538 7393 1 13 . 1 1 60 60 SER H H 60 8.592 8.592 8.503 0.089 19538 7394 1 13 . 1 1 61 61 THR N N 61 117.559 117.559 118.569 -1.010 19538 7395 1 13 . 1 1 61 61 THR HA H 61 4.576 4.576 4.224 0.352 19538 7396 1 13 . 1 1 61 61 THR CA C 61 61.348 61.348 61.852 -0.504 19538 7397 1 13 . 1 1 61 61 THR CB C 61 70.276 70.276 69.008 1.268 19538 7398 1 13 . 1 1 61 61 THR H H 61 9.214 9.214 9.230 -0.016 19538 7399 1 13 . 1 1 62 62 LYS N N 62 123.743 123.743 128.140 -4.397 19538 7400 1 13 . 1 1 62 62 LYS HA H 62 5.507 5.507 4.503 1.004 19538 7401 1 13 . 1 1 62 62 LYS CA C 62 54.843 54.843 56.366 -1.523 19538 7402 1 13 . 1 1 62 62 LYS CB C 62 35.211 35.211 31.659 3.552 19538 7403 1 13 . 1 1 62 62 LYS H H 62 8.687 8.687 8.146 0.541 19538 7404 1 13 . 1 1 63 63 LYS N N 63 121.218 121.218 125.522 -4.304 19538 7405 1 13 . 1 1 63 63 LYS HA H 63 4.595 4.595 4.616 -0.021 19538 7406 1 13 . 1 1 63 63 LYS CA C 63 54.760 54.760 55.146 -0.386 19538 7407 1 13 . 1 1 63 63 LYS CB C 63 36.712 36.712 35.873 0.839 19538 7408 1 13 . 1 1 63 63 LYS H H 63 8.797 8.797 8.738 0.059 19538 7409 1 13 . 1 1 64 64 LEU N N 64 124.605 124.605 126.369 -1.764 19538 7410 1 13 . 1 1 64 64 LEU HA H 64 4.920 4.920 4.742 0.178 19538 7411 1 13 . 1 1 64 64 LEU CA C 64 53.797 53.797 54.035 -0.238 19538 7412 1 13 . 1 1 64 64 LEU CB C 64 43.553 43.553 43.644 -0.091 19538 7413 1 13 . 1 1 64 64 LEU H H 64 8.604 8.604 8.600 0.004 19538 7414 1 13 . 1 1 65 65 ASP N N 65 122.577 122.577 126.348 -3.771 19538 7415 1 13 . 1 1 65 65 ASP HA H 65 4.664 4.664 5.039 -0.375 19538 7416 1 13 . 1 1 65 65 ASP CA C 65 51.824 51.824 52.399 -0.575 19538 7417 1 13 . 1 1 65 65 ASP CB C 65 41.277 41.277 43.238 -1.961 19538 7418 1 13 . 1 1 65 65 ASP H H 65 8.455 8.455 8.731 -0.276 19538 7419 1 13 . 1 1 66 66 LYS N N 66 117.718 117.718 119.388 -1.670 19538 7420 1 13 . 1 1 66 66 LYS HA H 66 4.052 4.052 4.001 0.051 19538 7421 1 13 . 1 1 66 66 LYS CA C 66 58.116 58.116 58.747 -0.631 19538 7422 1 13 . 1 1 66 66 LYS CB C 66 31.677 31.677 32.051 -0.374 19538 7423 1 13 . 1 1 66 66 LYS H H 66 8.339 8.339 8.675 -0.336 19538 7424 1 13 . 1 1 67 67 GLU N N 67 118.253 118.253 119.559 -1.306 19538 7425 1 13 . 1 1 67 67 GLU HA H 67 4.323 4.323 4.157 0.166 19538 7426 1 13 . 1 1 67 67 GLU CA C 67 56.018 56.018 57.499 -1.481 19538 7427 1 13 . 1 1 67 67 GLU CB C 67 29.587 29.587 29.662 -0.075 19538 7428 1 13 . 1 1 67 67 GLU H H 67 8.096 8.096 8.043 0.053 19538 7429 1 13 . 1 1 68 68 GLY N N 68 107.960 107.960 105.284 2.676 19538 7430 1 13 . 1 1 68 68 GLY CA C 68 45.213 45.213 45.782 -0.569 19538 7431 1 13 . 1 1 68 68 GLY H H 68 8.168 8.168 8.607 -0.439 19538 7432 1 13 . 1 1 69 69 ARG N N 69 121.436 121.436 119.551 1.885 19538 7433 1 13 . 1 1 69 69 ARG HA H 69 4.482 4.482 4.874 -0.392 19538 7434 1 13 . 1 1 69 69 ARG CA C 69 54.229 54.229 53.232 0.997 19538 7435 1 13 . 1 1 69 69 ARG CB C 69 30.399 30.399 31.079 -0.680 19538 7436 1 13 . 1 1 69 69 ARG H H 69 8.590 8.590 7.686 0.904 19538 7437 1 13 . 1 1 70 70 THR N N 70 120.709 120.709 121.366 -0.657 19538 7438 1 13 . 1 1 70 70 THR HA H 70 4.298 4.298 4.397 -0.099 19538 7439 1 13 . 1 1 70 70 THR CA C 70 64.365 64.365 64.055 0.310 19538 7440 1 13 . 1 1 70 70 THR CB C 70 68.832 68.832 69.156 -0.324 19538 7441 1 13 . 1 1 70 70 THR H H 70 8.822 8.822 8.808 0.014 19538 7442 1 13 . 1 1 71 71 HIS N N 71 127.496 127.496 127.175 0.321 19538 7443 1 13 . 1 1 71 71 HIS HA H 71 5.138 5.138 4.999 0.139 19538 7444 1 13 . 1 1 71 71 HIS CA C 71 53.948 53.948 56.794 -2.846 19538 7445 1 13 . 1 1 71 71 HIS CB C 71 31.791 31.791 31.820 -0.029 19538 7446 1 13 . 1 1 71 71 HIS H H 71 9.384 9.384 9.766 -0.382 19538 7447 1 13 . 1 1 72 72 HIS N N 72 121.684 121.684 125.392 -3.708 19538 7448 1 13 . 1 1 72 72 HIS HA H 72 5.094 5.094 4.807 0.287 19538 7449 1 13 . 1 1 72 72 HIS CA C 72 54.390 54.390 55.059 -0.668 19538 7450 1 13 . 1 1 72 72 HIS CB C 72 33.961 33.961 30.839 3.122 19538 7451 1 13 . 1 1 72 72 HIS H H 72 9.076 9.076 9.475 -0.399 19538 7452 1 13 . 1 1 73 73 TYR N N 73 121.287 121.287 126.506 -5.219 19538 7453 1 13 . 1 1 73 73 TYR HA H 73 5.305 5.305 5.004 0.301 19538 7454 1 13 . 1 1 73 73 TYR CA C 73 56.017 56.017 57.587 -1.570 19538 7455 1 13 . 1 1 73 73 TYR CB C 73 39.479 39.479 38.988 0.491 19538 7456 1 13 . 1 1 73 73 TYR H H 73 9.305 9.305 9.223 0.082 19538 7457 1 13 . 1 1 74 74 MET N N 74 124.078 124.078 124.867 -0.789 19538 7458 1 13 . 1 1 74 74 MET HA H 74 4.867 4.867 5.563 -0.696 19538 7459 1 13 . 1 1 74 74 MET CA C 74 54.701 54.701 54.488 0.213 19538 7460 1 13 . 1 1 74 74 MET CB C 74 38.007 38.007 37.123 0.884 19538 7461 1 13 . 1 1 74 74 MET H H 74 8.761 8.761 9.036 -0.275 19538 7462 1 13 . 1 1 75 75 ARG N N 75 123.962 123.962 124.681 -0.719 19538 7463 1 13 . 1 1 75 75 ARG HA H 75 5.471 5.471 5.567 -0.096 19538 7464 1 13 . 1 1 75 75 ARG CA C 75 53.340 53.340 54.363 -1.023 19538 7465 1 13 . 1 1 75 75 ARG CB C 75 34.441 34.441 33.464 0.978 19538 7466 1 13 . 1 1 75 75 ARG H H 75 8.427 8.427 8.911 -0.484 19538 7467 1 13 . 1 1 76 76 PHE N N 76 114.935 114.935 117.937 -3.002 19538 7468 1 13 . 1 1 76 76 PHE HA H 76 4.621 4.621 4.730 -0.109 19538 7469 1 13 . 1 1 76 76 PHE CA C 76 55.856 55.856 56.343 -0.487 19538 7470 1 13 . 1 1 76 76 PHE CB C 76 39.167 39.167 41.407 -2.240 19538 7471 1 13 . 1 1 76 76 PHE H H 76 8.296 8.296 8.945 -0.649 19538 7472 1 13 . 1 1 77 77 HIS N N 77 117.830 117.830 119.133 -1.303 19538 7473 1 13 . 1 1 77 77 HIS HA H 77 5.451 5.451 5.700 -0.249 19538 7474 1 13 . 1 1 77 77 HIS CA C 77 54.767 54.767 53.640 1.127 19538 7475 1 13 . 1 1 77 77 HIS CB C 77 31.102 31.102 32.301 -1.199 19538 7476 1 13 . 1 1 77 77 HIS H H 77 9.190 9.190 9.261 -0.071 19538 7477 1 13 . 1 1 78 78 VAL N N 78 114.372 114.372 118.434 -4.062 19538 7478 1 13 . 1 1 78 78 VAL HA H 78 5.110 5.110 5.163 -0.053 19538 7479 1 13 . 1 1 78 78 VAL CA C 78 59.653 59.653 59.085 0.568 19538 7480 1 13 . 1 1 78 78 VAL CB C 78 35.073 35.073 35.324 -0.251 19538 7481 1 13 . 1 1 78 78 VAL H H 78 7.860 7.860 9.384 -1.524 19538 7482 1 13 . 1 1 79 79 GLU N N 79 126.076 126.076 124.078 1.998 19538 7483 1 13 . 1 1 79 79 GLU HA H 79 5.400 5.400 4.703 0.697 19538 7484 1 13 . 1 1 79 79 GLU CA C 79 54.316 54.316 55.383 -1.067 19538 7485 1 13 . 1 1 79 79 GLU CB C 79 34.060 34.060 31.232 2.828 19538 7486 1 13 . 1 1 79 79 GLU H H 79 9.213 9.213 9.466 -0.253 19538 7487 1 13 . 1 1 80 80 SER N N 80 124.627 124.627 123.737 0.890 19538 7488 1 13 . 1 1 80 80 SER HA H 80 4.892 4.892 4.544 0.348 19538 7489 1 13 . 1 1 80 80 SER CA C 80 54.930 54.930 57.887 -2.957 19538 7490 1 13 . 1 1 80 80 SER CB C 80 67.503 67.503 63.654 3.849 19538 7491 1 13 . 1 1 80 80 SER H H 80 9.464 9.464 9.220 0.244 19538 7492 1 13 . 1 1 81 81 LYS N N 81 119.240 119.240 119.871 -0.631 19538 7493 1 13 . 1 1 81 81 LYS HA H 81 4.000 4.000 4.136 -0.136 19538 7494 1 13 . 1 1 81 81 LYS CA C 81 59.099 59.099 58.842 0.257 19538 7495 1 13 . 1 1 81 81 LYS CB C 81 31.721 31.721 32.291 -0.570 19538 7496 1 13 . 1 1 81 81 LYS H H 81 10.052 10.052 8.211 1.841 19538 7497 1 13 . 1 1 82 82 LYS N N 82 114.688 114.688 115.301 -0.613 19538 7498 1 13 . 1 1 82 82 LYS HA H 82 4.365 4.365 4.386 -0.021 19538 7499 1 13 . 1 1 82 82 LYS CA C 82 56.211 56.211 56.559 -0.348 19538 7500 1 13 . 1 1 82 82 LYS CB C 82 36.484 36.484 34.468 2.016 19538 7501 1 13 . 1 1 82 82 LYS H H 82 7.782 7.782 7.906 -0.124 19538 7502 1 13 . 1 1 83 83 LYS N N 83 118.992 118.992 118.896 0.096 19538 7503 1 13 . 1 1 83 83 LYS HA H 83 4.749 4.749 4.711 0.038 19538 7504 1 13 . 1 1 83 83 LYS CA C 83 53.590 53.590 54.221 -0.631 19538 7505 1 13 . 1 1 83 83 LYS CB C 83 39.218 39.218 35.892 3.326 19538 7506 1 13 . 1 1 83 83 LYS H H 83 7.962 7.962 7.852 0.110 19538 7507 1 13 . 1 1 84 84 ILE N N 84 118.513 118.513 120.029 -1.516 19538 7508 1 13 . 1 1 84 84 ILE HA H 84 4.556 4.556 4.760 -0.204 19538 7509 1 13 . 1 1 84 84 ILE CA C 84 60.643 60.643 60.417 0.226 19538 7510 1 13 . 1 1 84 84 ILE CB C 84 39.946 39.946 38.984 0.962 19538 7511 1 13 . 1 1 84 84 ILE H H 84 7.927 7.927 8.432 -0.505 19538 7512 1 13 . 1 1 85 85 ALA N N 85 127.327 127.327 129.799 -2.472 19538 7513 1 13 . 1 1 85 85 ALA HA H 85 5.048 5.048 4.891 0.157 19538 7514 1 13 . 1 1 85 85 ALA CA C 85 49.316 49.316 49.707 -0.391 19538 7515 1 13 . 1 1 85 85 ALA CB C 85 24.205 24.205 22.950 1.256 19538 7516 1 13 . 1 1 85 85 ALA H H 85 9.211 9.211 9.138 0.073 19538 7517 1 13 . 1 1 86 86 LEU N N 86 122.978 122.978 121.806 1.172 19538 7518 1 13 . 1 1 86 86 LEU HA H 86 4.554 4.554 5.224 -0.670 19538 7519 1 13 . 1 1 86 86 LEU CA C 86 53.671 53.671 53.374 0.297 19538 7520 1 13 . 1 1 86 86 LEU CB C 86 44.396 44.396 45.480 -1.084 19538 7521 1 13 . 1 1 86 86 LEU H H 86 8.312 8.312 9.147 -0.835 19538 7522 1 13 . 1 1 87 87 VAL N N 87 127.511 127.511 125.689 1.822 19538 7523 1 13 . 1 1 87 87 VAL HA H 87 4.244 4.244 4.525 -0.281 19538 7524 1 13 . 1 1 87 87 VAL CA C 87 60.226 60.226 60.396 -0.170 19538 7525 1 13 . 1 1 87 87 VAL CB C 87 31.609 31.609 33.350 -1.741 19538 7526 1 13 . 1 1 87 87 VAL H H 87 9.017 9.017 9.120 -0.103 19538 7527 1 13 . 1 1 88 88 HIS N N 88 124.227 124.227 127.173 -2.946 19538 7528 1 13 . 1 1 88 88 HIS HA H 88 4.687 4.687 5.078 -0.391 19538 7529 1 13 . 1 1 88 88 HIS CA C 88 54.314 54.314 52.950 1.364 19538 7530 1 13 . 1 1 88 88 HIS CB C 88 33.245 33.245 32.725 0.520 19538 7531 1 13 . 1 1 88 88 HIS H H 88 8.104 8.104 8.600 -0.496 19538 7532 1 13 . 1 1 89 89 LEU N N 89 121.992 121.992 128.487 -6.495 19538 7533 1 13 . 1 1 89 89 LEU HA H 89 5.050 5.050 4.849 0.201 19538 7534 1 13 . 1 1 89 89 LEU CA C 89 52.983 52.983 53.720 -0.737 19538 7535 1 13 . 1 1 89 89 LEU CB C 89 46.355 46.355 46.193 0.162 19538 7536 1 13 . 1 1 89 89 LEU H H 89 8.600 8.600 9.482 -0.882 19538 7537 1 13 . 1 1 90 90 GLU N N 90 121.551 121.551 127.219 -5.668 19538 7538 1 13 . 1 1 90 90 GLU HA H 90 5.253 5.253 5.502 -0.249 19538 7539 1 13 . 1 1 90 90 GLU CA C 90 53.422 53.422 53.854 -0.432 19538 7540 1 13 . 1 1 90 90 GLU CB C 90 33.238 33.238 32.868 0.370 19538 7541 1 13 . 1 1 90 90 GLU H H 90 8.816 8.816 9.380 -0.564 19538 7542 1 13 . 1 1 91 91 ALA N N 91 128.266 128.266 128.867 -0.601 19538 7543 1 13 . 1 1 91 91 ALA HA H 91 5.385 5.385 5.539 -0.154 19538 7544 1 13 . 1 1 91 91 ALA CA C 91 49.164 49.164 50.072 -0.908 19538 7545 1 13 . 1 1 91 91 ALA CB C 91 23.227 23.227 23.606 -0.379 19538 7546 1 13 . 1 1 91 91 ALA H H 91 9.287 9.287 8.918 0.369 19538 7547 1 13 . 1 1 92 92 LYS N N 92 121.573 121.573 119.353 2.220 19538 7548 1 13 . 1 1 92 92 LYS HA H 92 4.884 4.884 5.257 -0.373 19538 7549 1 13 . 1 1 92 92 LYS CA C 92 54.365 54.365 53.852 0.513 19538 7550 1 13 . 1 1 92 92 LYS CB C 92 36.427 36.427 35.455 0.972 19538 7551 1 13 . 1 1 92 92 LYS H H 92 9.160 9.160 8.924 0.236 19538 7552 1 13 . 1 1 93 93 GLU N N 93 127.022 127.022 125.608 1.414 19538 7553 1 13 . 1 1 93 93 GLU HA H 93 4.145 4.145 4.326 -0.181 19538 7554 1 13 . 1 1 93 93 GLU CA C 93 56.227 56.227 56.661 -0.434 19538 7555 1 13 . 1 1 93 93 GLU CB C 93 30.986 30.986 29.396 1.590 19538 7556 1 13 . 1 1 93 93 GLU H H 93 8.525 8.525 9.205 -0.680 19538 7557 1 13 . 1 1 94 94 SER N N 94 120.676 120.676 120.868 -0.192 19538 7558 1 13 . 1 1 94 94 SER HA H 94 4.416 4.416 4.274 0.142 19538 7559 1 13 . 1 1 94 94 SER CA C 94 57.241 57.241 58.997 -1.756 19538 7560 1 13 . 1 1 94 94 SER CB C 94 63.634 63.634 63.912 -0.278 19538 7561 1 13 . 1 1 94 94 SER H H 94 8.877 8.877 8.154 0.723 19538 7562 1 13 . 1 1 95 95 LYS HA H 95 4.212 4.212 4.150 0.062 19538 7563 1 13 . 1 1 95 95 LYS CA C 95 56.036 56.036 58.206 -2.170 19538 7564 1 13 . 1 1 95 95 LYS CB C 95 33.113 33.113 32.423 0.690 19538 7565 1 13 . 1 1 96 96 GLN N N 96 118.641 118.641 116.215 2.426 19538 7566 1 13 . 1 1 96 96 GLN HA H 96 4.140 4.140 4.265 -0.125 19538 7567 1 13 . 1 1 96 96 GLN CA C 96 56.338 56.338 55.788 0.550 19538 7568 1 13 . 1 1 96 96 GLN CB C 96 28.958 28.958 29.292 -0.334 19538 7569 1 13 . 1 1 96 96 GLN H H 96 8.335 8.335 7.952 0.383 19538 7570 1 13 . 1 1 97 97 ASN N N 97 116.545 116.545 118.375 -1.830 19538 7571 1 13 . 1 1 97 97 ASN HA H 97 4.511 4.511 4.470 0.041 19538 7572 1 13 . 1 1 97 97 ASN CA C 97 53.163 53.163 52.929 0.234 19538 7573 1 13 . 1 1 97 97 ASN CB C 97 38.370 38.370 38.955 -0.585 19538 7574 1 13 . 1 1 97 97 ASN H H 97 8.199 8.199 7.848 0.351 19538 7575 1 13 . 1 1 98 98 TYR N N 98 119.134 119.134 122.945 -3.811 19538 7576 1 13 . 1 1 98 98 TYR HA H 98 4.482 4.482 4.214 0.268 19538 7577 1 13 . 1 1 98 98 TYR CA C 98 57.458 57.458 60.266 -2.808 19538 7578 1 13 . 1 1 98 98 TYR CB C 98 38.539 38.539 38.515 0.024 19538 7579 1 13 . 1 1 98 98 TYR H H 98 7.918 7.918 8.416 -0.498 19538 7580 1 13 . 1 1 99 99 GLN N N 99 119.975 119.975 117.115 2.860 19538 7581 1 13 . 1 1 99 99 GLN HA H 99 4.440 4.440 4.617 -0.177 19538 7582 1 13 . 1 1 99 99 GLN CA C 99 53.092 53.092 53.285 -0.193 19538 7583 1 13 . 1 1 99 99 GLN CB C 99 27.891 27.891 28.899 -1.008 19538 7584 1 13 . 1 1 99 99 GLN H H 99 7.992 7.992 8.899 -0.907 19538 7585 1 13 . 1 1 100 100 PRO HA H 100 4.294 4.294 4.586 -0.292 19538 7586 1 13 . 1 1 100 100 PRO CA C 100 62.415 62.415 62.248 0.167 19538 7587 1 13 . 1 1 100 100 PRO CB C 100 32.538 32.538 32.056 0.482 19538 7588 1 13 . 1 1 101 101 ASP N N 101 120.964 120.964 121.555 -0.591 19538 7589 1 13 . 1 1 101 101 ASP HA H 101 4.654 4.654 4.447 0.207 19538 7590 1 13 . 1 1 101 101 ASP CA C 101 52.845 52.845 52.666 0.179 19538 7591 1 13 . 1 1 101 101 ASP CB C 101 42.316 42.316 41.666 0.650 19538 7592 1 13 . 1 1 101 101 ASP H H 101 8.225 8.225 8.903 -0.678 19538 7593 1 13 . 1 1 102 102 PHE N N 102 122.913 122.913 125.601 -2.688 19538 7594 1 13 . 1 1 102 102 PHE HA H 102 4.642 4.642 4.471 0.171 19538 7595 1 13 . 1 1 102 102 PHE CA C 102 57.341 57.341 58.136 -0.795 19538 7596 1 13 . 1 1 102 102 PHE CB C 102 38.576 38.576 37.369 1.207 19538 7597 1 13 . 1 1 102 102 PHE H H 102 9.014 9.014 8.304 0.710 19538 7598 1 13 . 1 1 103 103 ILE N N 103 117.131 117.131 123.501 -6.370 19538 7599 1 13 . 1 1 103 103 ILE HA H 103 4.464 4.464 3.755 0.709 19538 7600 1 13 . 1 1 103 103 ILE CA C 103 60.346 60.346 64.063 -3.717 19538 7601 1 13 . 1 1 103 103 ILE CB C 103 39.243 39.243 38.495 0.748 19538 7602 1 13 . 1 1 103 103 ILE H H 103 8.765 8.765 7.948 0.817 19538 7603 1 13 . 1 1 104 104 ASN N N 104 117.264 117.264 115.147 2.117 19538 7604 1 13 . 1 1 104 104 ASN HA H 104 4.913 4.913 5.076 -0.163 19538 7605 1 13 . 1 1 104 104 ASN CA C 104 52.710 52.710 52.393 0.317 19538 7606 1 13 . 1 1 104 104 ASN CB C 104 41.361 41.361 42.481 -1.120 19538 7607 1 13 . 1 1 104 104 ASN H H 104 7.441 7.441 8.119 -0.678 19538 7608 1 13 . 1 1 105 105 MET N N 105 125.685 125.685 120.134 5.551 19538 7609 1 13 . 1 1 105 105 MET HA H 105 5.484 5.484 5.226 0.258 19538 7610 1 13 . 1 1 105 105 MET CA C 105 56.071 56.071 55.334 0.737 19538 7611 1 13 . 1 1 105 105 MET CB C 105 34.514 34.514 35.079 -0.565 19538 7612 1 13 . 1 1 105 105 MET H H 105 9.244 9.244 8.475 0.769 19538 7613 1 13 . 1 1 106 106 TYR N N 106 125.856 125.856 120.561 5.295 19538 7614 1 13 . 1 1 106 106 TYR HA H 106 5.438 5.438 5.420 0.018 19538 7615 1 13 . 1 1 106 106 TYR CA C 106 54.552 54.552 55.214 -0.662 19538 7616 1 13 . 1 1 106 106 TYR CB C 106 40.104 40.104 40.973 -0.869 19538 7617 1 13 . 1 1 106 106 TYR H H 106 8.893 8.893 8.511 0.382 19538 7618 1 13 . 1 1 107 107 VAL N N 107 117.033 117.033 119.674 -2.641 19538 7619 1 13 . 1 1 107 107 VAL HA H 107 4.957 4.957 4.609 0.348 19538 7620 1 13 . 1 1 107 107 VAL CA C 107 60.008 60.008 61.421 -1.413 19538 7621 1 13 . 1 1 107 107 VAL CB C 107 35.319 35.319 34.179 1.140 19538 7622 1 13 . 1 1 107 107 VAL H H 107 9.041 9.041 9.349 -0.308 19538 7623 1 13 . 1 1 108 108 ASP N N 108 129.995 129.995 127.965 2.030 19538 7624 1 13 . 1 1 108 108 ASP HA H 108 5.240 5.240 5.053 0.187 19538 7625 1 13 . 1 1 108 108 ASP CA C 108 52.975 52.975 51.967 1.008 19538 7626 1 13 . 1 1 108 108 ASP CB C 108 42.245 42.245 42.798 -0.553 19538 7627 1 13 . 1 1 108 108 ASP H H 108 9.382 9.382 9.382 0.000 19538 7628 1 13 . 1 1 109 109 VAL N N 109 129.641 129.641 125.479 4.162 19538 7629 1 13 . 1 1 109 109 VAL HA H 109 4.464 4.464 4.475 -0.011 19538 7630 1 13 . 1 1 109 109 VAL CA C 109 58.694 58.694 58.464 0.230 19538 7631 1 13 . 1 1 109 109 VAL CB C 109 33.061 33.061 33.831 -0.770 19538 7632 1 13 . 1 1 109 109 VAL H H 109 9.181 9.181 8.222 0.959 19538 7633 1 13 . 1 1 110 110 PRO HA H 110 4.288 4.288 4.265 0.023 19538 7634 1 13 . 1 1 110 110 PRO CA C 110 64.107 64.107 64.397 -0.290 19538 7635 1 13 . 1 1 110 110 PRO CB C 110 31.557 31.557 31.858 -0.301 19538 7636 1 13 . 1 1 111 111 GLY N N 111 112.873 112.873 110.675 2.198 19538 7637 1 13 . 1 1 111 111 GLY CA C 111 44.872 44.872 45.231 -0.359 19538 7638 1 13 . 1 1 111 111 GLY H H 111 8.839 8.839 8.612 0.227 19538 7639 1 13 . 1 1 112 112 GLU N N 112 118.157 118.157 120.606 -2.449 19538 7640 1 13 . 1 1 112 112 GLU HA H 112 4.858 4.858 4.599 0.259 19538 7641 1 13 . 1 1 112 112 GLU CA C 112 52.732 52.732 54.830 -2.098 19538 7642 1 13 . 1 1 112 112 GLU CB C 112 31.513 31.513 31.751 -0.238 19538 7643 1 13 . 1 1 112 112 GLU H H 112 8.136 8.136 8.007 0.129 19538 7644 1 13 . 1 1 113 113 LYS N N 113 121.944 121.944 120.920 1.024 19538 7645 1 13 . 1 1 113 113 LYS HA H 113 4.208 4.208 4.372 -0.164 19538 7646 1 13 . 1 1 113 113 LYS CA C 113 55.810 55.810 56.168 -0.358 19538 7647 1 13 . 1 1 113 113 LYS CB C 113 32.157 32.157 33.283 -1.126 19538 7648 1 13 . 1 1 113 113 LYS H H 113 8.847 8.847 8.335 0.512 19538 7649 1 13 . 1 1 114 114 ARG N N 114 126.520 126.520 121.612 4.908 19538 7650 1 13 . 1 1 114 114 ARG HA H 114 4.064 4.064 4.269 -0.205 19538 7651 1 13 . 1 1 114 114 ARG CA C 114 57.914 57.914 56.454 1.460 19538 7652 1 13 . 1 1 114 114 ARG CB C 114 30.627 30.627 31.113 -0.486 19538 7653 1 13 . 1 1 114 114 ARG H H 114 8.539 8.539 8.291 0.248 19538 7654 1 13 . 1 1 115 115 TYR N N 115 128.478 128.478 126.037 2.441 19538 7655 1 13 . 1 1 115 115 TYR HA H 115 4.671 4.671 4.908 -0.237 19538 7656 1 13 . 1 1 115 115 TYR CA C 115 56.519 56.519 57.480 -0.961 19538 7657 1 13 . 1 1 115 115 TYR CB C 115 40.193 40.193 42.440 -2.247 19538 7658 1 13 . 1 1 115 115 TYR H H 115 8.333 8.333 8.366 -0.033 19538 7659 1 13 . 1 1 116 116 TYR N N 116 127.101 127.101 127.608 -0.507 19538 7660 1 13 . 1 1 116 116 TYR HA H 116 4.553 4.553 4.709 -0.156 19538 7661 1 13 . 1 1 116 116 TYR CA C 116 58.502 58.502 58.111 0.391 19538 7662 1 13 . 1 1 116 116 TYR CB C 116 38.842 38.842 37.773 1.069 19538 7663 1 13 . 1 1 116 116 TYR H H 116 8.740 8.740 8.547 0.193 19538 7664 1 13 . 1 1 117 117 LEU N N 117 125.574 125.574 124.643 0.931 19538 7665 1 13 . 1 1 117 117 LEU HA H 117 4.394 4.394 4.305 0.089 19538 7666 1 13 . 1 1 117 117 LEU CA C 117 57.384 57.384 56.721 0.663 19538 7667 1 13 . 1 1 117 117 LEU CB C 117 43.272 43.272 42.865 0.407 19538 7668 1 13 . 1 1 117 117 LEU H H 117 8.427 8.427 8.399 0.028 19538 7669 1 13 . 1 1 118 118 ILE N N 118 118.478 118.478 119.089 -0.611 19538 7670 1 13 . 1 1 118 118 ILE HA H 118 4.199 4.199 4.247 -0.048 19538 7671 1 13 . 1 1 118 118 ILE CA C 118 60.074 60.074 60.241 -0.167 19538 7672 1 13 . 1 1 118 118 ILE CB C 118 40.895 40.895 39.888 1.007 19538 7673 1 13 . 1 1 118 118 ILE H H 118 7.983 7.983 8.400 -0.417 19538 7674 1 13 . 1 1 119 119 LYS N N 119 127.589 127.589 128.662 -1.073 19538 7675 1 13 . 1 1 119 119 LYS HA H 119 4.778 4.778 4.634 0.144 19538 7676 1 13 . 1 1 119 119 LYS CA C 119 53.232 53.232 52.780 0.452 19538 7677 1 13 . 1 1 119 119 LYS CB C 119 32.581 32.581 31.086 1.495 19538 7678 1 13 . 1 1 119 119 LYS H H 119 8.550 8.550 8.603 -0.053 19538 7679 1 13 . 1 1 120 120 PRO HA H 120 4.534 4.534 4.876 -0.342 19538 7680 1 13 . 1 1 120 120 PRO CA C 120 62.395 62.395 61.976 0.419 19538 7681 1 13 . 1 1 120 120 PRO CB C 120 32.059 32.059 32.513 -0.454 19538 7682 1 13 . 1 1 121 121 LYS N N 121 122.191 122.191 119.389 2.802 19538 7683 1 13 . 1 1 121 121 LYS HA H 121 4.136 4.136 4.079 0.057 19538 7684 1 13 . 1 1 121 121 LYS CA C 121 55.840 55.840 56.477 -0.637 19538 7685 1 13 . 1 1 121 121 LYS CB C 121 33.162 33.162 29.727 3.435 19538 7686 1 13 . 1 1 121 121 LYS H H 121 8.406 8.406 8.373 0.033 19538 7687 1 13 . 1 1 122 122 LEU N N 122 122.972 122.972 121.072 1.900 19538 7688 1 13 . 1 1 122 122 LEU HA H 122 4.219 4.219 3.959 0.260 19538 7689 1 13 . 1 1 122 122 LEU CA C 122 54.494 54.494 54.908 -0.414 19538 7690 1 13 . 1 1 122 122 LEU CB C 122 41.990 41.990 42.441 -0.451 19538 7691 1 13 . 1 1 122 122 LEU H H 122 8.158 8.158 8.639 -0.481 19538 7692 1 13 . 1 1 123 123 HIS N N 123 121.608 121.608 120.887 0.721 19538 7693 1 13 . 1 1 123 123 HIS HA H 123 4.776 4.776 4.825 -0.049 19538 7694 1 13 . 1 1 123 123 HIS CA C 123 53.651 53.651 52.884 0.767 19538 7695 1 13 . 1 1 123 123 HIS CB C 123 30.145 30.145 29.375 0.770 19538 7696 1 13 . 1 1 123 123 HIS H H 123 8.172 8.172 7.215 0.957 19538 7697 1 13 . 1 1 124 124 PRO HA H 124 4.085 4.085 4.372 -0.287 19538 7698 1 13 . 1 1 124 124 PRO CA C 124 62.119 62.119 62.687 -0.568 19538 7699 1 13 . 1 1 124 124 PRO CB C 124 33.900 33.900 32.660 1.240 19538 7700 1 13 . 1 1 125 125 VAL N N 125 120.758 120.758 121.494 -0.736 19538 7701 1 13 . 1 1 125 125 VAL HA H 125 4.085 4.085 3.688 0.397 19538 7702 1 13 . 1 1 125 125 VAL CA C 125 61.791 61.791 65.046 -3.255 19538 7703 1 13 . 1 1 125 125 VAL CB C 125 32.635 32.635 31.838 0.797 19538 7704 1 13 . 1 1 125 125 VAL H H 125 8.361 8.361 8.307 0.054 19538 7705 1 13 . 1 1 126 126 SER N N 126 119.450 119.450 114.938 4.512 19538 7706 1 13 . 1 1 126 126 SER HA H 126 4.417 4.417 4.380 0.037 19538 7707 1 13 . 1 1 126 126 SER CA C 126 57.522 57.522 58.338 -0.816 19538 7708 1 13 . 1 1 126 126 SER CB C 126 63.634 63.634 61.523 2.111 19538 7709 1 13 . 1 1 126 126 SER H H 126 8.323 8.323 8.311 0.012 19538 7710 1 14 . 1 1 2 2 ALA N N 2 122.815 122.815 124.716 -1.901 19538 7711 1 14 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.349 -0.056 19538 7712 1 14 . 1 1 2 2 ALA CA C 2 52.085 52.085 53.661 -1.576 19538 7713 1 14 . 1 1 2 2 ALA CB C 2 19.067 19.067 19.203 -0.136 19538 7714 1 14 . 1 1 2 2 ALA H H 2 8.102 8.102 8.914 -0.812 19538 7715 1 14 . 1 1 3 3 MET N N 3 119.897 119.897 116.223 3.674 19538 7716 1 14 . 1 1 3 3 MET HA H 3 4.401 4.401 4.077 0.324 19538 7717 1 14 . 1 1 3 3 MET CA C 3 55.339 55.339 57.091 -1.752 19538 7718 1 14 . 1 1 3 3 MET CB C 3 32.938 32.938 31.983 0.956 19538 7719 1 14 . 1 1 3 3 MET H H 3 8.501 8.501 8.230 0.271 19538 7720 1 14 . 1 1 4 4 GLY N N 4 110.174 110.174 106.474 3.700 19538 7721 1 14 . 1 1 4 4 GLY CA C 4 44.706 44.706 44.545 0.161 19538 7722 1 14 . 1 1 4 4 GLY H H 4 8.498 8.498 8.505 -0.007 19538 7723 1 14 . 1 1 5 5 SER HA H 5 4.368 4.368 4.621 -0.253 19538 7724 1 14 . 1 1 5 5 SER CA C 5 58.467 58.467 59.869 -1.402 19538 7725 1 14 . 1 1 5 5 SER CB C 5 63.530 63.530 62.886 0.644 19538 7726 1 14 . 1 1 6 6 GLY CA C 6 45.983 45.983 48.085 -2.102 19538 7727 1 14 . 1 1 7 7 ASP N N 7 122.649 122.649 121.276 1.373 19538 7728 1 14 . 1 1 7 7 ASP HA H 7 4.375 4.375 4.545 -0.170 19538 7729 1 14 . 1 1 7 7 ASP CA C 7 56.523 56.523 57.378 -0.855 19538 7730 1 14 . 1 1 7 7 ASP CB C 7 40.235 40.235 39.531 0.704 19538 7731 1 14 . 1 1 7 7 ASP H H 7 8.457 8.457 8.677 -0.220 19538 7732 1 14 . 1 1 8 8 THR N N 8 116.751 116.751 117.638 -0.887 19538 7733 1 14 . 1 1 8 8 THR HA H 8 3.853 3.853 4.099 -0.246 19538 7734 1 14 . 1 1 8 8 THR CA C 8 66.104 66.104 67.090 -0.986 19538 7735 1 14 . 1 1 8 8 THR CB C 8 68.047 68.047 68.375 -0.328 19538 7736 1 14 . 1 1 8 8 THR H H 8 8.128 8.128 8.090 0.038 19538 7737 1 14 . 1 1 9 9 GLN N N 9 120.186 120.186 121.224 -1.038 19538 7738 1 14 . 1 1 9 9 GLN HA H 9 4.038 4.038 4.112 -0.074 19538 7739 1 14 . 1 1 9 9 GLN CA C 9 58.699 58.699 59.614 -0.915 19538 7740 1 14 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.687 -0.587 19538 7741 1 14 . 1 1 9 9 GLN H H 9 7.831 7.831 8.980 -1.149 19538 7742 1 14 . 1 1 10 10 LEU N N 10 120.735 120.735 120.433 0.302 19538 7743 1 14 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.185 -0.268 19538 7744 1 14 . 1 1 10 10 LEU CA C 10 58.126 58.126 58.202 -0.076 19538 7745 1 14 . 1 1 10 10 LEU CB C 10 41.935 41.935 41.799 0.136 19538 7746 1 14 . 1 1 10 10 LEU H H 10 7.670 7.670 8.779 -1.109 19538 7747 1 14 . 1 1 11 11 PHE N N 11 117.802 117.802 120.644 -2.842 19538 7748 1 14 . 1 1 11 11 PHE HA H 11 3.821 3.821 3.858 -0.037 19538 7749 1 14 . 1 1 11 11 PHE CA C 11 60.224 60.224 62.137 -1.913 19538 7750 1 14 . 1 1 11 11 PHE CB C 11 38.798 38.798 38.815 -0.017 19538 7751 1 14 . 1 1 11 11 PHE H H 11 7.939 7.939 9.306 -1.367 19538 7752 1 14 . 1 1 12 12 ASN N N 12 117.152 117.152 118.249 -1.097 19538 7753 1 14 . 1 1 12 12 ASN HA H 12 3.868 3.868 4.168 -0.300 19538 7754 1 14 . 1 1 12 12 ASN CA C 12 55.410 55.410 56.441 -1.031 19538 7755 1 14 . 1 1 12 12 ASN CB C 12 37.188 37.188 37.824 -0.636 19538 7756 1 14 . 1 1 12 12 ASN H H 12 8.562 8.562 8.736 -0.174 19538 7757 1 14 . 1 1 13 13 ARG N N 13 119.825 119.825 121.360 -1.535 19538 7758 1 14 . 1 1 13 13 ARG HA H 13 3.914 3.914 4.138 -0.224 19538 7759 1 14 . 1 1 13 13 ARG CA C 13 58.623 58.623 59.654 -1.032 19538 7760 1 14 . 1 1 13 13 ARG CB C 13 31.719 31.719 30.421 1.298 19538 7761 1 14 . 1 1 13 13 ARG H H 13 8.006 8.006 8.726 -0.720 19538 7762 1 14 . 1 1 14 14 ALA N N 14 122.749 122.749 122.749 0.000 19538 7763 1 14 . 1 1 14 14 ALA HA H 14 3.938 3.938 3.945 -0.007 19538 7764 1 14 . 1 1 14 14 ALA CA C 14 54.976 54.976 55.059 -0.083 19538 7765 1 14 . 1 1 14 14 ALA CB C 14 19.446 19.446 18.730 0.716 19538 7766 1 14 . 1 1 14 14 ALA H H 14 8.163 8.163 8.665 -0.502 19538 7767 1 14 . 1 1 15 15 VAL N N 15 118.460 118.460 119.175 -0.715 19538 7768 1 14 . 1 1 15 15 VAL HA H 15 3.219 3.219 3.672 -0.453 19538 7769 1 14 . 1 1 15 15 VAL CA C 15 66.611 66.611 64.965 1.646 19538 7770 1 14 . 1 1 15 15 VAL CB C 15 30.889 30.889 30.778 0.111 19538 7771 1 14 . 1 1 15 15 VAL H H 15 8.718 8.718 8.397 0.321 19538 7772 1 14 . 1 1 16 16 SER N N 16 113.102 113.102 116.323 -3.221 19538 7773 1 14 . 1 1 16 16 SER HA H 16 4.144 4.144 4.094 0.050 19538 7774 1 14 . 1 1 16 16 SER CA C 16 60.888 60.888 61.975 -1.087 19538 7775 1 14 . 1 1 16 16 SER CB C 16 62.503 62.503 62.554 -0.051 19538 7776 1 14 . 1 1 16 16 SER H H 16 7.243 7.243 8.265 -1.022 19538 7777 1 14 . 1 1 17 17 MET N N 17 117.447 117.447 121.026 -3.579 19538 7778 1 14 . 1 1 17 17 MET HA H 17 3.875 3.875 4.146 -0.271 19538 7779 1 14 . 1 1 17 17 MET CA C 17 58.575 58.575 58.624 -0.049 19538 7780 1 14 . 1 1 17 17 MET CB C 17 33.489 33.489 32.747 0.742 19538 7781 1 14 . 1 1 17 17 MET H H 17 7.232 7.232 7.480 -0.248 19538 7782 1 14 . 1 1 18 18 VAL N N 18 117.842 117.842 115.716 2.126 19538 7783 1 14 . 1 1 18 18 VAL HA H 18 3.357 3.357 3.734 -0.377 19538 7784 1 14 . 1 1 18 18 VAL CA C 18 66.065 66.065 65.856 0.209 19538 7785 1 14 . 1 1 18 18 VAL CB C 18 31.686 31.686 31.361 0.325 19538 7786 1 14 . 1 1 18 18 VAL H H 18 7.678 7.678 7.854 -0.176 19538 7787 1 14 . 1 1 19 19 GLU N N 19 113.150 113.150 119.397 -6.247 19538 7788 1 14 . 1 1 19 19 GLU HA H 19 3.618 3.618 3.983 -0.365 19538 7789 1 14 . 1 1 19 19 GLU CA C 19 58.198 58.198 59.368 -1.170 19538 7790 1 14 . 1 1 19 19 GLU CB C 19 29.786 29.786 29.684 0.102 19538 7791 1 14 . 1 1 19 19 GLU H H 19 8.378 8.378 8.297 0.081 19538 7792 1 14 . 1 1 20 20 LYS N N 20 114.076 114.076 113.318 0.758 19538 7793 1 14 . 1 1 20 20 LYS HA H 20 4.243 4.243 4.368 -0.125 19538 7794 1 14 . 1 1 20 20 LYS CA C 20 55.725 55.725 54.754 0.971 19538 7795 1 14 . 1 1 20 20 LYS CB C 20 33.032 33.032 32.522 0.510 19538 7796 1 14 . 1 1 20 20 LYS H H 20 7.072 7.072 7.559 -0.487 19538 7797 1 14 . 1 1 21 21 ASN N N 21 121.025 121.025 121.693 -0.668 19538 7798 1 14 . 1 1 21 21 ASN HA H 21 4.555 4.555 4.550 0.005 19538 7799 1 14 . 1 1 21 21 ASN CA C 21 53.766 53.766 52.873 0.893 19538 7800 1 14 . 1 1 21 21 ASN CB C 21 39.835 39.835 38.591 1.244 19538 7801 1 14 . 1 1 21 21 ASN H H 21 7.230 7.230 7.529 -0.299 19538 7802 1 14 . 1 1 22 22 LYS N N 22 128.112 128.112 127.826 0.286 19538 7803 1 14 . 1 1 22 22 LYS HA H 22 3.698 3.698 3.830 -0.132 19538 7804 1 14 . 1 1 22 22 LYS CA C 22 59.519 59.519 59.546 -0.027 19538 7805 1 14 . 1 1 22 22 LYS CB C 22 32.140 32.140 31.167 0.973 19538 7806 1 14 . 1 1 22 22 LYS H H 22 8.846 8.846 8.696 0.150 19538 7807 1 14 . 1 1 23 23 ASP N N 23 120.250 120.250 119.936 0.314 19538 7808 1 14 . 1 1 23 23 ASP HA H 23 4.297 4.297 4.316 -0.019 19538 7809 1 14 . 1 1 23 23 ASP CA C 23 56.787 56.787 57.536 -0.749 19538 7810 1 14 . 1 1 23 23 ASP CB C 23 39.444 39.444 40.540 -1.096 19538 7811 1 14 . 1 1 23 23 ASP H H 23 7.731 7.731 8.674 -0.943 19538 7812 1 14 . 1 1 24 24 ILE N N 24 121.988 121.988 120.558 1.430 19538 7813 1 14 . 1 1 24 24 ILE HA H 24 3.219 3.219 3.404 -0.185 19538 7814 1 14 . 1 1 24 24 ILE CA C 24 63.375 63.375 65.113 -1.738 19538 7815 1 14 . 1 1 24 24 ILE CB C 24 35.424 35.424 37.702 -2.278 19538 7816 1 14 . 1 1 24 24 ILE H H 24 8.431 8.431 7.340 1.091 19538 7817 1 14 . 1 1 25 25 ARG N N 25 118.181 118.181 120.253 -2.072 19538 7818 1 14 . 1 1 25 25 ARG HA H 25 3.810 3.810 3.877 -0.067 19538 7819 1 14 . 1 1 25 25 ARG CA C 25 60.546 60.546 60.395 0.151 19538 7820 1 14 . 1 1 25 25 ARG CB C 25 30.205 30.205 29.946 0.259 19538 7821 1 14 . 1 1 25 25 ARG H H 25 8.206 8.206 8.857 -0.651 19538 7822 1 14 . 1 1 26 26 SER N N 26 112.549 112.549 115.363 -2.814 19538 7823 1 14 . 1 1 26 26 SER HA H 26 4.373 4.373 4.165 0.208 19538 7824 1 14 . 1 1 26 26 SER CA C 26 61.040 61.040 62.212 -1.172 19538 7825 1 14 . 1 1 26 26 SER CB C 26 62.096 62.096 62.849 -0.753 19538 7826 1 14 . 1 1 26 26 SER H H 26 7.518 7.518 8.156 -0.638 19538 7827 1 14 . 1 1 27 27 LEU N N 27 125.275 125.275 122.205 3.070 19538 7828 1 14 . 1 1 27 27 LEU HA H 27 4.013 4.013 4.017 -0.004 19538 7829 1 14 . 1 1 27 27 LEU CA C 27 57.652 57.652 57.762 -0.110 19538 7830 1 14 . 1 1 27 27 LEU CB C 27 42.548 42.548 42.042 0.506 19538 7831 1 14 . 1 1 27 27 LEU H H 27 8.050 8.050 7.781 0.269 19538 7832 1 14 . 1 1 28 28 LEU N N 28 114.725 114.725 114.649 0.076 19538 7833 1 14 . 1 1 28 28 LEU HA H 28 3.863 3.863 4.234 -0.371 19538 7834 1 14 . 1 1 28 28 LEU CA C 28 54.299 54.299 54.705 -0.406 19538 7835 1 14 . 1 1 28 28 LEU CB C 28 42.874 42.874 41.654 1.220 19538 7836 1 14 . 1 1 28 28 LEU H H 28 8.010 8.010 8.612 -0.602 19538 7837 1 14 . 1 1 29 29 GLN N N 29 116.444 116.444 114.032 2.412 19538 7838 1 14 . 1 1 29 29 GLN HA H 29 3.854 3.854 3.941 -0.087 19538 7839 1 14 . 1 1 29 29 GLN CA C 29 55.652 55.652 56.301 -0.649 19538 7840 1 14 . 1 1 29 29 GLN CB C 29 25.300 25.300 25.203 0.097 19538 7841 1 14 . 1 1 29 29 GLN H H 29 7.972 7.972 7.821 0.151 19538 7842 1 14 . 1 1 30 30 CYS N N 30 116.363 116.363 120.248 -3.885 19538 7843 1 14 . 1 1 30 30 CYS HA H 30 4.133 4.133 4.107 0.026 19538 7844 1 14 . 1 1 30 30 CYS CA C 30 61.559 61.559 59.876 1.683 19538 7845 1 14 . 1 1 30 30 CYS CB C 30 27.701 27.701 25.944 1.757 19538 7846 1 14 . 1 1 30 30 CYS H H 30 7.847 7.847 8.469 -0.622 19538 7847 1 14 . 1 1 31 31 ASP N N 31 125.091 125.091 125.036 0.055 19538 7848 1 14 . 1 1 31 31 ASP HA H 31 4.598 4.598 4.683 -0.085 19538 7849 1 14 . 1 1 31 31 ASP CA C 31 52.428 52.428 54.475 -2.047 19538 7850 1 14 . 1 1 31 31 ASP CB C 31 39.156 39.156 41.953 -2.797 19538 7851 1 14 . 1 1 31 31 ASP H H 31 9.918 9.918 8.691 1.227 19538 7852 1 14 . 1 1 32 32 ASP N N 32 124.593 124.593 121.119 3.474 19538 7853 1 14 . 1 1 32 32 ASP HA H 32 5.131 5.131 4.989 0.142 19538 7854 1 14 . 1 1 32 32 ASP CA C 32 52.190 52.190 53.352 -1.162 19538 7855 1 14 . 1 1 32 32 ASP CB C 32 41.542 41.542 43.882 -2.340 19538 7856 1 14 . 1 1 32 32 ASP H H 32 7.532 7.532 8.368 -0.836 19538 7857 1 14 . 1 1 33 33 GLY N N 33 109.888 109.888 113.254 -3.366 19538 7858 1 14 . 1 1 33 33 GLY CA C 33 44.840 44.840 45.637 -0.797 19538 7859 1 14 . 1 1 33 33 GLY H H 33 7.912 7.912 9.152 -1.240 19538 7860 1 14 . 1 1 34 34 ILE HA H 34 3.978 3.978 4.137 -0.159 19538 7861 1 14 . 1 1 34 34 ILE CA C 34 63.210 63.210 63.301 -0.091 19538 7862 1 14 . 1 1 34 34 ILE CB C 34 38.027 38.027 38.017 0.010 19538 7863 1 14 . 1 1 35 35 THR N N 35 109.823 109.823 111.994 -2.171 19538 7864 1 14 . 1 1 35 35 THR HA H 35 4.291 4.291 4.543 -0.252 19538 7865 1 14 . 1 1 35 35 THR CA C 35 61.511 61.511 60.635 0.876 19538 7866 1 14 . 1 1 35 35 THR CB C 35 68.374 68.374 68.842 -0.468 19538 7867 1 14 . 1 1 35 35 THR H H 35 7.995 7.995 7.966 0.029 19538 7868 1 14 . 1 1 36 36 GLY N N 36 109.916 109.916 109.684 0.232 19538 7869 1 14 . 1 1 36 36 GLY CA C 36 44.282 44.282 44.786 -0.504 19538 7870 1 14 . 1 1 36 36 GLY H H 36 7.564 7.564 7.357 0.207 19538 7871 1 14 . 1 1 37 37 LYS N N 37 119.833 119.833 121.074 -1.241 19538 7872 1 14 . 1 1 37 37 LYS HA H 37 4.442 4.442 4.788 -0.346 19538 7873 1 14 . 1 1 37 37 LYS CA C 37 54.520 54.520 55.388 -0.868 19538 7874 1 14 . 1 1 37 37 LYS CB C 37 33.208 33.208 34.161 -0.953 19538 7875 1 14 . 1 1 37 37 LYS H H 37 8.236 8.236 8.386 -0.150 19538 7876 1 14 . 1 1 38 38 GLU N N 38 125.697 125.697 123.174 2.523 19538 7877 1 14 . 1 1 38 38 GLU HA H 38 3.907 3.907 4.372 -0.465 19538 7878 1 14 . 1 1 38 38 GLU CA C 38 56.731 56.731 55.980 0.751 19538 7879 1 14 . 1 1 38 38 GLU CB C 38 29.779 29.779 31.501 -1.722 19538 7880 1 14 . 1 1 38 38 GLU H H 38 8.175 8.175 8.728 -0.553 19538 7881 1 14 . 1 1 39 39 ARG N N 39 128.738 128.738 121.492 7.246 19538 7882 1 14 . 1 1 39 39 ARG HA H 39 4.260 4.260 4.523 -0.263 19538 7883 1 14 . 1 1 39 39 ARG CA C 39 55.343 55.343 54.830 0.513 19538 7884 1 14 . 1 1 39 39 ARG CB C 39 29.529 29.529 31.043 -1.514 19538 7885 1 14 . 1 1 39 39 ARG H H 39 8.920 8.920 8.578 0.342 19538 7886 1 14 . 1 1 40 40 LEU N N 40 127.659 127.659 124.844 2.815 19538 7887 1 14 . 1 1 40 40 LEU HA H 40 4.488 4.488 4.619 -0.131 19538 7888 1 14 . 1 1 40 40 LEU CA C 40 53.848 53.848 55.198 -1.350 19538 7889 1 14 . 1 1 40 40 LEU CB C 40 42.333 42.333 42.492 -0.159 19538 7890 1 14 . 1 1 40 40 LEU H H 40 8.670 8.670 8.502 0.168 19538 7891 1 14 . 1 1 41 41 LYS N N 41 121.136 121.136 123.133 -1.997 19538 7892 1 14 . 1 1 41 41 LYS HA H 41 4.647 4.647 4.700 -0.053 19538 7893 1 14 . 1 1 41 41 LYS CA C 41 55.062 55.062 54.756 0.306 19538 7894 1 14 . 1 1 41 41 LYS CB C 41 35.064 35.064 36.766 -1.702 19538 7895 1 14 . 1 1 41 41 LYS H H 41 8.273 8.273 8.241 0.032 19538 7896 1 14 . 1 1 42 42 ALA N N 42 123.758 123.758 124.949 -1.191 19538 7897 1 14 . 1 1 42 42 ALA HA H 42 5.605 5.605 5.242 0.363 19538 7898 1 14 . 1 1 42 42 ALA CA C 42 50.529 50.529 50.975 -0.446 19538 7899 1 14 . 1 1 42 42 ALA CB C 42 22.577 22.577 21.969 0.608 19538 7900 1 14 . 1 1 42 42 ALA H H 42 8.488 8.488 8.466 0.022 19538 7901 1 14 . 1 1 43 43 TYR N N 43 116.716 116.716 119.749 -3.033 19538 7902 1 14 . 1 1 43 43 TYR HA H 43 4.758 4.758 4.850 -0.092 19538 7903 1 14 . 1 1 43 43 TYR CA C 43 55.975 55.975 55.900 0.075 19538 7904 1 14 . 1 1 43 43 TYR CB C 43 38.409 38.409 39.519 -1.110 19538 7905 1 14 . 1 1 43 43 TYR H H 43 8.123 8.123 9.075 -0.952 19538 7906 1 14 . 1 1 44 44 GLY N N 44 106.591 106.591 106.859 -0.268 19538 7907 1 14 . 1 1 44 44 GLY CA C 44 45.172 45.172 44.758 0.414 19538 7908 1 14 . 1 1 44 44 GLY H H 44 8.663 8.663 8.696 -0.033 19538 7909 1 14 . 1 1 45 45 GLU N N 45 118.850 118.850 123.645 -4.795 19538 7910 1 14 . 1 1 45 45 GLU HA H 45 4.310 4.310 3.911 0.399 19538 7911 1 14 . 1 1 45 45 GLU CA C 45 56.286 56.286 57.167 -0.881 19538 7912 1 14 . 1 1 45 45 GLU CB C 45 31.304 31.304 28.536 2.768 19538 7913 1 14 . 1 1 45 45 GLU H H 45 8.287 8.287 8.659 -0.372 19538 7914 1 14 . 1 1 46 46 LEU N N 46 124.692 124.692 124.549 0.143 19538 7915 1 14 . 1 1 46 46 LEU HA H 46 4.361 4.361 3.816 0.545 19538 7916 1 14 . 1 1 46 46 LEU CA C 46 54.967 54.967 57.767 -2.800 19538 7917 1 14 . 1 1 46 46 LEU CB C 46 41.980 41.980 41.129 0.851 19538 7918 1 14 . 1 1 46 46 LEU H H 46 9.010 9.010 8.596 0.414 19538 7919 1 14 . 1 1 47 47 ILE N N 47 123.302 123.302 115.119 8.183 19538 7920 1 14 . 1 1 47 47 ILE HA H 47 4.272 4.272 3.733 0.539 19538 7921 1 14 . 1 1 47 47 ILE CA C 47 60.399 60.399 64.065 -3.666 19538 7922 1 14 . 1 1 47 47 ILE CB C 47 38.676 38.676 35.958 2.718 19538 7923 1 14 . 1 1 47 47 ILE H H 47 8.407 8.407 8.067 0.340 19538 7924 1 14 . 1 1 48 48 THR N N 48 117.749 117.749 116.931 0.818 19538 7925 1 14 . 1 1 48 48 THR HA H 48 4.330 4.330 3.831 0.499 19538 7926 1 14 . 1 1 48 48 THR CA C 48 61.234 61.234 66.763 -5.529 19538 7927 1 14 . 1 1 48 48 THR CB C 48 69.327 69.327 68.487 0.840 19538 7928 1 14 . 1 1 48 48 THR H H 48 8.183 8.183 7.439 0.744 19538 7929 1 14 . 1 1 49 49 ASN N N 49 120.102 120.102 117.571 2.531 19538 7930 1 14 . 1 1 49 49 ASN HA H 49 4.585 4.585 4.462 0.123 19538 7931 1 14 . 1 1 49 49 ASN CA C 49 53.193 53.193 53.931 -0.738 19538 7932 1 14 . 1 1 49 49 ASN CB C 49 38.261 38.261 38.047 0.214 19538 7933 1 14 . 1 1 49 49 ASN H H 49 8.418 8.418 8.097 0.321 19538 7934 1 14 . 1 1 50 50 ASP N N 50 119.783 119.783 120.093 -0.310 19538 7935 1 14 . 1 1 50 50 ASP HA H 50 4.454 4.454 4.318 0.136 19538 7936 1 14 . 1 1 50 50 ASP CA C 50 53.950 53.950 56.433 -2.483 19538 7937 1 14 . 1 1 50 50 ASP CB C 50 41.231 41.231 40.467 0.764 19538 7938 1 14 . 1 1 50 50 ASP H H 50 8.096 8.096 7.790 0.306 19538 7939 1 14 . 1 1 51 51 LYS N N 51 120.547 120.547 117.394 3.153 19538 7940 1 14 . 1 1 51 51 LYS HA H 51 4.017 4.017 4.504 -0.487 19538 7941 1 14 . 1 1 51 51 LYS CA C 51 56.633 56.633 56.964 -0.331 19538 7942 1 14 . 1 1 51 51 LYS CB C 51 32.052 32.052 33.986 -1.934 19538 7943 1 14 . 1 1 51 51 LYS H H 51 8.173 8.173 7.920 0.253 19538 7944 1 14 . 1 1 52 52 TRP N N 52 120.062 120.062 117.249 2.813 19538 7945 1 14 . 1 1 52 52 TRP HA H 52 4.617 4.617 5.054 -0.437 19538 7946 1 14 . 1 1 52 52 TRP CA C 52 57.045 57.045 56.001 1.044 19538 7947 1 14 . 1 1 52 52 TRP CB C 52 29.251 29.251 29.563 -0.312 19538 7948 1 14 . 1 1 52 52 TRP H H 52 8.094 8.094 7.671 0.423 19538 7949 1 14 . 1 1 53 53 THR N N 53 115.770 115.770 116.441 -0.671 19538 7950 1 14 . 1 1 53 53 THR HA H 53 4.262 4.262 3.179 1.083 19538 7951 1 14 . 1 1 53 53 THR CA C 53 61.625 61.625 64.350 -2.725 19538 7952 1 14 . 1 1 53 53 THR CB C 53 69.153 69.153 68.195 0.958 19538 7953 1 14 . 1 1 53 53 THR H H 53 7.789 7.789 7.026 0.763 19538 7954 1 14 . 1 1 54 54 ARG N N 54 122.136 122.136 121.241 0.895 19538 7955 1 14 . 1 1 54 54 ARG HA H 54 4.133 4.133 3.710 0.423 19538 7956 1 14 . 1 1 54 54 ARG CA C 54 56.038 56.038 57.722 -1.685 19538 7957 1 14 . 1 1 54 54 ARG CB C 54 30.441 30.441 28.774 1.667 19538 7958 1 14 . 1 1 54 54 ARG H H 54 8.191 8.191 8.335 -0.144 19538 7959 1 14 . 1 1 55 55 ASN N N 55 117.842 117.842 116.898 0.944 19538 7960 1 14 . 1 1 55 55 ASN HA H 55 4.713 4.713 4.399 0.314 19538 7961 1 14 . 1 1 55 55 ASN CA C 55 52.873 52.873 55.606 -2.733 19538 7962 1 14 . 1 1 55 55 ASN CB C 55 38.769 38.769 38.743 0.026 19538 7963 1 14 . 1 1 55 55 ASN H H 55 8.205 8.205 8.503 -0.298 19538 7964 1 14 . 1 1 56 56 ARG N N 56 121.615 121.615 118.947 2.668 19538 7965 1 14 . 1 1 56 56 ARG HA H 56 4.542 4.542 4.927 -0.385 19538 7966 1 14 . 1 1 56 56 ARG CA C 56 53.765 53.765 53.157 0.608 19538 7967 1 14 . 1 1 56 56 ARG CB C 56 30.009 30.009 30.936 -0.927 19538 7968 1 14 . 1 1 56 56 ARG H H 56 8.246 8.246 7.875 0.371 19538 7969 1 14 . 1 1 57 57 PRO HA H 57 4.273 4.273 4.547 -0.274 19538 7970 1 14 . 1 1 57 57 PRO CA C 57 62.424 62.424 61.472 0.952 19538 7971 1 14 . 1 1 57 57 PRO CB C 57 31.987 31.987 32.645 -0.658 19538 7972 1 14 . 1 1 58 58 ILE N N 58 122.700 122.700 119.981 2.719 19538 7973 1 14 . 1 1 58 58 ILE HA H 58 4.089 4.089 4.078 0.011 19538 7974 1 14 . 1 1 58 58 ILE CA C 58 60.655 60.655 62.426 -1.771 19538 7975 1 14 . 1 1 58 58 ILE CB C 58 37.111 37.111 36.087 1.024 19538 7976 1 14 . 1 1 58 58 ILE H H 58 8.098 8.098 8.255 -0.157 19538 7977 1 14 . 1 1 59 59 VAL N N 59 124.097 124.097 119.010 5.087 19538 7978 1 14 . 1 1 59 59 VAL HA H 59 4.549 4.549 4.602 -0.053 19538 7979 1 14 . 1 1 59 59 VAL CA C 59 59.613 59.613 59.203 0.410 19538 7980 1 14 . 1 1 59 59 VAL CB C 59 34.980 34.980 35.028 -0.048 19538 7981 1 14 . 1 1 59 59 VAL H H 59 8.167 8.167 8.686 -0.519 19538 7982 1 14 . 1 1 60 60 SER N N 60 119.752 119.752 117.429 2.323 19538 7983 1 14 . 1 1 60 60 SER HA H 60 5.136 5.136 5.162 -0.026 19538 7984 1 14 . 1 1 60 60 SER CA C 60 56.467 56.467 56.970 -0.503 19538 7985 1 14 . 1 1 60 60 SER CB C 60 64.890 64.890 63.596 1.294 19538 7986 1 14 . 1 1 60 60 SER H H 60 8.592 8.592 8.534 0.058 19538 7987 1 14 . 1 1 61 61 THR N N 61 117.559 117.559 118.854 -1.295 19538 7988 1 14 . 1 1 61 61 THR HA H 61 4.576 4.576 4.259 0.317 19538 7989 1 14 . 1 1 61 61 THR CA C 61 61.348 61.348 61.924 -0.576 19538 7990 1 14 . 1 1 61 61 THR CB C 61 70.276 70.276 68.914 1.362 19538 7991 1 14 . 1 1 61 61 THR H H 61 9.214 9.214 8.683 0.531 19538 7992 1 14 . 1 1 62 62 LYS N N 62 123.743 123.743 126.193 -2.450 19538 7993 1 14 . 1 1 62 62 LYS HA H 62 5.507 5.507 4.748 0.759 19538 7994 1 14 . 1 1 62 62 LYS CA C 62 54.843 54.843 56.894 -2.051 19538 7995 1 14 . 1 1 62 62 LYS CB C 62 35.211 35.211 33.201 2.010 19538 7996 1 14 . 1 1 62 62 LYS H H 62 8.687 8.687 8.205 0.482 19538 7997 1 14 . 1 1 63 63 LYS N N 63 121.218 121.218 122.396 -1.178 19538 7998 1 14 . 1 1 63 63 LYS HA H 63 4.595 4.595 4.630 -0.035 19538 7999 1 14 . 1 1 63 63 LYS CA C 63 54.760 54.760 54.792 -0.032 19538 8000 1 14 . 1 1 63 63 LYS CB C 63 36.712 36.712 36.030 0.682 19538 8001 1 14 . 1 1 63 63 LYS H H 63 8.797 8.797 8.682 0.115 19538 8002 1 14 . 1 1 64 64 LEU N N 64 124.605 124.605 124.855 -0.250 19538 8003 1 14 . 1 1 64 64 LEU HA H 64 4.920 4.920 4.815 0.105 19538 8004 1 14 . 1 1 64 64 LEU CA C 64 53.797 53.797 53.591 0.206 19538 8005 1 14 . 1 1 64 64 LEU CB C 64 43.553 43.553 41.701 1.852 19538 8006 1 14 . 1 1 64 64 LEU H H 64 8.604 8.604 8.666 -0.062 19538 8007 1 14 . 1 1 65 65 ASP N N 65 122.577 122.577 127.662 -5.085 19538 8008 1 14 . 1 1 65 65 ASP HA H 65 4.664 4.664 4.815 -0.151 19538 8009 1 14 . 1 1 65 65 ASP CA C 65 51.824 51.824 53.356 -1.532 19538 8010 1 14 . 1 1 65 65 ASP CB C 65 41.277 41.277 42.849 -1.573 19538 8011 1 14 . 1 1 65 65 ASP H H 65 8.455 8.455 9.268 -0.813 19538 8012 1 14 . 1 1 66 66 LYS N N 66 117.718 117.718 123.403 -5.685 19538 8013 1 14 . 1 1 66 66 LYS HA H 66 4.052 4.052 3.875 0.177 19538 8014 1 14 . 1 1 66 66 LYS CA C 66 58.116 58.116 59.402 -1.286 19538 8015 1 14 . 1 1 66 66 LYS CB C 66 31.677 31.677 31.287 0.390 19538 8016 1 14 . 1 1 66 66 LYS H H 66 8.339 8.339 8.826 -0.487 19538 8017 1 14 . 1 1 67 67 GLU N N 67 118.253 118.253 118.428 -0.175 19538 8018 1 14 . 1 1 67 67 GLU HA H 67 4.323 4.323 4.228 0.095 19538 8019 1 14 . 1 1 67 67 GLU CA C 67 56.018 56.018 56.606 -0.588 19538 8020 1 14 . 1 1 67 67 GLU CB C 67 29.587 29.587 29.925 -0.338 19538 8021 1 14 . 1 1 67 67 GLU H H 67 8.096 8.096 8.262 -0.166 19538 8022 1 14 . 1 1 68 68 GLY N N 68 107.960 107.960 106.885 1.075 19538 8023 1 14 . 1 1 68 68 GLY CA C 68 45.213 45.213 44.957 0.256 19538 8024 1 14 . 1 1 68 68 GLY H H 68 8.168 8.168 8.647 -0.479 19538 8025 1 14 . 1 1 69 69 ARG N N 69 121.436 121.436 119.337 2.099 19538 8026 1 14 . 1 1 69 69 ARG HA H 69 4.482 4.482 5.132 -0.650 19538 8027 1 14 . 1 1 69 69 ARG CA C 69 54.229 54.229 53.098 1.131 19538 8028 1 14 . 1 1 69 69 ARG CB C 69 30.399 30.399 33.578 -3.179 19538 8029 1 14 . 1 1 69 69 ARG H H 69 8.590 8.590 7.669 0.921 19538 8030 1 14 . 1 1 70 70 THR N N 70 120.709 120.709 119.932 0.777 19538 8031 1 14 . 1 1 70 70 THR HA H 70 4.298 4.298 5.019 -0.721 19538 8032 1 14 . 1 1 70 70 THR CA C 70 64.365 64.365 62.693 1.672 19538 8033 1 14 . 1 1 70 70 THR CB C 70 68.832 68.832 69.354 -0.522 19538 8034 1 14 . 1 1 70 70 THR H H 70 8.822 8.822 8.327 0.495 19538 8035 1 14 . 1 1 71 71 HIS N N 71 127.496 127.496 127.493 0.003 19538 8036 1 14 . 1 1 71 71 HIS HA H 71 5.138 5.138 4.737 0.401 19538 8037 1 14 . 1 1 71 71 HIS CA C 71 53.948 53.948 55.576 -1.628 19538 8038 1 14 . 1 1 71 71 HIS CB C 71 31.791 31.791 31.395 0.396 19538 8039 1 14 . 1 1 71 71 HIS H H 71 9.384 9.384 9.654 -0.270 19538 8040 1 14 . 1 1 72 72 HIS N N 72 121.684 121.684 127.211 -5.527 19538 8041 1 14 . 1 1 72 72 HIS HA H 72 5.094 5.094 4.752 0.342 19538 8042 1 14 . 1 1 72 72 HIS CA C 72 54.390 54.390 55.237 -0.847 19538 8043 1 14 . 1 1 72 72 HIS CB C 72 33.961 33.961 31.321 2.640 19538 8044 1 14 . 1 1 72 72 HIS H H 72 9.076 9.076 9.435 -0.359 19538 8045 1 14 . 1 1 73 73 TYR N N 73 121.287 121.287 124.837 -3.550 19538 8046 1 14 . 1 1 73 73 TYR HA H 73 5.305 5.305 4.897 0.408 19538 8047 1 14 . 1 1 73 73 TYR CA C 73 56.017 56.017 57.295 -1.278 19538 8048 1 14 . 1 1 73 73 TYR CB C 73 39.479 39.479 38.596 0.883 19538 8049 1 14 . 1 1 73 73 TYR H H 73 9.305 9.305 9.217 0.088 19538 8050 1 14 . 1 1 74 74 MET N N 74 124.078 124.078 124.820 -0.742 19538 8051 1 14 . 1 1 74 74 MET HA H 74 4.867 4.867 5.449 -0.582 19538 8052 1 14 . 1 1 74 74 MET CA C 74 54.701 54.701 54.515 0.186 19538 8053 1 14 . 1 1 74 74 MET CB C 74 38.007 38.007 36.554 1.453 19538 8054 1 14 . 1 1 74 74 MET H H 74 8.761 8.761 8.932 -0.171 19538 8055 1 14 . 1 1 75 75 ARG N N 75 123.962 123.962 124.696 -0.734 19538 8056 1 14 . 1 1 75 75 ARG HA H 75 5.471 5.471 5.358 0.113 19538 8057 1 14 . 1 1 75 75 ARG CA C 75 53.340 53.340 54.651 -1.312 19538 8058 1 14 . 1 1 75 75 ARG CB C 75 34.441 34.441 33.678 0.763 19538 8059 1 14 . 1 1 75 75 ARG H H 75 8.427 8.427 8.554 -0.127 19538 8060 1 14 . 1 1 76 76 PHE N N 76 114.935 114.935 116.384 -1.449 19538 8061 1 14 . 1 1 76 76 PHE HA H 76 4.621 4.621 5.099 -0.478 19538 8062 1 14 . 1 1 76 76 PHE CA C 76 55.856 55.856 56.566 -0.710 19538 8063 1 14 . 1 1 76 76 PHE CB C 76 39.167 39.167 41.287 -2.120 19538 8064 1 14 . 1 1 76 76 PHE H H 76 8.296 8.296 8.774 -0.478 19538 8065 1 14 . 1 1 77 77 HIS N N 77 117.830 117.830 118.590 -0.760 19538 8066 1 14 . 1 1 77 77 HIS HA H 77 5.451 5.451 5.637 -0.186 19538 8067 1 14 . 1 1 77 77 HIS CA C 77 54.767 54.767 55.677 -0.910 19538 8068 1 14 . 1 1 77 77 HIS CB C 77 31.102 31.102 32.748 -1.646 19538 8069 1 14 . 1 1 77 77 HIS H H 77 9.190 9.190 9.603 -0.413 19538 8070 1 14 . 1 1 78 78 VAL N N 78 114.372 114.372 117.880 -3.508 19538 8071 1 14 . 1 1 78 78 VAL HA H 78 5.110 5.110 5.086 0.024 19538 8072 1 14 . 1 1 78 78 VAL CA C 78 59.653 59.653 59.117 0.536 19538 8073 1 14 . 1 1 78 78 VAL CB C 78 35.073 35.073 35.700 -0.627 19538 8074 1 14 . 1 1 78 78 VAL H H 78 7.860 7.860 9.322 -1.462 19538 8075 1 14 . 1 1 79 79 GLU N N 79 126.076 126.076 124.276 1.800 19538 8076 1 14 . 1 1 79 79 GLU HA H 79 5.400 5.400 4.864 0.536 19538 8077 1 14 . 1 1 79 79 GLU CA C 79 54.316 54.316 55.401 -1.085 19538 8078 1 14 . 1 1 79 79 GLU CB C 79 34.060 34.060 31.424 2.636 19538 8079 1 14 . 1 1 79 79 GLU H H 79 9.213 9.213 9.298 -0.085 19538 8080 1 14 . 1 1 80 80 SER N N 80 124.627 124.627 123.707 0.920 19538 8081 1 14 . 1 1 80 80 SER HA H 80 4.892 4.892 4.475 0.417 19538 8082 1 14 . 1 1 80 80 SER CA C 80 54.930 54.930 58.025 -3.095 19538 8083 1 14 . 1 1 80 80 SER CB C 80 67.503 67.503 63.758 3.745 19538 8084 1 14 . 1 1 80 80 SER H H 80 9.464 9.464 9.295 0.169 19538 8085 1 14 . 1 1 81 81 LYS N N 81 119.240 119.240 119.796 -0.556 19538 8086 1 14 . 1 1 81 81 LYS HA H 81 4.000 4.000 4.135 -0.135 19538 8087 1 14 . 1 1 81 81 LYS CA C 81 59.099 59.099 58.594 0.505 19538 8088 1 14 . 1 1 81 81 LYS CB C 81 31.721 31.721 32.555 -0.834 19538 8089 1 14 . 1 1 81 81 LYS H H 81 10.052 10.052 8.270 1.782 19538 8090 1 14 . 1 1 82 82 LYS N N 82 114.688 114.688 114.218 0.470 19538 8091 1 14 . 1 1 82 82 LYS HA H 82 4.365 4.365 4.458 -0.093 19538 8092 1 14 . 1 1 82 82 LYS CA C 82 56.211 56.211 55.659 0.552 19538 8093 1 14 . 1 1 82 82 LYS CB C 82 36.484 36.484 34.381 2.103 19538 8094 1 14 . 1 1 82 82 LYS H H 82 7.782 7.782 7.799 -0.017 19538 8095 1 14 . 1 1 83 83 LYS N N 83 118.992 118.992 118.877 0.115 19538 8096 1 14 . 1 1 83 83 LYS HA H 83 4.749 4.749 4.689 0.060 19538 8097 1 14 . 1 1 83 83 LYS CA C 83 53.590 53.590 54.512 -0.922 19538 8098 1 14 . 1 1 83 83 LYS CB C 83 39.218 39.218 36.349 2.869 19538 8099 1 14 . 1 1 83 83 LYS H H 83 7.962 7.962 7.775 0.187 19538 8100 1 14 . 1 1 84 84 ILE N N 84 118.513 118.513 120.747 -2.234 19538 8101 1 14 . 1 1 84 84 ILE HA H 84 4.556 4.556 4.830 -0.274 19538 8102 1 14 . 1 1 84 84 ILE CA C 84 60.643 60.643 60.440 0.203 19538 8103 1 14 . 1 1 84 84 ILE CB C 84 39.946 39.946 39.038 0.908 19538 8104 1 14 . 1 1 84 84 ILE H H 84 7.927 7.927 8.584 -0.657 19538 8105 1 14 . 1 1 85 85 ALA N N 85 127.327 127.327 130.301 -2.974 19538 8106 1 14 . 1 1 85 85 ALA HA H 85 5.048 5.048 5.056 -0.008 19538 8107 1 14 . 1 1 85 85 ALA CA C 85 49.316 49.316 49.829 -0.513 19538 8108 1 14 . 1 1 85 85 ALA CB C 85 24.205 24.205 22.490 1.715 19538 8109 1 14 . 1 1 85 85 ALA H H 85 9.211 9.211 9.181 0.030 19538 8110 1 14 . 1 1 86 86 LEU N N 86 122.978 122.978 122.705 0.273 19538 8111 1 14 . 1 1 86 86 LEU HA H 86 4.554 4.554 4.417 0.137 19538 8112 1 14 . 1 1 86 86 LEU CA C 86 53.671 53.671 53.197 0.474 19538 8113 1 14 . 1 1 86 86 LEU CB C 86 44.396 44.396 44.882 -0.486 19538 8114 1 14 . 1 1 86 86 LEU H H 86 8.312 8.312 9.019 -0.707 19538 8115 1 14 . 1 1 87 87 VAL N N 87 127.511 127.511 126.991 0.520 19538 8116 1 14 . 1 1 87 87 VAL HA H 87 4.244 4.244 4.505 -0.261 19538 8117 1 14 . 1 1 87 87 VAL CA C 87 60.226 60.226 60.393 -0.167 19538 8118 1 14 . 1 1 87 87 VAL CB C 87 31.609 31.609 33.376 -1.767 19538 8119 1 14 . 1 1 87 87 VAL H H 87 9.017 9.017 9.014 0.003 19538 8120 1 14 . 1 1 88 88 HIS N N 88 124.227 124.227 127.197 -2.970 19538 8121 1 14 . 1 1 88 88 HIS HA H 88 4.687 4.687 4.790 -0.103 19538 8122 1 14 . 1 1 88 88 HIS CA C 88 54.314 54.314 52.958 1.356 19538 8123 1 14 . 1 1 88 88 HIS CB C 88 33.245 33.245 32.208 1.037 19538 8124 1 14 . 1 1 88 88 HIS H H 88 8.104 8.104 8.810 -0.706 19538 8125 1 14 . 1 1 89 89 LEU N N 89 121.992 121.992 128.966 -6.974 19538 8126 1 14 . 1 1 89 89 LEU HA H 89 5.050 5.050 4.966 0.084 19538 8127 1 14 . 1 1 89 89 LEU CA C 89 52.983 52.983 53.367 -0.384 19538 8128 1 14 . 1 1 89 89 LEU CB C 89 46.355 46.355 46.128 0.227 19538 8129 1 14 . 1 1 89 89 LEU H H 89 8.600 8.600 9.439 -0.839 19538 8130 1 14 . 1 1 90 90 GLU N N 90 121.551 121.551 125.430 -3.879 19538 8131 1 14 . 1 1 90 90 GLU HA H 90 5.253 5.253 5.739 -0.486 19538 8132 1 14 . 1 1 90 90 GLU CA C 90 53.422 53.422 54.425 -1.003 19538 8133 1 14 . 1 1 90 90 GLU CB C 90 33.238 33.238 33.428 -0.190 19538 8134 1 14 . 1 1 90 90 GLU H H 90 8.816 8.816 9.361 -0.545 19538 8135 1 14 . 1 1 91 91 ALA N N 91 128.266 128.266 127.481 0.785 19538 8136 1 14 . 1 1 91 91 ALA HA H 91 5.385 5.385 5.573 -0.188 19538 8137 1 14 . 1 1 91 91 ALA CA C 91 49.164 49.164 49.954 -0.790 19538 8138 1 14 . 1 1 91 91 ALA CB C 91 23.227 23.227 23.214 0.013 19538 8139 1 14 . 1 1 91 91 ALA H H 91 9.287 9.287 8.671 0.616 19538 8140 1 14 . 1 1 92 92 LYS N N 92 121.573 121.573 119.407 2.166 19538 8141 1 14 . 1 1 92 92 LYS HA H 92 4.884 4.884 5.582 -0.698 19538 8142 1 14 . 1 1 92 92 LYS CA C 92 54.365 54.365 53.890 0.475 19538 8143 1 14 . 1 1 92 92 LYS CB C 92 36.427 36.427 36.123 0.304 19538 8144 1 14 . 1 1 92 92 LYS H H 92 9.160 9.160 9.052 0.108 19538 8145 1 14 . 1 1 93 93 GLU N N 93 127.022 127.022 124.969 2.053 19538 8146 1 14 . 1 1 93 93 GLU HA H 93 4.145 4.145 4.369 -0.224 19538 8147 1 14 . 1 1 93 93 GLU CA C 93 56.227 56.227 56.020 0.207 19538 8148 1 14 . 1 1 93 93 GLU CB C 93 30.986 30.986 30.537 0.449 19538 8149 1 14 . 1 1 93 93 GLU H H 93 8.525 8.525 8.882 -0.357 19538 8150 1 14 . 1 1 94 94 SER N N 94 120.676 120.676 121.504 -0.828 19538 8151 1 14 . 1 1 94 94 SER HA H 94 4.416 4.416 4.012 0.404 19538 8152 1 14 . 1 1 94 94 SER CA C 94 57.241 57.241 62.233 -4.992 19538 8153 1 14 . 1 1 94 94 SER CB C 94 63.634 63.634 63.410 0.224 19538 8154 1 14 . 1 1 94 94 SER H H 94 8.877 8.877 8.964 -0.087 19538 8155 1 14 . 1 1 95 95 LYS HA H 95 4.212 4.212 4.617 -0.405 19538 8156 1 14 . 1 1 95 95 LYS CA C 95 56.036 56.036 57.608 -1.573 19538 8157 1 14 . 1 1 95 95 LYS CB C 95 33.113 33.113 33.265 -0.152 19538 8158 1 14 . 1 1 96 96 GLN N N 96 118.641 118.641 116.784 1.857 19538 8159 1 14 . 1 1 96 96 GLN HA H 96 4.140 4.140 4.400 -0.260 19538 8160 1 14 . 1 1 96 96 GLN CA C 96 56.338 56.338 54.953 1.385 19538 8161 1 14 . 1 1 96 96 GLN CB C 96 28.958 28.958 29.069 -0.111 19538 8162 1 14 . 1 1 96 96 GLN H H 96 8.335 8.335 8.146 0.189 19538 8163 1 14 . 1 1 97 97 ASN N N 97 116.545 116.545 118.245 -1.700 19538 8164 1 14 . 1 1 97 97 ASN HA H 97 4.511 4.511 4.527 -0.016 19538 8165 1 14 . 1 1 97 97 ASN CA C 97 53.163 53.163 52.879 0.284 19538 8166 1 14 . 1 1 97 97 ASN CB C 97 38.370 38.370 39.308 -0.938 19538 8167 1 14 . 1 1 97 97 ASN H H 97 8.199 8.199 7.827 0.372 19538 8168 1 14 . 1 1 98 98 TYR N N 98 119.134 119.134 119.428 -0.294 19538 8169 1 14 . 1 1 98 98 TYR HA H 98 4.482 4.482 4.252 0.230 19538 8170 1 14 . 1 1 98 98 TYR CA C 98 57.458 57.458 60.375 -2.917 19538 8171 1 14 . 1 1 98 98 TYR CB C 98 38.539 38.539 38.679 -0.140 19538 8172 1 14 . 1 1 98 98 TYR H H 98 7.918 7.918 8.483 -0.565 19538 8173 1 14 . 1 1 99 99 GLN N N 99 119.975 119.975 116.774 3.201 19538 8174 1 14 . 1 1 99 99 GLN HA H 99 4.440 4.440 4.651 -0.211 19538 8175 1 14 . 1 1 99 99 GLN CA C 99 53.092 53.092 52.782 0.310 19538 8176 1 14 . 1 1 99 99 GLN CB C 99 27.891 27.891 30.097 -2.206 19538 8177 1 14 . 1 1 99 99 GLN H H 99 7.992 7.992 7.842 0.150 19538 8178 1 14 . 1 1 100 100 PRO HA H 100 4.294 4.294 4.410 -0.116 19538 8179 1 14 . 1 1 100 100 PRO CA C 100 62.415 62.415 62.022 0.393 19538 8180 1 14 . 1 1 100 100 PRO CB C 100 32.538 32.538 32.195 0.343 19538 8181 1 14 . 1 1 101 101 ASP N N 101 120.964 120.964 121.411 -0.447 19538 8182 1 14 . 1 1 101 101 ASP HA H 101 4.654 4.654 4.466 0.188 19538 8183 1 14 . 1 1 101 101 ASP CA C 101 52.845 52.845 54.588 -1.743 19538 8184 1 14 . 1 1 101 101 ASP CB C 101 42.316 42.316 41.867 0.449 19538 8185 1 14 . 1 1 101 101 ASP H H 101 8.225 8.225 8.734 -0.509 19538 8186 1 14 . 1 1 102 102 PHE N N 102 122.913 122.913 122.337 0.576 19538 8187 1 14 . 1 1 102 102 PHE HA H 102 4.642 4.642 4.535 0.107 19538 8188 1 14 . 1 1 102 102 PHE CA C 102 57.341 57.341 58.026 -0.685 19538 8189 1 14 . 1 1 102 102 PHE CB C 102 38.576 38.576 37.858 0.718 19538 8190 1 14 . 1 1 102 102 PHE H H 102 9.014 9.014 8.342 0.672 19538 8191 1 14 . 1 1 103 103 ILE N N 103 117.131 117.131 124.925 -7.794 19538 8192 1 14 . 1 1 103 103 ILE HA H 103 4.464 4.464 3.688 0.776 19538 8193 1 14 . 1 1 103 103 ILE CA C 103 60.346 60.346 64.212 -3.866 19538 8194 1 14 . 1 1 103 103 ILE CB C 103 39.243 39.243 38.335 0.908 19538 8195 1 14 . 1 1 103 103 ILE H H 103 8.765 8.765 8.752 0.013 19538 8196 1 14 . 1 1 104 104 ASN N N 104 117.264 117.264 114.790 2.474 19538 8197 1 14 . 1 1 104 104 ASN HA H 104 4.913 4.913 5.018 -0.105 19538 8198 1 14 . 1 1 104 104 ASN CA C 104 52.710 52.710 52.881 -0.171 19538 8199 1 14 . 1 1 104 104 ASN CB C 104 41.361 41.361 42.435 -1.074 19538 8200 1 14 . 1 1 104 104 ASN H H 104 7.441 7.441 8.198 -0.757 19538 8201 1 14 . 1 1 105 105 MET N N 105 125.685 125.685 120.706 4.979 19538 8202 1 14 . 1 1 105 105 MET HA H 105 5.484 5.484 5.239 0.245 19538 8203 1 14 . 1 1 105 105 MET CA C 105 56.071 56.071 55.125 0.946 19538 8204 1 14 . 1 1 105 105 MET CB C 105 34.514 34.514 34.877 -0.363 19538 8205 1 14 . 1 1 105 105 MET H H 105 9.244 9.244 8.537 0.707 19538 8206 1 14 . 1 1 106 106 TYR N N 106 125.856 125.856 121.026 4.830 19538 8207 1 14 . 1 1 106 106 TYR HA H 106 5.438 5.438 5.367 0.071 19538 8208 1 14 . 1 1 106 106 TYR CA C 106 54.552 54.552 55.203 -0.651 19538 8209 1 14 . 1 1 106 106 TYR CB C 106 40.104 40.104 40.968 -0.864 19538 8210 1 14 . 1 1 106 106 TYR H H 106 8.893 8.893 8.663 0.230 19538 8211 1 14 . 1 1 107 107 VAL N N 107 117.033 117.033 119.944 -2.911 19538 8212 1 14 . 1 1 107 107 VAL HA H 107 4.957 4.957 4.766 0.191 19538 8213 1 14 . 1 1 107 107 VAL CA C 107 60.008 60.008 60.760 -0.751 19538 8214 1 14 . 1 1 107 107 VAL CB C 107 35.319 35.319 35.031 0.288 19538 8215 1 14 . 1 1 107 107 VAL H H 107 9.041 9.041 9.369 -0.328 19538 8216 1 14 . 1 1 108 108 ASP N N 108 129.995 129.995 128.655 1.340 19538 8217 1 14 . 1 1 108 108 ASP HA H 108 5.240 5.240 4.988 0.252 19538 8218 1 14 . 1 1 108 108 ASP CA C 108 52.975 52.975 52.989 -0.014 19538 8219 1 14 . 1 1 108 108 ASP CB C 108 42.245 42.245 43.356 -1.111 19538 8220 1 14 . 1 1 108 108 ASP H H 108 9.382 9.382 9.328 0.054 19538 8221 1 14 . 1 1 109 109 VAL N N 109 129.641 129.641 126.999 2.642 19538 8222 1 14 . 1 1 109 109 VAL HA H 109 4.464 4.464 4.382 0.082 19538 8223 1 14 . 1 1 109 109 VAL CA C 109 58.694 58.694 59.107 -0.413 19538 8224 1 14 . 1 1 109 109 VAL CB C 109 33.061 33.061 33.335 -0.274 19538 8225 1 14 . 1 1 109 109 VAL H H 109 9.181 9.181 8.379 0.802 19538 8226 1 14 . 1 1 110 110 PRO HA H 110 4.288 4.288 4.436 -0.148 19538 8227 1 14 . 1 1 110 110 PRO CA C 110 64.107 64.107 64.003 0.104 19538 8228 1 14 . 1 1 110 110 PRO CB C 110 31.557 31.557 31.962 -0.405 19538 8229 1 14 . 1 1 111 111 GLY N N 111 112.873 112.873 111.800 1.073 19538 8230 1 14 . 1 1 111 111 GLY CA C 111 44.872 44.872 45.859 -0.987 19538 8231 1 14 . 1 1 111 111 GLY H H 111 8.839 8.839 8.860 -0.021 19538 8232 1 14 . 1 1 112 112 GLU N N 112 118.157 118.157 119.537 -1.380 19538 8233 1 14 . 1 1 112 112 GLU HA H 112 4.858 4.858 4.644 0.214 19538 8234 1 14 . 1 1 112 112 GLU CA C 112 52.732 52.732 54.540 -1.808 19538 8235 1 14 . 1 1 112 112 GLU CB C 112 31.513 31.513 31.862 -0.349 19538 8236 1 14 . 1 1 112 112 GLU H H 112 8.136 8.136 7.783 0.353 19538 8237 1 14 . 1 1 113 113 LYS N N 113 121.944 121.944 121.700 0.244 19538 8238 1 14 . 1 1 113 113 LYS HA H 113 4.208 4.208 4.320 -0.112 19538 8239 1 14 . 1 1 113 113 LYS CA C 113 55.810 55.810 55.338 0.472 19538 8240 1 14 . 1 1 113 113 LYS CB C 113 32.157 32.157 32.634 -0.477 19538 8241 1 14 . 1 1 113 113 LYS H H 113 8.847 8.847 8.479 0.368 19538 8242 1 14 . 1 1 114 114 ARG N N 114 126.520 126.520 121.521 4.999 19538 8243 1 14 . 1 1 114 114 ARG HA H 114 4.064 4.064 4.379 -0.315 19538 8244 1 14 . 1 1 114 114 ARG CA C 114 57.914 57.914 56.377 1.538 19538 8245 1 14 . 1 1 114 114 ARG CB C 114 30.627 30.627 30.171 0.456 19538 8246 1 14 . 1 1 114 114 ARG H H 114 8.539 8.539 8.362 0.177 19538 8247 1 14 . 1 1 115 115 TYR N N 115 128.478 128.478 127.957 0.521 19538 8248 1 14 . 1 1 115 115 TYR HA H 115 4.671 4.671 4.747 -0.076 19538 8249 1 14 . 1 1 115 115 TYR CA C 115 56.519 56.519 56.474 0.045 19538 8250 1 14 . 1 1 115 115 TYR CB C 115 40.193 40.193 41.083 -0.890 19538 8251 1 14 . 1 1 115 115 TYR H H 115 8.333 8.333 9.293 -0.960 19538 8252 1 14 . 1 1 116 116 TYR N N 116 127.101 127.101 128.136 -1.035 19538 8253 1 14 . 1 1 116 116 TYR HA H 116 4.553 4.553 4.460 0.093 19538 8254 1 14 . 1 1 116 116 TYR CA C 116 58.502 58.502 58.419 0.083 19538 8255 1 14 . 1 1 116 116 TYR CB C 116 38.842 38.842 37.475 1.367 19538 8256 1 14 . 1 1 116 116 TYR H H 116 8.740 8.740 8.464 0.276 19538 8257 1 14 . 1 1 117 117 LEU N N 117 125.574 125.574 124.815 0.759 19538 8258 1 14 . 1 1 117 117 LEU HA H 117 4.394 4.394 4.213 0.181 19538 8259 1 14 . 1 1 117 117 LEU CA C 117 57.384 57.384 56.636 0.748 19538 8260 1 14 . 1 1 117 117 LEU CB C 117 43.272 43.272 42.951 0.321 19538 8261 1 14 . 1 1 117 117 LEU H H 117 8.427 8.427 8.192 0.235 19538 8262 1 14 . 1 1 118 118 ILE N N 118 118.478 118.478 118.758 -0.280 19538 8263 1 14 . 1 1 118 118 ILE HA H 118 4.199 4.199 4.228 -0.029 19538 8264 1 14 . 1 1 118 118 ILE CA C 118 60.074 60.074 60.219 -0.145 19538 8265 1 14 . 1 1 118 118 ILE CB C 118 40.895 40.895 39.922 0.973 19538 8266 1 14 . 1 1 118 118 ILE H H 118 7.983 7.983 8.373 -0.390 19538 8267 1 14 . 1 1 119 119 LYS N N 119 127.589 127.589 128.509 -0.920 19538 8268 1 14 . 1 1 119 119 LYS HA H 119 4.778 4.778 4.643 0.135 19538 8269 1 14 . 1 1 119 119 LYS CA C 119 53.232 53.232 53.380 -0.149 19538 8270 1 14 . 1 1 119 119 LYS CB C 119 32.581 32.581 31.619 0.962 19538 8271 1 14 . 1 1 119 119 LYS H H 119 8.550 8.550 8.605 -0.055 19538 8272 1 14 . 1 1 120 120 PRO HA H 120 4.534 4.534 4.963 -0.429 19538 8273 1 14 . 1 1 120 120 PRO CA C 120 62.395 62.395 62.254 0.141 19538 8274 1 14 . 1 1 120 120 PRO CB C 120 32.059 32.059 32.761 -0.702 19538 8275 1 14 . 1 1 121 121 LYS N N 121 122.191 122.191 121.437 0.754 19538 8276 1 14 . 1 1 121 121 LYS HA H 121 4.136 4.136 3.853 0.283 19538 8277 1 14 . 1 1 121 121 LYS CA C 121 55.840 55.840 58.515 -2.675 19538 8278 1 14 . 1 1 121 121 LYS CB C 121 33.162 33.162 31.544 1.618 19538 8279 1 14 . 1 1 121 121 LYS H H 121 8.406 8.406 8.345 0.061 19538 8280 1 14 . 1 1 122 122 LEU N N 122 122.972 122.972 116.769 6.203 19538 8281 1 14 . 1 1 122 122 LEU HA H 122 4.219 4.219 3.807 0.412 19538 8282 1 14 . 1 1 122 122 LEU CA C 122 54.494 54.494 56.548 -2.054 19538 8283 1 14 . 1 1 122 122 LEU CB C 122 41.990 41.990 40.923 1.067 19538 8284 1 14 . 1 1 122 122 LEU H H 122 8.158 8.158 7.834 0.324 19538 8285 1 14 . 1 1 123 123 HIS N N 123 121.608 121.608 114.366 7.242 19538 8286 1 14 . 1 1 123 123 HIS HA H 123 4.776 4.776 4.353 0.423 19538 8287 1 14 . 1 1 123 123 HIS CA C 123 53.651 53.651 55.178 -1.527 19538 8288 1 14 . 1 1 123 123 HIS CB C 123 30.145 30.145 28.964 1.181 19538 8289 1 14 . 1 1 123 123 HIS H H 123 8.172 8.172 8.548 -0.376 19538 8290 1 14 . 1 1 124 124 PRO HA H 124 4.085 4.085 4.436 -0.351 19538 8291 1 14 . 1 1 124 124 PRO CA C 124 62.119 62.119 62.882 -0.763 19538 8292 1 14 . 1 1 124 124 PRO CB C 124 33.900 33.900 32.269 1.631 19538 8293 1 14 . 1 1 125 125 VAL N N 125 120.758 120.758 120.250 0.508 19538 8294 1 14 . 1 1 125 125 VAL HA H 125 4.085 4.085 3.816 0.269 19538 8295 1 14 . 1 1 125 125 VAL CA C 125 61.791 61.791 64.802 -3.011 19538 8296 1 14 . 1 1 125 125 VAL CB C 125 32.635 32.635 32.004 0.631 19538 8297 1 14 . 1 1 125 125 VAL H H 125 8.361 8.361 8.193 0.168 19538 8298 1 14 . 1 1 126 126 SER N N 126 119.450 119.450 116.609 2.841 19538 8299 1 14 . 1 1 126 126 SER HA H 126 4.417 4.417 4.632 -0.215 19538 8300 1 14 . 1 1 126 126 SER CA C 126 57.522 57.522 58.208 -0.686 19538 8301 1 14 . 1 1 126 126 SER CB C 126 63.634 63.634 62.162 1.472 19538 8302 1 14 . 1 1 126 126 SER H H 126 8.323 8.323 8.209 0.114 19538 8303 1 15 . 1 1 2 2 ALA N N 2 122.815 122.815 123.131 -0.316 19538 8304 1 15 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.097 0.196 19538 8305 1 15 . 1 1 2 2 ALA CA C 2 52.085 52.085 52.501 -0.416 19538 8306 1 15 . 1 1 2 2 ALA CB C 2 19.067 19.067 18.472 0.595 19538 8307 1 15 . 1 1 2 2 ALA H H 2 8.102 8.102 8.269 -0.167 19538 8308 1 15 . 1 1 3 3 MET N N 3 119.897 119.897 121.149 -1.252 19538 8309 1 15 . 1 1 3 3 MET HA H 3 4.401 4.401 4.326 0.075 19538 8310 1 15 . 1 1 3 3 MET CA C 3 55.339 55.339 56.420 -1.081 19538 8311 1 15 . 1 1 3 3 MET CB C 3 32.938 32.938 32.822 0.116 19538 8312 1 15 . 1 1 3 3 MET H H 3 8.501 8.501 8.325 0.176 19538 8313 1 15 . 1 1 4 4 GLY N N 4 110.174 110.174 112.013 -1.839 19538 8314 1 15 . 1 1 4 4 GLY CA C 4 44.706 44.706 45.520 -0.814 19538 8315 1 15 . 1 1 4 4 GLY H H 4 8.498 8.498 8.920 -0.422 19538 8316 1 15 . 1 1 5 5 SER HA H 5 4.368 4.368 4.421 -0.053 19538 8317 1 15 . 1 1 5 5 SER CA C 5 58.467 58.467 59.413 -0.947 19538 8318 1 15 . 1 1 5 5 SER CB C 5 63.530 63.530 62.980 0.550 19538 8319 1 15 . 1 1 6 6 GLY CA C 6 45.983 45.983 47.430 -1.447 19538 8320 1 15 . 1 1 7 7 ASP N N 7 122.649 122.649 120.811 1.838 19538 8321 1 15 . 1 1 7 7 ASP HA H 7 4.375 4.375 4.568 -0.193 19538 8322 1 15 . 1 1 7 7 ASP CA C 7 56.523 56.523 57.083 -0.560 19538 8323 1 15 . 1 1 7 7 ASP CB C 7 40.235 40.235 39.379 0.856 19538 8324 1 15 . 1 1 7 7 ASP H H 7 8.457 8.457 7.878 0.579 19538 8325 1 15 . 1 1 8 8 THR N N 8 116.751 116.751 117.430 -0.679 19538 8326 1 15 . 1 1 8 8 THR HA H 8 3.853 3.853 4.055 -0.202 19538 8327 1 15 . 1 1 8 8 THR CA C 8 66.104 66.104 67.294 -1.190 19538 8328 1 15 . 1 1 8 8 THR CB C 8 68.047 68.047 68.587 -0.540 19538 8329 1 15 . 1 1 8 8 THR H H 8 8.128 8.128 7.995 0.133 19538 8330 1 15 . 1 1 9 9 GLN N N 9 120.186 120.186 121.660 -1.474 19538 8331 1 15 . 1 1 9 9 GLN HA H 9 4.038 4.038 4.146 -0.108 19538 8332 1 15 . 1 1 9 9 GLN CA C 9 58.699 58.699 59.537 -0.838 19538 8333 1 15 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.690 -0.590 19538 8334 1 15 . 1 1 9 9 GLN H H 9 7.831 7.831 9.008 -1.177 19538 8335 1 15 . 1 1 10 10 LEU N N 10 120.735 120.735 120.182 0.553 19538 8336 1 15 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.128 -0.211 19538 8337 1 15 . 1 1 10 10 LEU CA C 10 58.126 58.126 58.308 -0.182 19538 8338 1 15 . 1 1 10 10 LEU CB C 10 41.935 41.935 41.774 0.161 19538 8339 1 15 . 1 1 10 10 LEU H H 10 7.670 7.670 9.081 -1.411 19538 8340 1 15 . 1 1 11 11 PHE N N 11 117.802 117.802 121.119 -3.317 19538 8341 1 15 . 1 1 11 11 PHE HA H 11 3.821 3.821 3.862 -0.041 19538 8342 1 15 . 1 1 11 11 PHE CA C 11 60.224 60.224 61.978 -1.754 19538 8343 1 15 . 1 1 11 11 PHE CB C 11 38.798 38.798 38.889 -0.091 19538 8344 1 15 . 1 1 11 11 PHE H H 11 7.939 7.939 9.235 -1.296 19538 8345 1 15 . 1 1 12 12 ASN N N 12 117.152 117.152 118.212 -1.060 19538 8346 1 15 . 1 1 12 12 ASN HA H 12 3.868 3.868 4.107 -0.239 19538 8347 1 15 . 1 1 12 12 ASN CA C 12 55.410 55.410 56.546 -1.136 19538 8348 1 15 . 1 1 12 12 ASN CB C 12 37.188 37.188 37.974 -0.786 19538 8349 1 15 . 1 1 12 12 ASN H H 12 8.562 8.562 8.845 -0.283 19538 8350 1 15 . 1 1 13 13 ARG N N 13 119.825 119.825 120.714 -0.889 19538 8351 1 15 . 1 1 13 13 ARG HA H 13 3.914 3.914 4.004 -0.090 19538 8352 1 15 . 1 1 13 13 ARG CA C 13 58.623 58.623 59.540 -0.917 19538 8353 1 15 . 1 1 13 13 ARG CB C 13 31.719 31.719 30.236 1.482 19538 8354 1 15 . 1 1 13 13 ARG H H 13 8.006 8.006 8.713 -0.707 19538 8355 1 15 . 1 1 14 14 ALA N N 14 122.749 122.749 122.615 0.134 19538 8356 1 15 . 1 1 14 14 ALA HA H 14 3.938 3.938 4.007 -0.069 19538 8357 1 15 . 1 1 14 14 ALA CA C 14 54.976 54.976 55.102 -0.126 19538 8358 1 15 . 1 1 14 14 ALA CB C 14 19.446 19.446 18.619 0.827 19538 8359 1 15 . 1 1 14 14 ALA H H 14 8.163 8.163 8.735 -0.572 19538 8360 1 15 . 1 1 15 15 VAL N N 15 118.460 118.460 118.909 -0.449 19538 8361 1 15 . 1 1 15 15 VAL HA H 15 3.219 3.219 3.571 -0.352 19538 8362 1 15 . 1 1 15 15 VAL CA C 15 66.611 66.611 66.256 0.355 19538 8363 1 15 . 1 1 15 15 VAL CB C 15 30.889 30.889 31.060 -0.171 19538 8364 1 15 . 1 1 15 15 VAL H H 15 8.718 8.718 8.448 0.270 19538 8365 1 15 . 1 1 16 16 SER N N 16 113.102 113.102 115.509 -2.407 19538 8366 1 15 . 1 1 16 16 SER HA H 16 4.144 4.144 4.027 0.117 19538 8367 1 15 . 1 1 16 16 SER CA C 16 60.888 60.888 62.129 -1.241 19538 8368 1 15 . 1 1 16 16 SER CB C 16 62.503 62.503 62.750 -0.247 19538 8369 1 15 . 1 1 16 16 SER H H 16 7.243 7.243 7.987 -0.744 19538 8370 1 15 . 1 1 17 17 MET N N 17 117.447 117.447 119.184 -1.737 19538 8371 1 15 . 1 1 17 17 MET HA H 17 3.875 3.875 4.115 -0.240 19538 8372 1 15 . 1 1 17 17 MET CA C 17 58.575 58.575 58.841 -0.266 19538 8373 1 15 . 1 1 17 17 MET CB C 17 33.489 33.489 32.968 0.521 19538 8374 1 15 . 1 1 17 17 MET H H 17 7.232 7.232 7.959 -0.727 19538 8375 1 15 . 1 1 18 18 VAL N N 18 117.842 117.842 112.536 5.306 19538 8376 1 15 . 1 1 18 18 VAL HA H 18 3.357 3.357 3.911 -0.554 19538 8377 1 15 . 1 1 18 18 VAL CA C 18 66.065 66.065 64.671 1.393 19538 8378 1 15 . 1 1 18 18 VAL CB C 18 31.686 31.686 32.095 -0.409 19538 8379 1 15 . 1 1 18 18 VAL H H 18 7.678 7.678 7.980 -0.302 19538 8380 1 15 . 1 1 19 19 GLU N N 19 113.150 113.150 120.666 -7.516 19538 8381 1 15 . 1 1 19 19 GLU HA H 19 3.618 3.618 3.991 -0.373 19538 8382 1 15 . 1 1 19 19 GLU CA C 19 58.198 58.198 59.845 -1.647 19538 8383 1 15 . 1 1 19 19 GLU CB C 19 29.786 29.786 29.651 0.135 19538 8384 1 15 . 1 1 19 19 GLU H H 19 8.378 8.378 8.743 -0.365 19538 8385 1 15 . 1 1 20 20 LYS N N 20 114.076 114.076 115.448 -1.372 19538 8386 1 15 . 1 1 20 20 LYS HA H 20 4.243 4.243 4.348 -0.105 19538 8387 1 15 . 1 1 20 20 LYS CA C 20 55.725 55.725 54.419 1.306 19538 8388 1 15 . 1 1 20 20 LYS CB C 20 33.032 33.032 31.917 1.115 19538 8389 1 15 . 1 1 20 20 LYS H H 20 7.072 7.072 7.705 -0.633 19538 8390 1 15 . 1 1 21 21 ASN N N 21 121.025 121.025 121.164 -0.139 19538 8391 1 15 . 1 1 21 21 ASN HA H 21 4.555 4.555 4.586 -0.031 19538 8392 1 15 . 1 1 21 21 ASN CA C 21 53.766 53.766 52.251 1.516 19538 8393 1 15 . 1 1 21 21 ASN CB C 21 39.835 39.835 38.914 0.921 19538 8394 1 15 . 1 1 21 21 ASN H H 21 7.230 7.230 7.556 -0.326 19538 8395 1 15 . 1 1 22 22 LYS N N 22 128.112 128.112 128.090 0.022 19538 8396 1 15 . 1 1 22 22 LYS HA H 22 3.698 3.698 3.860 -0.162 19538 8397 1 15 . 1 1 22 22 LYS CA C 22 59.519 59.519 59.851 -0.332 19538 8398 1 15 . 1 1 22 22 LYS CB C 22 32.140 32.140 31.391 0.749 19538 8399 1 15 . 1 1 22 22 LYS H H 22 8.846 8.846 8.593 0.253 19538 8400 1 15 . 1 1 23 23 ASP N N 23 120.250 120.250 120.283 -0.033 19538 8401 1 15 . 1 1 23 23 ASP HA H 23 4.297 4.297 4.403 -0.106 19538 8402 1 15 . 1 1 23 23 ASP CA C 23 56.787 56.787 56.870 -0.083 19538 8403 1 15 . 1 1 23 23 ASP CB C 23 39.444 39.444 40.467 -1.023 19538 8404 1 15 . 1 1 23 23 ASP H H 23 7.731 7.731 7.964 -0.233 19538 8405 1 15 . 1 1 24 24 ILE N N 24 121.988 121.988 120.546 1.442 19538 8406 1 15 . 1 1 24 24 ILE HA H 24 3.219 3.219 3.325 -0.106 19538 8407 1 15 . 1 1 24 24 ILE CA C 24 63.375 63.375 65.204 -1.829 19538 8408 1 15 . 1 1 24 24 ILE CB C 24 35.424 35.424 37.593 -2.169 19538 8409 1 15 . 1 1 24 24 ILE H H 24 8.431 8.431 7.353 1.078 19538 8410 1 15 . 1 1 25 25 ARG N N 25 118.181 118.181 120.041 -1.860 19538 8411 1 15 . 1 1 25 25 ARG HA H 25 3.810 3.810 3.935 -0.125 19538 8412 1 15 . 1 1 25 25 ARG CA C 25 60.546 60.546 60.114 0.432 19538 8413 1 15 . 1 1 25 25 ARG CB C 25 30.205 30.205 29.942 0.263 19538 8414 1 15 . 1 1 25 25 ARG H H 25 8.206 8.206 8.794 -0.588 19538 8415 1 15 . 1 1 26 26 SER N N 26 112.549 112.549 116.157 -3.608 19538 8416 1 15 . 1 1 26 26 SER HA H 26 4.373 4.373 4.175 0.198 19538 8417 1 15 . 1 1 26 26 SER CA C 26 61.040 61.040 62.293 -1.253 19538 8418 1 15 . 1 1 26 26 SER CB C 26 62.096 62.096 62.831 -0.735 19538 8419 1 15 . 1 1 26 26 SER H H 26 7.518 7.518 8.279 -0.761 19538 8420 1 15 . 1 1 27 27 LEU N N 27 125.275 125.275 122.406 2.869 19538 8421 1 15 . 1 1 27 27 LEU HA H 27 4.013 4.013 4.013 0.000 19538 8422 1 15 . 1 1 27 27 LEU CA C 27 57.652 57.652 57.823 -0.171 19538 8423 1 15 . 1 1 27 27 LEU CB C 27 42.548 42.548 42.044 0.505 19538 8424 1 15 . 1 1 27 27 LEU H H 27 8.050 8.050 8.213 -0.163 19538 8425 1 15 . 1 1 28 28 LEU N N 28 114.725 114.725 114.839 -0.114 19538 8426 1 15 . 1 1 28 28 LEU HA H 28 3.863 3.863 4.216 -0.353 19538 8427 1 15 . 1 1 28 28 LEU CA C 28 54.299 54.299 54.647 -0.348 19538 8428 1 15 . 1 1 28 28 LEU CB C 28 42.874 42.874 41.243 1.631 19538 8429 1 15 . 1 1 28 28 LEU H H 28 8.010 8.010 8.564 -0.554 19538 8430 1 15 . 1 1 29 29 GLN N N 29 116.444 116.444 114.162 2.282 19538 8431 1 15 . 1 1 29 29 GLN HA H 29 3.854 3.854 3.974 -0.120 19538 8432 1 15 . 1 1 29 29 GLN CA C 29 55.652 55.652 56.413 -0.761 19538 8433 1 15 . 1 1 29 29 GLN CB C 29 25.300 25.300 25.279 0.021 19538 8434 1 15 . 1 1 29 29 GLN H H 29 7.972 7.972 8.097 -0.125 19538 8435 1 15 . 1 1 30 30 CYS N N 30 116.363 116.363 120.366 -4.003 19538 8436 1 15 . 1 1 30 30 CYS HA H 30 4.133 4.133 4.105 0.028 19538 8437 1 15 . 1 1 30 30 CYS CA C 30 61.559 61.559 61.155 0.404 19538 8438 1 15 . 1 1 30 30 CYS CB C 30 27.701 27.701 26.262 1.439 19538 8439 1 15 . 1 1 30 30 CYS H H 30 7.847 7.847 8.785 -0.938 19538 8440 1 15 . 1 1 31 31 ASP N N 31 125.091 125.091 125.659 -0.568 19538 8441 1 15 . 1 1 31 31 ASP HA H 31 4.598 4.598 4.658 -0.060 19538 8442 1 15 . 1 1 31 31 ASP CA C 31 52.428 52.428 54.667 -2.239 19538 8443 1 15 . 1 1 31 31 ASP CB C 31 39.156 39.156 41.715 -2.559 19538 8444 1 15 . 1 1 31 31 ASP H H 31 9.918 9.918 8.691 1.227 19538 8445 1 15 . 1 1 32 32 ASP N N 32 124.593 124.593 122.417 2.176 19538 8446 1 15 . 1 1 32 32 ASP HA H 32 5.131 5.131 5.033 0.098 19538 8447 1 15 . 1 1 32 32 ASP CA C 32 52.190 52.190 53.517 -1.327 19538 8448 1 15 . 1 1 32 32 ASP CB C 32 41.542 41.542 44.433 -2.891 19538 8449 1 15 . 1 1 32 32 ASP H H 32 7.532 7.532 8.316 -0.784 19538 8450 1 15 . 1 1 33 33 GLY N N 33 109.888 109.888 112.941 -3.053 19538 8451 1 15 . 1 1 33 33 GLY CA C 33 44.840 44.840 46.852 -2.012 19538 8452 1 15 . 1 1 33 33 GLY H H 33 7.912 7.912 8.623 -0.711 19538 8453 1 15 . 1 1 34 34 ILE HA H 34 3.978 3.978 3.968 0.010 19538 8454 1 15 . 1 1 34 34 ILE CA C 34 63.210 63.210 64.146 -0.936 19538 8455 1 15 . 1 1 34 34 ILE CB C 34 38.027 38.027 38.142 -0.115 19538 8456 1 15 . 1 1 35 35 THR N N 35 109.823 109.823 111.401 -1.578 19538 8457 1 15 . 1 1 35 35 THR HA H 35 4.291 4.291 4.458 -0.167 19538 8458 1 15 . 1 1 35 35 THR CA C 35 61.511 61.511 61.254 0.257 19538 8459 1 15 . 1 1 35 35 THR CB C 35 68.374 68.374 68.943 -0.569 19538 8460 1 15 . 1 1 35 35 THR H H 35 7.995 7.995 7.671 0.324 19538 8461 1 15 . 1 1 36 36 GLY N N 36 109.916 109.916 110.268 -0.352 19538 8462 1 15 . 1 1 36 36 GLY CA C 36 44.282 44.282 44.768 -0.486 19538 8463 1 15 . 1 1 36 36 GLY H H 36 7.564 7.564 7.725 -0.161 19538 8464 1 15 . 1 1 37 37 LYS N N 37 119.833 119.833 120.718 -0.885 19538 8465 1 15 . 1 1 37 37 LYS HA H 37 4.442 4.442 4.597 -0.155 19538 8466 1 15 . 1 1 37 37 LYS CA C 37 54.520 54.520 55.734 -1.214 19538 8467 1 15 . 1 1 37 37 LYS CB C 37 33.208 33.208 34.001 -0.793 19538 8468 1 15 . 1 1 37 37 LYS H H 37 8.236 8.236 8.319 -0.083 19538 8469 1 15 . 1 1 38 38 GLU N N 38 125.697 125.697 125.646 0.051 19538 8470 1 15 . 1 1 38 38 GLU HA H 38 3.907 3.907 4.452 -0.545 19538 8471 1 15 . 1 1 38 38 GLU CA C 38 56.731 56.731 54.837 1.895 19538 8472 1 15 . 1 1 38 38 GLU CB C 38 29.779 29.779 31.759 -1.980 19538 8473 1 15 . 1 1 38 38 GLU H H 38 8.175 8.175 8.782 -0.607 19538 8474 1 15 . 1 1 39 39 ARG N N 39 128.738 128.738 122.973 5.765 19538 8475 1 15 . 1 1 39 39 ARG HA H 39 4.260 4.260 4.478 -0.218 19538 8476 1 15 . 1 1 39 39 ARG CA C 39 55.343 55.343 54.523 0.820 19538 8477 1 15 . 1 1 39 39 ARG CB C 39 29.529 29.529 30.990 -1.461 19538 8478 1 15 . 1 1 39 39 ARG H H 39 8.920 8.920 8.485 0.435 19538 8479 1 15 . 1 1 40 40 LEU N N 40 127.659 127.659 124.455 3.204 19538 8480 1 15 . 1 1 40 40 LEU HA H 40 4.488 4.488 4.612 -0.124 19538 8481 1 15 . 1 1 40 40 LEU CA C 40 53.848 53.848 55.286 -1.438 19538 8482 1 15 . 1 1 40 40 LEU CB C 40 42.333 42.333 42.663 -0.330 19538 8483 1 15 . 1 1 40 40 LEU H H 40 8.670 8.670 8.468 0.202 19538 8484 1 15 . 1 1 41 41 LYS N N 41 121.136 121.136 123.601 -2.465 19538 8485 1 15 . 1 1 41 41 LYS HA H 41 4.647 4.647 4.762 -0.115 19538 8486 1 15 . 1 1 41 41 LYS CA C 41 55.062 55.062 54.591 0.471 19538 8487 1 15 . 1 1 41 41 LYS CB C 41 35.064 35.064 36.499 -1.435 19538 8488 1 15 . 1 1 41 41 LYS H H 41 8.273 8.273 8.598 -0.325 19538 8489 1 15 . 1 1 42 42 ALA N N 42 123.758 123.758 125.759 -2.001 19538 8490 1 15 . 1 1 42 42 ALA HA H 42 5.605 5.605 5.307 0.298 19538 8491 1 15 . 1 1 42 42 ALA CA C 42 50.529 50.529 51.031 -0.501 19538 8492 1 15 . 1 1 42 42 ALA CB C 42 22.577 22.577 21.899 0.678 19538 8493 1 15 . 1 1 42 42 ALA H H 42 8.488 8.488 8.533 -0.045 19538 8494 1 15 . 1 1 43 43 TYR N N 43 116.716 116.716 120.230 -3.514 19538 8495 1 15 . 1 1 43 43 TYR HA H 43 4.758 4.758 4.894 -0.136 19538 8496 1 15 . 1 1 43 43 TYR CA C 43 55.975 55.975 55.748 0.227 19538 8497 1 15 . 1 1 43 43 TYR CB C 43 38.409 38.409 39.885 -1.476 19538 8498 1 15 . 1 1 43 43 TYR H H 43 8.123 8.123 9.086 -0.963 19538 8499 1 15 . 1 1 44 44 GLY N N 44 106.591 106.591 107.054 -0.463 19538 8500 1 15 . 1 1 44 44 GLY CA C 44 45.172 45.172 44.959 0.213 19538 8501 1 15 . 1 1 44 44 GLY H H 44 8.663 8.663 8.554 0.109 19538 8502 1 15 . 1 1 45 45 GLU N N 45 118.850 118.850 119.492 -0.642 19538 8503 1 15 . 1 1 45 45 GLU HA H 45 4.310 4.310 3.907 0.403 19538 8504 1 15 . 1 1 45 45 GLU CA C 45 56.286 56.286 58.382 -2.096 19538 8505 1 15 . 1 1 45 45 GLU CB C 45 31.304 31.304 30.112 1.192 19538 8506 1 15 . 1 1 45 45 GLU H H 45 8.287 8.287 8.754 -0.467 19538 8507 1 15 . 1 1 46 46 LEU N N 46 124.692 124.692 118.891 5.801 19538 8508 1 15 . 1 1 46 46 LEU HA H 46 4.361 4.361 4.401 -0.040 19538 8509 1 15 . 1 1 46 46 LEU CA C 46 54.967 54.967 55.759 -0.792 19538 8510 1 15 . 1 1 46 46 LEU CB C 46 41.980 41.980 42.377 -0.397 19538 8511 1 15 . 1 1 46 46 LEU H H 46 9.010 9.010 7.960 1.050 19538 8512 1 15 . 1 1 47 47 ILE N N 47 123.302 123.302 112.117 11.185 19538 8513 1 15 . 1 1 47 47 ILE HA H 47 4.272 4.272 4.344 -0.072 19538 8514 1 15 . 1 1 47 47 ILE CA C 47 60.399 60.399 61.443 -1.044 19538 8515 1 15 . 1 1 47 47 ILE CB C 47 38.676 38.676 37.548 1.128 19538 8516 1 15 . 1 1 47 47 ILE H H 47 8.407 8.407 7.610 0.797 19538 8517 1 15 . 1 1 48 48 THR N N 48 117.749 117.749 116.363 1.386 19538 8518 1 15 . 1 1 48 48 THR HA H 48 4.330 4.330 4.048 0.282 19538 8519 1 15 . 1 1 48 48 THR CA C 48 61.234 61.234 65.722 -4.488 19538 8520 1 15 . 1 1 48 48 THR CB C 48 69.327 69.327 68.413 0.914 19538 8521 1 15 . 1 1 48 48 THR H H 48 8.183 8.183 7.661 0.522 19538 8522 1 15 . 1 1 49 49 ASN N N 49 120.102 120.102 117.296 2.806 19538 8523 1 15 . 1 1 49 49 ASN HA H 49 4.585 4.585 4.592 -0.007 19538 8524 1 15 . 1 1 49 49 ASN CA C 49 53.193 53.193 53.422 -0.229 19538 8525 1 15 . 1 1 49 49 ASN CB C 49 38.261 38.261 38.331 -0.070 19538 8526 1 15 . 1 1 49 49 ASN H H 49 8.418 8.418 8.513 -0.095 19538 8527 1 15 . 1 1 50 50 ASP N N 50 119.783 119.783 118.970 0.813 19538 8528 1 15 . 1 1 50 50 ASP HA H 50 4.454 4.454 4.359 0.095 19538 8529 1 15 . 1 1 50 50 ASP CA C 50 53.950 53.950 56.531 -2.581 19538 8530 1 15 . 1 1 50 50 ASP CB C 50 41.231 41.231 41.145 0.086 19538 8531 1 15 . 1 1 50 50 ASP H H 50 8.096 8.096 7.368 0.728 19538 8532 1 15 . 1 1 51 51 LYS N N 51 120.547 120.547 119.032 1.515 19538 8533 1 15 . 1 1 51 51 LYS HA H 51 4.017 4.017 3.920 0.097 19538 8534 1 15 . 1 1 51 51 LYS CA C 51 56.633 56.633 57.532 -0.899 19538 8535 1 15 . 1 1 51 51 LYS CB C 51 32.052 32.052 31.955 0.097 19538 8536 1 15 . 1 1 51 51 LYS H H 51 8.173 8.173 7.733 0.440 19538 8537 1 15 . 1 1 52 52 TRP N N 52 120.062 120.062 118.819 1.243 19538 8538 1 15 . 1 1 52 52 TRP HA H 52 4.617 4.617 4.875 -0.258 19538 8539 1 15 . 1 1 52 52 TRP CA C 52 57.045 57.045 57.739 -0.694 19538 8540 1 15 . 1 1 52 52 TRP CB C 52 29.251 29.251 29.921 -0.670 19538 8541 1 15 . 1 1 52 52 TRP H H 52 8.094 8.094 8.037 0.057 19538 8542 1 15 . 1 1 53 53 THR N N 53 115.770 115.770 110.016 5.754 19538 8543 1 15 . 1 1 53 53 THR HA H 53 4.262 4.262 5.019 -0.757 19538 8544 1 15 . 1 1 53 53 THR CA C 53 61.625 61.625 60.624 1.001 19538 8545 1 15 . 1 1 53 53 THR CB C 53 69.153 69.153 69.699 -0.546 19538 8546 1 15 . 1 1 53 53 THR H H 53 7.789 7.789 8.028 -0.239 19538 8547 1 15 . 1 1 54 54 ARG N N 54 122.136 122.136 121.191 0.945 19538 8548 1 15 . 1 1 54 54 ARG HA H 54 4.133 4.133 4.129 0.004 19538 8549 1 15 . 1 1 54 54 ARG CA C 54 56.038 56.038 58.117 -2.079 19538 8550 1 15 . 1 1 54 54 ARG CB C 54 30.441 30.441 29.768 0.673 19538 8551 1 15 . 1 1 54 54 ARG H H 54 8.191 8.191 8.580 -0.389 19538 8552 1 15 . 1 1 55 55 ASN N N 55 117.842 117.842 115.648 2.194 19538 8553 1 15 . 1 1 55 55 ASN HA H 55 4.713 4.713 4.415 0.298 19538 8554 1 15 . 1 1 55 55 ASN CA C 55 52.873 52.873 53.119 -0.246 19538 8555 1 15 . 1 1 55 55 ASN CB C 55 38.769 38.769 37.226 1.543 19538 8556 1 15 . 1 1 55 55 ASN H H 55 8.205 8.205 8.114 0.091 19538 8557 1 15 . 1 1 56 56 ARG N N 56 121.615 121.615 121.745 -0.130 19538 8558 1 15 . 1 1 56 56 ARG HA H 56 4.542 4.542 4.124 0.418 19538 8559 1 15 . 1 1 56 56 ARG CA C 56 53.765 53.765 55.696 -1.931 19538 8560 1 15 . 1 1 56 56 ARG CB C 56 30.009 30.009 29.091 0.918 19538 8561 1 15 . 1 1 56 56 ARG H H 56 8.246 8.246 7.979 0.267 19538 8562 1 15 . 1 1 57 57 PRO HA H 57 4.273 4.273 4.486 -0.213 19538 8563 1 15 . 1 1 57 57 PRO CA C 57 62.424 62.424 62.286 0.138 19538 8564 1 15 . 1 1 57 57 PRO CB C 57 31.987 31.987 32.374 -0.387 19538 8565 1 15 . 1 1 58 58 ILE N N 58 122.700 122.700 120.319 2.381 19538 8566 1 15 . 1 1 58 58 ILE HA H 58 4.089 4.089 3.908 0.181 19538 8567 1 15 . 1 1 58 58 ILE CA C 58 60.655 60.655 62.521 -1.866 19538 8568 1 15 . 1 1 58 58 ILE CB C 58 37.111 37.111 35.829 1.282 19538 8569 1 15 . 1 1 58 58 ILE H H 58 8.098 8.098 8.182 -0.084 19538 8570 1 15 . 1 1 59 59 VAL N N 59 124.097 124.097 117.386 6.711 19538 8571 1 15 . 1 1 59 59 VAL HA H 59 4.549 4.549 4.756 -0.207 19538 8572 1 15 . 1 1 59 59 VAL CA C 59 59.613 59.613 59.524 0.089 19538 8573 1 15 . 1 1 59 59 VAL CB C 59 34.980 34.980 35.746 -0.766 19538 8574 1 15 . 1 1 59 59 VAL H H 59 8.167 8.167 7.912 0.255 19538 8575 1 15 . 1 1 60 60 SER N N 60 119.752 119.752 117.648 2.104 19538 8576 1 15 . 1 1 60 60 SER HA H 60 5.136 5.136 5.287 -0.151 19538 8577 1 15 . 1 1 60 60 SER CA C 60 56.467 56.467 57.069 -0.602 19538 8578 1 15 . 1 1 60 60 SER CB C 60 64.890 64.890 64.107 0.783 19538 8579 1 15 . 1 1 60 60 SER H H 60 8.592 8.592 8.496 0.096 19538 8580 1 15 . 1 1 61 61 THR N N 61 117.559 117.559 117.845 -0.286 19538 8581 1 15 . 1 1 61 61 THR HA H 61 4.576 4.576 4.202 0.374 19538 8582 1 15 . 1 1 61 61 THR CA C 61 61.348 61.348 62.123 -0.775 19538 8583 1 15 . 1 1 61 61 THR CB C 61 70.276 70.276 69.602 0.674 19538 8584 1 15 . 1 1 61 61 THR H H 61 9.214 9.214 9.010 0.204 19538 8585 1 15 . 1 1 62 62 LYS N N 62 123.743 123.743 126.559 -2.816 19538 8586 1 15 . 1 1 62 62 LYS HA H 62 5.507 5.507 4.673 0.834 19538 8587 1 15 . 1 1 62 62 LYS CA C 62 54.843 54.843 55.134 -0.291 19538 8588 1 15 . 1 1 62 62 LYS CB C 62 35.211 35.211 31.447 3.764 19538 8589 1 15 . 1 1 62 62 LYS H H 62 8.687 8.687 8.455 0.232 19538 8590 1 15 . 1 1 63 63 LYS N N 63 121.218 121.218 126.000 -4.782 19538 8591 1 15 . 1 1 63 63 LYS HA H 63 4.595 4.595 4.648 -0.053 19538 8592 1 15 . 1 1 63 63 LYS CA C 63 54.760 54.760 55.059 -0.299 19538 8593 1 15 . 1 1 63 63 LYS CB C 63 36.712 36.712 34.101 2.611 19538 8594 1 15 . 1 1 63 63 LYS H H 63 8.797 8.797 9.279 -0.482 19538 8595 1 15 . 1 1 64 64 LEU N N 64 124.605 124.605 129.078 -4.473 19538 8596 1 15 . 1 1 64 64 LEU HA H 64 4.920 4.920 4.769 0.151 19538 8597 1 15 . 1 1 64 64 LEU CA C 64 53.797 53.797 54.081 -0.284 19538 8598 1 15 . 1 1 64 64 LEU CB C 64 43.553 43.553 41.849 1.704 19538 8599 1 15 . 1 1 64 64 LEU H H 64 8.604 8.604 8.861 -0.257 19538 8600 1 15 . 1 1 65 65 ASP N N 65 122.577 122.577 126.168 -3.591 19538 8601 1 15 . 1 1 65 65 ASP HA H 65 4.664 4.664 4.905 -0.241 19538 8602 1 15 . 1 1 65 65 ASP CA C 65 51.824 51.824 52.911 -1.087 19538 8603 1 15 . 1 1 65 65 ASP CB C 65 41.277 41.277 42.847 -1.570 19538 8604 1 15 . 1 1 65 65 ASP H H 65 8.455 8.455 7.977 0.478 19538 8605 1 15 . 1 1 66 66 LYS N N 66 117.718 117.718 119.863 -2.145 19538 8606 1 15 . 1 1 66 66 LYS HA H 66 4.052 4.052 3.944 0.108 19538 8607 1 15 . 1 1 66 66 LYS CA C 66 58.116 58.116 58.944 -0.828 19538 8608 1 15 . 1 1 66 66 LYS CB C 66 31.677 31.677 31.895 -0.218 19538 8609 1 15 . 1 1 66 66 LYS H H 66 8.339 8.339 8.687 -0.348 19538 8610 1 15 . 1 1 67 67 GLU N N 67 118.253 118.253 118.556 -0.303 19538 8611 1 15 . 1 1 67 67 GLU HA H 67 4.323 4.323 4.165 0.158 19538 8612 1 15 . 1 1 67 67 GLU CA C 67 56.018 56.018 57.015 -0.997 19538 8613 1 15 . 1 1 67 67 GLU CB C 67 29.587 29.587 29.258 0.329 19538 8614 1 15 . 1 1 67 67 GLU H H 67 8.096 8.096 8.029 0.067 19538 8615 1 15 . 1 1 68 68 GLY N N 68 107.960 107.960 106.806 1.154 19538 8616 1 15 . 1 1 68 68 GLY CA C 68 45.213 45.213 45.705 -0.492 19538 8617 1 15 . 1 1 68 68 GLY H H 68 8.168 8.168 8.832 -0.664 19538 8618 1 15 . 1 1 69 69 ARG N N 69 121.436 121.436 119.325 2.111 19538 8619 1 15 . 1 1 69 69 ARG HA H 69 4.482 4.482 5.328 -0.846 19538 8620 1 15 . 1 1 69 69 ARG CA C 69 54.229 54.229 52.819 1.411 19538 8621 1 15 . 1 1 69 69 ARG CB C 69 30.399 30.399 32.259 -1.860 19538 8622 1 15 . 1 1 69 69 ARG H H 69 8.590 8.590 7.595 0.995 19538 8623 1 15 . 1 1 70 70 THR N N 70 120.709 120.709 120.187 0.522 19538 8624 1 15 . 1 1 70 70 THR HA H 70 4.298 4.298 4.560 -0.262 19538 8625 1 15 . 1 1 70 70 THR CA C 70 64.365 64.365 62.412 1.953 19538 8626 1 15 . 1 1 70 70 THR CB C 70 68.832 68.832 68.681 0.151 19538 8627 1 15 . 1 1 70 70 THR H H 70 8.822 8.822 8.500 0.322 19538 8628 1 15 . 1 1 71 71 HIS N N 71 127.496 127.496 127.250 0.246 19538 8629 1 15 . 1 1 71 71 HIS HA H 71 5.138 5.138 4.833 0.305 19538 8630 1 15 . 1 1 71 71 HIS CA C 71 53.948 53.948 55.446 -1.498 19538 8631 1 15 . 1 1 71 71 HIS CB C 71 31.791 31.791 31.520 0.271 19538 8632 1 15 . 1 1 71 71 HIS H H 71 9.384 9.384 9.777 -0.393 19538 8633 1 15 . 1 1 72 72 HIS N N 72 121.684 121.684 127.879 -6.195 19538 8634 1 15 . 1 1 72 72 HIS HA H 72 5.094 5.094 5.157 -0.063 19538 8635 1 15 . 1 1 72 72 HIS CA C 72 54.390 54.390 54.266 0.124 19538 8636 1 15 . 1 1 72 72 HIS CB C 72 33.961 33.961 30.342 3.619 19538 8637 1 15 . 1 1 72 72 HIS H H 72 9.076 9.076 9.419 -0.343 19538 8638 1 15 . 1 1 73 73 TYR N N 73 121.287 121.287 126.043 -4.756 19538 8639 1 15 . 1 1 73 73 TYR HA H 73 5.305 5.305 4.972 0.333 19538 8640 1 15 . 1 1 73 73 TYR CA C 73 56.017 56.017 58.042 -2.025 19538 8641 1 15 . 1 1 73 73 TYR CB C 73 39.479 39.479 39.105 0.374 19538 8642 1 15 . 1 1 73 73 TYR H H 73 9.305 9.305 8.731 0.574 19538 8643 1 15 . 1 1 74 74 MET N N 74 124.078 124.078 124.537 -0.459 19538 8644 1 15 . 1 1 74 74 MET HA H 74 4.867 4.867 5.530 -0.663 19538 8645 1 15 . 1 1 74 74 MET CA C 74 54.701 54.701 54.512 0.189 19538 8646 1 15 . 1 1 74 74 MET CB C 74 38.007 38.007 36.967 1.040 19538 8647 1 15 . 1 1 74 74 MET H H 74 8.761 8.761 9.559 -0.798 19538 8648 1 15 . 1 1 75 75 ARG N N 75 123.962 123.962 125.107 -1.145 19538 8649 1 15 . 1 1 75 75 ARG HA H 75 5.471 5.471 5.659 -0.188 19538 8650 1 15 . 1 1 75 75 ARG CA C 75 53.340 53.340 54.341 -1.001 19538 8651 1 15 . 1 1 75 75 ARG CB C 75 34.441 34.441 33.886 0.555 19538 8652 1 15 . 1 1 75 75 ARG H H 75 8.427 8.427 8.954 -0.527 19538 8653 1 15 . 1 1 76 76 PHE N N 76 114.935 114.935 116.676 -1.741 19538 8654 1 15 . 1 1 76 76 PHE HA H 76 4.621 4.621 5.287 -0.666 19538 8655 1 15 . 1 1 76 76 PHE CA C 76 55.856 55.856 56.215 -0.359 19538 8656 1 15 . 1 1 76 76 PHE CB C 76 39.167 39.167 41.491 -2.324 19538 8657 1 15 . 1 1 76 76 PHE H H 76 8.296 8.296 8.940 -0.644 19538 8658 1 15 . 1 1 77 77 HIS N N 77 117.830 117.830 120.526 -2.696 19538 8659 1 15 . 1 1 77 77 HIS HA H 77 5.451 5.451 5.489 -0.038 19538 8660 1 15 . 1 1 77 77 HIS CA C 77 54.767 54.767 55.570 -0.803 19538 8661 1 15 . 1 1 77 77 HIS CB C 77 31.102 31.102 32.200 -1.098 19538 8662 1 15 . 1 1 77 77 HIS H H 77 9.190 9.190 9.543 -0.352 19538 8663 1 15 . 1 1 78 78 VAL N N 78 114.372 114.372 118.974 -4.602 19538 8664 1 15 . 1 1 78 78 VAL HA H 78 5.110 5.110 5.163 -0.053 19538 8665 1 15 . 1 1 78 78 VAL CA C 78 59.653 59.653 59.042 0.611 19538 8666 1 15 . 1 1 78 78 VAL CB C 78 35.073 35.073 35.781 -0.708 19538 8667 1 15 . 1 1 78 78 VAL H H 78 7.860 7.860 9.361 -1.501 19538 8668 1 15 . 1 1 79 79 GLU N N 79 126.076 126.076 124.245 1.831 19538 8669 1 15 . 1 1 79 79 GLU HA H 79 5.400 5.400 5.077 0.323 19538 8670 1 15 . 1 1 79 79 GLU CA C 79 54.316 54.316 55.023 -0.707 19538 8671 1 15 . 1 1 79 79 GLU CB C 79 34.060 34.060 32.363 1.697 19538 8672 1 15 . 1 1 79 79 GLU H H 79 9.213 9.213 9.369 -0.156 19538 8673 1 15 . 1 1 80 80 SER N N 80 124.627 124.627 123.226 1.401 19538 8674 1 15 . 1 1 80 80 SER HA H 80 4.892 4.892 4.586 0.306 19538 8675 1 15 . 1 1 80 80 SER CA C 80 54.930 54.930 57.796 -2.866 19538 8676 1 15 . 1 1 80 80 SER CB C 80 67.503 67.503 64.292 3.211 19538 8677 1 15 . 1 1 80 80 SER H H 80 9.464 9.464 9.248 0.216 19538 8678 1 15 . 1 1 81 81 LYS N N 81 119.240 119.240 118.499 0.741 19538 8679 1 15 . 1 1 81 81 LYS HA H 81 4.000 4.000 4.184 -0.184 19538 8680 1 15 . 1 1 81 81 LYS CA C 81 59.099 59.099 58.327 0.772 19538 8681 1 15 . 1 1 81 81 LYS CB C 81 31.721 31.721 32.493 -0.772 19538 8682 1 15 . 1 1 81 81 LYS H H 81 10.052 10.052 8.191 1.861 19538 8683 1 15 . 1 1 82 82 LYS N N 82 114.688 114.688 115.421 -0.733 19538 8684 1 15 . 1 1 82 82 LYS HA H 82 4.365 4.365 4.429 -0.064 19538 8685 1 15 . 1 1 82 82 LYS CA C 82 56.211 56.211 56.539 -0.328 19538 8686 1 15 . 1 1 82 82 LYS CB C 82 36.484 36.484 34.920 1.564 19538 8687 1 15 . 1 1 82 82 LYS H H 82 7.782 7.782 7.586 0.196 19538 8688 1 15 . 1 1 83 83 LYS N N 83 118.992 118.992 119.827 -0.835 19538 8689 1 15 . 1 1 83 83 LYS HA H 83 4.749 4.749 4.749 0.000 19538 8690 1 15 . 1 1 83 83 LYS CA C 83 53.590 53.590 54.239 -0.649 19538 8691 1 15 . 1 1 83 83 LYS CB C 83 39.218 39.218 36.249 2.969 19538 8692 1 15 . 1 1 83 83 LYS H H 83 7.962 7.962 8.539 -0.577 19538 8693 1 15 . 1 1 84 84 ILE N N 84 118.513 118.513 120.386 -1.873 19538 8694 1 15 . 1 1 84 84 ILE HA H 84 4.556 4.556 4.785 -0.229 19538 8695 1 15 . 1 1 84 84 ILE CA C 84 60.643 60.643 60.563 0.080 19538 8696 1 15 . 1 1 84 84 ILE CB C 84 39.946 39.946 39.404 0.541 19538 8697 1 15 . 1 1 84 84 ILE H H 84 7.927 7.927 8.516 -0.589 19538 8698 1 15 . 1 1 85 85 ALA N N 85 127.327 127.327 129.440 -2.113 19538 8699 1 15 . 1 1 85 85 ALA HA H 85 5.048 5.048 5.185 -0.137 19538 8700 1 15 . 1 1 85 85 ALA CA C 85 49.316 49.316 49.580 -0.264 19538 8701 1 15 . 1 1 85 85 ALA CB C 85 24.205 24.205 23.175 1.030 19538 8702 1 15 . 1 1 85 85 ALA H H 85 9.211 9.211 9.277 -0.066 19538 8703 1 15 . 1 1 86 86 LEU N N 86 122.978 122.978 123.189 -0.211 19538 8704 1 15 . 1 1 86 86 LEU HA H 86 4.554 4.554 4.587 -0.033 19538 8705 1 15 . 1 1 86 86 LEU CA C 86 53.671 53.671 52.936 0.735 19538 8706 1 15 . 1 1 86 86 LEU CB C 86 44.396 44.396 44.865 -0.469 19538 8707 1 15 . 1 1 86 86 LEU H H 86 8.312 8.312 8.976 -0.664 19538 8708 1 15 . 1 1 87 87 VAL N N 87 127.511 127.511 126.401 1.110 19538 8709 1 15 . 1 1 87 87 VAL HA H 87 4.244 4.244 4.450 -0.206 19538 8710 1 15 . 1 1 87 87 VAL CA C 87 60.226 60.226 60.313 -0.087 19538 8711 1 15 . 1 1 87 87 VAL CB C 87 31.609 31.609 33.202 -1.593 19538 8712 1 15 . 1 1 87 87 VAL H H 87 9.017 9.017 8.975 0.042 19538 8713 1 15 . 1 1 88 88 HIS N N 88 124.227 124.227 127.039 -2.812 19538 8714 1 15 . 1 1 88 88 HIS HA H 88 4.687 4.687 5.150 -0.463 19538 8715 1 15 . 1 1 88 88 HIS CA C 88 54.314 54.314 52.823 1.491 19538 8716 1 15 . 1 1 88 88 HIS CB C 88 33.245 33.245 32.592 0.653 19538 8717 1 15 . 1 1 88 88 HIS H H 88 8.104 8.104 8.583 -0.479 19538 8718 1 15 . 1 1 89 89 LEU N N 89 121.992 121.992 128.734 -6.742 19538 8719 1 15 . 1 1 89 89 LEU HA H 89 5.050 5.050 5.034 0.016 19538 8720 1 15 . 1 1 89 89 LEU CA C 89 52.983 52.983 53.385 -0.401 19538 8721 1 15 . 1 1 89 89 LEU CB C 89 46.355 46.355 46.481 -0.126 19538 8722 1 15 . 1 1 89 89 LEU H H 89 8.600 8.600 9.674 -1.074 19538 8723 1 15 . 1 1 90 90 GLU N N 90 121.551 121.551 125.601 -4.050 19538 8724 1 15 . 1 1 90 90 GLU HA H 90 5.253 5.253 5.624 -0.371 19538 8725 1 15 . 1 1 90 90 GLU CA C 90 53.422 53.422 54.593 -1.171 19538 8726 1 15 . 1 1 90 90 GLU CB C 90 33.238 33.238 32.639 0.599 19538 8727 1 15 . 1 1 90 90 GLU H H 90 8.816 8.816 9.402 -0.586 19538 8728 1 15 . 1 1 91 91 ALA N N 91 128.266 128.266 128.189 0.077 19538 8729 1 15 . 1 1 91 91 ALA HA H 91 5.385 5.385 5.452 -0.067 19538 8730 1 15 . 1 1 91 91 ALA CA C 91 49.164 49.164 49.565 -0.401 19538 8731 1 15 . 1 1 91 91 ALA CB C 91 23.227 23.227 23.001 0.226 19538 8732 1 15 . 1 1 91 91 ALA H H 91 9.287 9.287 9.125 0.162 19538 8733 1 15 . 1 1 92 92 LYS N N 92 121.573 121.573 118.308 3.265 19538 8734 1 15 . 1 1 92 92 LYS HA H 92 4.884 4.884 5.230 -0.346 19538 8735 1 15 . 1 1 92 92 LYS CA C 92 54.365 54.365 53.915 0.450 19538 8736 1 15 . 1 1 92 92 LYS CB C 92 36.427 36.427 35.994 0.433 19538 8737 1 15 . 1 1 92 92 LYS H H 92 9.160 9.160 8.878 0.282 19538 8738 1 15 . 1 1 93 93 GLU N N 93 127.022 127.022 124.515 2.507 19538 8739 1 15 . 1 1 93 93 GLU HA H 93 4.145 4.145 4.310 -0.165 19538 8740 1 15 . 1 1 93 93 GLU CA C 93 56.227 56.227 55.819 0.408 19538 8741 1 15 . 1 1 93 93 GLU CB C 93 30.986 30.986 30.132 0.854 19538 8742 1 15 . 1 1 93 93 GLU H H 93 8.525 8.525 9.039 -0.514 19538 8743 1 15 . 1 1 94 94 SER N N 94 120.676 120.676 122.668 -1.992 19538 8744 1 15 . 1 1 94 94 SER HA H 94 4.416 4.416 4.078 0.338 19538 8745 1 15 . 1 1 94 94 SER CA C 94 57.241 57.241 61.861 -4.620 19538 8746 1 15 . 1 1 94 94 SER CB C 94 63.634 63.634 63.508 0.126 19538 8747 1 15 . 1 1 94 94 SER H H 94 8.877 8.877 8.362 0.515 19538 8748 1 15 . 1 1 95 95 LYS HA H 95 4.212 4.212 4.396 -0.184 19538 8749 1 15 . 1 1 95 95 LYS CA C 95 56.036 56.036 57.669 -1.633 19538 8750 1 15 . 1 1 95 95 LYS CB C 95 33.113 33.113 32.494 0.619 19538 8751 1 15 . 1 1 96 96 GLN N N 96 118.641 118.641 118.468 0.173 19538 8752 1 15 . 1 1 96 96 GLN HA H 96 4.140 4.140 4.422 -0.282 19538 8753 1 15 . 1 1 96 96 GLN CA C 96 56.338 56.338 55.311 1.027 19538 8754 1 15 . 1 1 96 96 GLN CB C 96 28.958 28.958 29.216 -0.258 19538 8755 1 15 . 1 1 96 96 GLN H H 96 8.335 8.335 8.032 0.303 19538 8756 1 15 . 1 1 97 97 ASN N N 97 116.545 116.545 118.455 -1.910 19538 8757 1 15 . 1 1 97 97 ASN HA H 97 4.511 4.511 4.294 0.217 19538 8758 1 15 . 1 1 97 97 ASN CA C 97 53.163 53.163 53.099 0.064 19538 8759 1 15 . 1 1 97 97 ASN CB C 97 38.370 38.370 38.938 -0.568 19538 8760 1 15 . 1 1 97 97 ASN H H 97 8.199 8.199 7.713 0.486 19538 8761 1 15 . 1 1 98 98 TYR N N 98 119.134 119.134 122.160 -3.026 19538 8762 1 15 . 1 1 98 98 TYR HA H 98 4.482 4.482 4.328 0.154 19538 8763 1 15 . 1 1 98 98 TYR CA C 98 57.458 57.458 59.846 -2.388 19538 8764 1 15 . 1 1 98 98 TYR CB C 98 38.539 38.539 38.193 0.346 19538 8765 1 15 . 1 1 98 98 TYR H H 98 7.918 7.918 7.793 0.125 19538 8766 1 15 . 1 1 99 99 GLN N N 99 119.975 119.975 118.241 1.734 19538 8767 1 15 . 1 1 99 99 GLN HA H 99 4.440 4.440 4.723 -0.283 19538 8768 1 15 . 1 1 99 99 GLN CA C 99 53.092 53.092 52.972 0.120 19538 8769 1 15 . 1 1 99 99 GLN CB C 99 27.891 27.891 29.463 -1.572 19538 8770 1 15 . 1 1 99 99 GLN H H 99 7.992 7.992 7.942 0.050 19538 8771 1 15 . 1 1 100 100 PRO HA H 100 4.294 4.294 4.324 -0.030 19538 8772 1 15 . 1 1 100 100 PRO CA C 100 62.415 62.415 62.098 0.317 19538 8773 1 15 . 1 1 100 100 PRO CB C 100 32.538 32.538 31.963 0.575 19538 8774 1 15 . 1 1 101 101 ASP N N 101 120.964 120.964 121.182 -0.218 19538 8775 1 15 . 1 1 101 101 ASP HA H 101 4.654 4.654 4.544 0.110 19538 8776 1 15 . 1 1 101 101 ASP CA C 101 52.845 52.845 53.951 -1.106 19538 8777 1 15 . 1 1 101 101 ASP CB C 101 42.316 42.316 41.949 0.367 19538 8778 1 15 . 1 1 101 101 ASP H H 101 8.225 8.225 8.397 -0.172 19538 8779 1 15 . 1 1 102 102 PHE N N 102 122.913 122.913 120.815 2.098 19538 8780 1 15 . 1 1 102 102 PHE HA H 102 4.642 4.642 4.540 0.102 19538 8781 1 15 . 1 1 102 102 PHE CA C 102 57.341 57.341 58.294 -0.953 19538 8782 1 15 . 1 1 102 102 PHE CB C 102 38.576 38.576 38.047 0.529 19538 8783 1 15 . 1 1 102 102 PHE H H 102 9.014 9.014 8.445 0.569 19538 8784 1 15 . 1 1 103 103 ILE N N 103 117.131 117.131 124.001 -6.870 19538 8785 1 15 . 1 1 103 103 ILE HA H 103 4.464 4.464 3.762 0.702 19538 8786 1 15 . 1 1 103 103 ILE CA C 103 60.346 60.346 64.105 -3.759 19538 8787 1 15 . 1 1 103 103 ILE CB C 103 39.243 39.243 38.426 0.817 19538 8788 1 15 . 1 1 103 103 ILE H H 103 8.765 8.765 8.510 0.255 19538 8789 1 15 . 1 1 104 104 ASN N N 104 117.264 117.264 115.729 1.535 19538 8790 1 15 . 1 1 104 104 ASN HA H 104 4.913 4.913 5.228 -0.315 19538 8791 1 15 . 1 1 104 104 ASN CA C 104 52.710 52.710 52.655 0.055 19538 8792 1 15 . 1 1 104 104 ASN CB C 104 41.361 41.361 42.438 -1.077 19538 8793 1 15 . 1 1 104 104 ASN H H 104 7.441 7.441 8.232 -0.791 19538 8794 1 15 . 1 1 105 105 MET N N 105 125.685 125.685 121.380 4.305 19538 8795 1 15 . 1 1 105 105 MET HA H 105 5.484 5.484 5.392 0.092 19538 8796 1 15 . 1 1 105 105 MET CA C 105 56.071 56.071 55.095 0.976 19538 8797 1 15 . 1 1 105 105 MET CB C 105 34.514 34.514 35.296 -0.782 19538 8798 1 15 . 1 1 105 105 MET H H 105 9.244 9.244 9.341 -0.097 19538 8799 1 15 . 1 1 106 106 TYR N N 106 125.856 125.856 120.589 5.267 19538 8800 1 15 . 1 1 106 106 TYR HA H 106 5.438 5.438 5.416 0.022 19538 8801 1 15 . 1 1 106 106 TYR CA C 106 54.552 54.552 55.312 -0.760 19538 8802 1 15 . 1 1 106 106 TYR CB C 106 40.104 40.104 41.138 -1.034 19538 8803 1 15 . 1 1 106 106 TYR H H 106 8.893 8.893 8.787 0.106 19538 8804 1 15 . 1 1 107 107 VAL N N 107 117.033 117.033 119.636 -2.603 19538 8805 1 15 . 1 1 107 107 VAL HA H 107 4.957 4.957 4.495 0.462 19538 8806 1 15 . 1 1 107 107 VAL CA C 107 60.008 60.008 61.126 -1.118 19538 8807 1 15 . 1 1 107 107 VAL CB C 107 35.319 35.319 34.300 1.019 19538 8808 1 15 . 1 1 107 107 VAL H H 107 9.041 9.041 9.305 -0.264 19538 8809 1 15 . 1 1 108 108 ASP N N 108 129.995 129.995 128.198 1.797 19538 8810 1 15 . 1 1 108 108 ASP HA H 108 5.240 5.240 4.909 0.331 19538 8811 1 15 . 1 1 108 108 ASP CA C 108 52.975 52.975 51.968 1.007 19538 8812 1 15 . 1 1 108 108 ASP CB C 108 42.245 42.245 42.193 0.052 19538 8813 1 15 . 1 1 108 108 ASP H H 108 9.382 9.382 9.328 0.054 19538 8814 1 15 . 1 1 109 109 VAL N N 109 129.641 129.641 126.286 3.355 19538 8815 1 15 . 1 1 109 109 VAL HA H 109 4.464 4.464 4.452 0.012 19538 8816 1 15 . 1 1 109 109 VAL CA C 109 58.694 58.694 58.362 0.332 19538 8817 1 15 . 1 1 109 109 VAL CB C 109 33.061 33.061 33.767 -0.706 19538 8818 1 15 . 1 1 109 109 VAL H H 109 9.181 9.181 8.186 0.995 19538 8819 1 15 . 1 1 110 110 PRO HA H 110 4.288 4.288 4.380 -0.092 19538 8820 1 15 . 1 1 110 110 PRO CA C 110 64.107 64.107 63.997 0.110 19538 8821 1 15 . 1 1 110 110 PRO CB C 110 31.557 31.557 32.145 -0.588 19538 8822 1 15 . 1 1 111 111 GLY N N 111 112.873 112.873 110.768 2.105 19538 8823 1 15 . 1 1 111 111 GLY CA C 111 44.872 44.872 45.292 -0.420 19538 8824 1 15 . 1 1 111 111 GLY H H 111 8.839 8.839 8.745 0.094 19538 8825 1 15 . 1 1 112 112 GLU N N 112 118.157 118.157 119.406 -1.249 19538 8826 1 15 . 1 1 112 112 GLU HA H 112 4.858 4.858 4.662 0.196 19538 8827 1 15 . 1 1 112 112 GLU CA C 112 52.732 52.732 54.905 -2.173 19538 8828 1 15 . 1 1 112 112 GLU CB C 112 31.513 31.513 32.146 -0.633 19538 8829 1 15 . 1 1 112 112 GLU H H 112 8.136 8.136 7.626 0.510 19538 8830 1 15 . 1 1 113 113 LYS N N 113 121.944 121.944 121.334 0.610 19538 8831 1 15 . 1 1 113 113 LYS HA H 113 4.208 4.208 4.329 -0.121 19538 8832 1 15 . 1 1 113 113 LYS CA C 113 55.810 55.810 56.013 -0.203 19538 8833 1 15 . 1 1 113 113 LYS CB C 113 32.157 32.157 32.736 -0.579 19538 8834 1 15 . 1 1 113 113 LYS H H 113 8.847 8.847 8.413 0.434 19538 8835 1 15 . 1 1 114 114 ARG N N 114 126.520 126.520 120.063 6.457 19538 8836 1 15 . 1 1 114 114 ARG HA H 114 4.064 4.064 4.231 -0.167 19538 8837 1 15 . 1 1 114 114 ARG CA C 114 57.914 57.914 56.254 1.660 19538 8838 1 15 . 1 1 114 114 ARG CB C 114 30.627 30.627 30.822 -0.195 19538 8839 1 15 . 1 1 114 114 ARG H H 114 8.539 8.539 8.262 0.277 19538 8840 1 15 . 1 1 115 115 TYR N N 115 128.478 128.478 126.175 2.303 19538 8841 1 15 . 1 1 115 115 TYR HA H 115 4.671 4.671 4.910 -0.239 19538 8842 1 15 . 1 1 115 115 TYR CA C 115 56.519 56.519 57.301 -0.782 19538 8843 1 15 . 1 1 115 115 TYR CB C 115 40.193 40.193 42.083 -1.890 19538 8844 1 15 . 1 1 115 115 TYR H H 115 8.333 8.333 8.357 -0.024 19538 8845 1 15 . 1 1 116 116 TYR N N 116 127.101 127.101 127.673 -0.572 19538 8846 1 15 . 1 1 116 116 TYR HA H 116 4.553 4.553 4.770 -0.217 19538 8847 1 15 . 1 1 116 116 TYR CA C 116 58.502 58.502 57.639 0.863 19538 8848 1 15 . 1 1 116 116 TYR CB C 116 38.842 38.842 37.654 1.188 19538 8849 1 15 . 1 1 116 116 TYR H H 116 8.740 8.740 8.717 0.023 19538 8850 1 15 . 1 1 117 117 LEU N N 117 125.574 125.574 123.822 1.752 19538 8851 1 15 . 1 1 117 117 LEU HA H 117 4.394 4.394 4.277 0.117 19538 8852 1 15 . 1 1 117 117 LEU CA C 117 57.384 57.384 56.680 0.704 19538 8853 1 15 . 1 1 117 117 LEU CB C 117 43.272 43.272 43.045 0.227 19538 8854 1 15 . 1 1 117 117 LEU H H 117 8.427 8.427 8.445 -0.018 19538 8855 1 15 . 1 1 118 118 ILE N N 118 118.478 118.478 118.941 -0.463 19538 8856 1 15 . 1 1 118 118 ILE HA H 118 4.199 4.199 4.267 -0.068 19538 8857 1 15 . 1 1 118 118 ILE CA C 118 60.074 60.074 60.225 -0.151 19538 8858 1 15 . 1 1 118 118 ILE CB C 118 40.895 40.895 40.015 0.880 19538 8859 1 15 . 1 1 118 118 ILE H H 118 7.983 7.983 8.541 -0.558 19538 8860 1 15 . 1 1 119 119 LYS N N 119 127.589 127.589 128.438 -0.849 19538 8861 1 15 . 1 1 119 119 LYS HA H 119 4.778 4.778 4.717 0.061 19538 8862 1 15 . 1 1 119 119 LYS CA C 119 53.232 53.232 53.156 0.076 19538 8863 1 15 . 1 1 119 119 LYS CB C 119 32.581 32.581 31.171 1.410 19538 8864 1 15 . 1 1 119 119 LYS H H 119 8.550 8.550 8.592 -0.042 19538 8865 1 15 . 1 1 120 120 PRO HA H 120 4.534 4.534 4.771 -0.237 19538 8866 1 15 . 1 1 120 120 PRO CA C 120 62.395 62.395 61.894 0.501 19538 8867 1 15 . 1 1 120 120 PRO CB C 120 32.059 32.059 32.561 -0.502 19538 8868 1 15 . 1 1 121 121 LYS N N 121 122.191 122.191 118.077 4.114 19538 8869 1 15 . 1 1 121 121 LYS HA H 121 4.136 4.136 4.053 0.083 19538 8870 1 15 . 1 1 121 121 LYS CA C 121 55.840 55.840 57.011 -1.171 19538 8871 1 15 . 1 1 121 121 LYS CB C 121 33.162 33.162 31.774 1.388 19538 8872 1 15 . 1 1 121 121 LYS H H 121 8.406 8.406 8.545 -0.139 19538 8873 1 15 . 1 1 122 122 LEU N N 122 122.972 122.972 116.528 6.444 19538 8874 1 15 . 1 1 122 122 LEU HA H 122 4.219 4.219 3.880 0.339 19538 8875 1 15 . 1 1 122 122 LEU CA C 122 54.494 54.494 56.333 -1.839 19538 8876 1 15 . 1 1 122 122 LEU CB C 122 41.990 41.990 40.121 1.869 19538 8877 1 15 . 1 1 122 122 LEU H H 122 8.158 8.158 7.950 0.208 19538 8878 1 15 . 1 1 123 123 HIS N N 123 121.608 121.608 119.088 2.520 19538 8879 1 15 . 1 1 123 123 HIS HA H 123 4.776 4.776 4.774 0.002 19538 8880 1 15 . 1 1 123 123 HIS CA C 123 53.651 53.651 53.857 -0.206 19538 8881 1 15 . 1 1 123 123 HIS CB C 123 30.145 30.145 30.197 -0.052 19538 8882 1 15 . 1 1 123 123 HIS H H 123 8.172 8.172 8.192 -0.020 19538 8883 1 15 . 1 1 124 124 PRO HA H 124 4.085 4.085 4.422 -0.337 19538 8884 1 15 . 1 1 124 124 PRO CA C 124 62.119 62.119 63.720 -1.601 19538 8885 1 15 . 1 1 124 124 PRO CB C 124 33.900 33.900 30.000 3.900 19538 8886 1 15 . 1 1 125 125 VAL N N 125 120.758 120.758 114.727 6.031 19538 8887 1 15 . 1 1 125 125 VAL HA H 125 4.085 4.085 3.623 0.462 19538 8888 1 15 . 1 1 125 125 VAL CA C 125 61.791 61.791 64.191 -2.400 19538 8889 1 15 . 1 1 125 125 VAL CB C 125 32.635 32.635 29.710 2.925 19538 8890 1 15 . 1 1 125 125 VAL H H 125 8.361 8.361 8.775 -0.414 19538 8891 1 15 . 1 1 126 126 SER N N 126 119.450 119.450 113.847 5.603 19538 8892 1 15 . 1 1 126 126 SER HA H 126 4.417 4.417 4.729 -0.312 19538 8893 1 15 . 1 1 126 126 SER CA C 126 57.522 57.522 57.478 0.044 19538 8894 1 15 . 1 1 126 126 SER CB C 126 63.634 63.634 66.479 -2.845 19538 8895 1 15 . 1 1 126 126 SER H H 126 8.323 8.323 7.644 0.679 19538 8896 1 16 . 1 1 2 2 ALA N N 2 122.815 122.815 122.529 0.286 19538 8897 1 16 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.281 0.012 19538 8898 1 16 . 1 1 2 2 ALA CA C 2 52.085 52.085 53.331 -1.246 19538 8899 1 16 . 1 1 2 2 ALA CB C 2 19.067 19.067 19.253 -0.186 19538 8900 1 16 . 1 1 2 2 ALA H H 2 8.102 8.102 8.682 -0.580 19538 8901 1 16 . 1 1 3 3 MET N N 3 119.897 119.897 114.749 5.148 19538 8902 1 16 . 1 1 3 3 MET HA H 3 4.401 4.401 4.108 0.293 19538 8903 1 16 . 1 1 3 3 MET CA C 3 55.339 55.339 56.744 -1.405 19538 8904 1 16 . 1 1 3 3 MET CB C 3 32.938 32.938 30.533 2.405 19538 8905 1 16 . 1 1 3 3 MET H H 3 8.501 8.501 8.443 0.058 19538 8906 1 16 . 1 1 4 4 GLY N N 4 110.174 110.174 105.875 4.299 19538 8907 1 16 . 1 1 4 4 GLY CA C 4 44.706 44.706 44.890 -0.184 19538 8908 1 16 . 1 1 4 4 GLY H H 4 8.498 8.498 8.574 -0.076 19538 8909 1 16 . 1 1 5 5 SER HA H 5 4.368 4.368 4.282 0.086 19538 8910 1 16 . 1 1 5 5 SER CA C 5 58.467 58.467 59.528 -1.061 19538 8911 1 16 . 1 1 5 5 SER CB C 5 63.530 63.530 62.930 0.600 19538 8912 1 16 . 1 1 6 6 GLY CA C 6 45.983 45.983 47.607 -1.624 19538 8913 1 16 . 1 1 7 7 ASP N N 7 122.649 122.649 120.879 1.770 19538 8914 1 16 . 1 1 7 7 ASP HA H 7 4.375 4.375 4.576 -0.201 19538 8915 1 16 . 1 1 7 7 ASP CA C 7 56.523 56.523 57.149 -0.626 19538 8916 1 16 . 1 1 7 7 ASP CB C 7 40.235 40.235 39.355 0.880 19538 8917 1 16 . 1 1 7 7 ASP H H 7 8.457 8.457 7.900 0.557 19538 8918 1 16 . 1 1 8 8 THR N N 8 116.751 116.751 117.217 -0.466 19538 8919 1 16 . 1 1 8 8 THR HA H 8 3.853 3.853 4.068 -0.215 19538 8920 1 16 . 1 1 8 8 THR CA C 8 66.104 66.104 67.265 -1.161 19538 8921 1 16 . 1 1 8 8 THR CB C 8 68.047 68.047 68.553 -0.506 19538 8922 1 16 . 1 1 8 8 THR H H 8 8.128 8.128 8.141 -0.013 19538 8923 1 16 . 1 1 9 9 GLN N N 9 120.186 120.186 121.717 -1.531 19538 8924 1 16 . 1 1 9 9 GLN HA H 9 4.038 4.038 4.129 -0.091 19538 8925 1 16 . 1 1 9 9 GLN CA C 9 58.699 58.699 59.241 -0.542 19538 8926 1 16 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.602 -0.501 19538 8927 1 16 . 1 1 9 9 GLN H H 9 7.831 7.831 8.980 -1.149 19538 8928 1 16 . 1 1 10 10 LEU N N 10 120.735 120.735 120.513 0.222 19538 8929 1 16 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.164 -0.247 19538 8930 1 16 . 1 1 10 10 LEU CA C 10 58.126 58.126 58.115 0.010 19538 8931 1 16 . 1 1 10 10 LEU CB C 10 41.935 41.935 41.054 0.881 19538 8932 1 16 . 1 1 10 10 LEU H H 10 7.670 7.670 9.047 -1.377 19538 8933 1 16 . 1 1 11 11 PHE N N 11 117.802 117.802 121.354 -3.552 19538 8934 1 16 . 1 1 11 11 PHE HA H 11 3.821 3.821 3.911 -0.090 19538 8935 1 16 . 1 1 11 11 PHE CA C 11 60.224 60.224 62.144 -1.920 19538 8936 1 16 . 1 1 11 11 PHE CB C 11 38.798 38.798 38.789 0.009 19538 8937 1 16 . 1 1 11 11 PHE H H 11 7.939 7.939 9.284 -1.345 19538 8938 1 16 . 1 1 12 12 ASN N N 12 117.152 117.152 118.477 -1.325 19538 8939 1 16 . 1 1 12 12 ASN HA H 12 3.868 3.868 4.053 -0.185 19538 8940 1 16 . 1 1 12 12 ASN CA C 12 55.410 55.410 56.713 -1.303 19538 8941 1 16 . 1 1 12 12 ASN CB C 12 37.188 37.188 38.147 -0.959 19538 8942 1 16 . 1 1 12 12 ASN H H 12 8.562 8.562 8.897 -0.335 19538 8943 1 16 . 1 1 13 13 ARG N N 13 119.825 119.825 120.628 -0.803 19538 8944 1 16 . 1 1 13 13 ARG HA H 13 3.914 3.914 4.039 -0.125 19538 8945 1 16 . 1 1 13 13 ARG CA C 13 58.623 58.623 59.568 -0.945 19538 8946 1 16 . 1 1 13 13 ARG CB C 13 31.719 31.719 30.289 1.430 19538 8947 1 16 . 1 1 13 13 ARG H H 13 8.006 8.006 8.671 -0.665 19538 8948 1 16 . 1 1 14 14 ALA N N 14 122.749 122.749 122.923 -0.174 19538 8949 1 16 . 1 1 14 14 ALA HA H 14 3.938 3.938 4.003 -0.065 19538 8950 1 16 . 1 1 14 14 ALA CA C 14 54.976 54.976 55.150 -0.174 19538 8951 1 16 . 1 1 14 14 ALA CB C 14 19.446 19.446 18.701 0.745 19538 8952 1 16 . 1 1 14 14 ALA H H 14 8.163 8.163 8.679 -0.516 19538 8953 1 16 . 1 1 15 15 VAL N N 15 118.460 118.460 118.482 -0.022 19538 8954 1 16 . 1 1 15 15 VAL HA H 15 3.219 3.219 3.706 -0.487 19538 8955 1 16 . 1 1 15 15 VAL CA C 15 66.611 66.611 65.811 0.800 19538 8956 1 16 . 1 1 15 15 VAL CB C 15 30.889 30.889 30.905 -0.016 19538 8957 1 16 . 1 1 15 15 VAL H H 15 8.718 8.718 8.604 0.114 19538 8958 1 16 . 1 1 16 16 SER N N 16 113.102 113.102 116.187 -3.085 19538 8959 1 16 . 1 1 16 16 SER HA H 16 4.144 4.144 4.183 -0.039 19538 8960 1 16 . 1 1 16 16 SER CA C 16 60.888 60.888 61.604 -0.716 19538 8961 1 16 . 1 1 16 16 SER CB C 16 62.503 62.503 62.958 -0.455 19538 8962 1 16 . 1 1 16 16 SER H H 16 7.243 7.243 8.273 -1.030 19538 8963 1 16 . 1 1 17 17 MET N N 17 117.447 117.447 120.400 -2.953 19538 8964 1 16 . 1 1 17 17 MET HA H 17 3.875 3.875 4.063 -0.188 19538 8965 1 16 . 1 1 17 17 MET CA C 17 58.575 58.575 59.270 -0.695 19538 8966 1 16 . 1 1 17 17 MET CB C 17 33.489 33.489 32.706 0.783 19538 8967 1 16 . 1 1 17 17 MET H H 17 7.232 7.232 7.911 -0.679 19538 8968 1 16 . 1 1 18 18 VAL N N 18 117.842 117.842 116.284 1.558 19538 8969 1 16 . 1 1 18 18 VAL HA H 18 3.357 3.357 3.789 -0.432 19538 8970 1 16 . 1 1 18 18 VAL CA C 18 66.065 66.065 65.676 0.389 19538 8971 1 16 . 1 1 18 18 VAL CB C 18 31.686 31.686 30.763 0.923 19538 8972 1 16 . 1 1 18 18 VAL H H 18 7.678 7.678 7.749 -0.071 19538 8973 1 16 . 1 1 19 19 GLU N N 19 113.150 113.150 118.532 -5.382 19538 8974 1 16 . 1 1 19 19 GLU HA H 19 3.618 3.618 4.049 -0.431 19538 8975 1 16 . 1 1 19 19 GLU CA C 19 58.198 58.198 59.065 -0.867 19538 8976 1 16 . 1 1 19 19 GLU CB C 19 29.786 29.786 29.930 -0.145 19538 8977 1 16 . 1 1 19 19 GLU H H 19 8.378 8.378 8.457 -0.079 19538 8978 1 16 . 1 1 20 20 LYS N N 20 114.076 114.076 114.627 -0.551 19538 8979 1 16 . 1 1 20 20 LYS HA H 20 4.243 4.243 4.325 -0.082 19538 8980 1 16 . 1 1 20 20 LYS CA C 20 55.725 55.725 55.020 0.705 19538 8981 1 16 . 1 1 20 20 LYS CB C 20 33.032 33.032 32.632 0.401 19538 8982 1 16 . 1 1 20 20 LYS H H 20 7.072 7.072 8.017 -0.945 19538 8983 1 16 . 1 1 21 21 ASN N N 21 121.025 121.025 120.911 0.114 19538 8984 1 16 . 1 1 21 21 ASN HA H 21 4.555 4.555 4.521 0.034 19538 8985 1 16 . 1 1 21 21 ASN CA C 21 53.766 53.766 53.202 0.564 19538 8986 1 16 . 1 1 21 21 ASN CB C 21 39.835 39.835 39.508 0.327 19538 8987 1 16 . 1 1 21 21 ASN H H 21 7.230 7.230 7.907 -0.677 19538 8988 1 16 . 1 1 22 22 LYS N N 22 128.112 128.112 127.136 0.976 19538 8989 1 16 . 1 1 22 22 LYS HA H 22 3.698 3.698 3.925 -0.227 19538 8990 1 16 . 1 1 22 22 LYS CA C 22 59.519 59.519 59.934 -0.415 19538 8991 1 16 . 1 1 22 22 LYS CB C 22 32.140 32.140 31.512 0.628 19538 8992 1 16 . 1 1 22 22 LYS H H 22 8.846 8.846 8.813 0.033 19538 8993 1 16 . 1 1 23 23 ASP N N 23 120.250 120.250 121.260 -1.010 19538 8994 1 16 . 1 1 23 23 ASP HA H 23 4.297 4.297 4.326 -0.029 19538 8995 1 16 . 1 1 23 23 ASP CA C 23 56.787 56.787 57.358 -0.572 19538 8996 1 16 . 1 1 23 23 ASP CB C 23 39.444 39.444 40.261 -0.817 19538 8997 1 16 . 1 1 23 23 ASP H H 23 7.731 7.731 7.728 0.003 19538 8998 1 16 . 1 1 24 24 ILE N N 24 121.988 121.988 121.028 0.960 19538 8999 1 16 . 1 1 24 24 ILE HA H 24 3.219 3.219 3.277 -0.058 19538 9000 1 16 . 1 1 24 24 ILE CA C 24 63.375 63.375 65.641 -2.266 19538 9001 1 16 . 1 1 24 24 ILE CB C 24 35.424 35.424 37.626 -2.202 19538 9002 1 16 . 1 1 24 24 ILE H H 24 8.431 8.431 9.152 -0.721 19538 9003 1 16 . 1 1 25 25 ARG N N 25 118.181 118.181 120.372 -2.191 19538 9004 1 16 . 1 1 25 25 ARG HA H 25 3.810 3.810 3.923 -0.113 19538 9005 1 16 . 1 1 25 25 ARG CA C 25 60.546 60.546 60.110 0.436 19538 9006 1 16 . 1 1 25 25 ARG CB C 25 30.205 30.205 29.954 0.251 19538 9007 1 16 . 1 1 25 25 ARG H H 25 8.206 8.206 8.881 -0.675 19538 9008 1 16 . 1 1 26 26 SER N N 26 112.549 112.549 116.119 -3.570 19538 9009 1 16 . 1 1 26 26 SER HA H 26 4.373 4.373 4.172 0.201 19538 9010 1 16 . 1 1 26 26 SER CA C 26 61.040 61.040 62.320 -1.280 19538 9011 1 16 . 1 1 26 26 SER CB C 26 62.096 62.096 62.847 -0.751 19538 9012 1 16 . 1 1 26 26 SER H H 26 7.518 7.518 8.236 -0.718 19538 9013 1 16 . 1 1 27 27 LEU N N 27 125.275 125.275 122.469 2.806 19538 9014 1 16 . 1 1 27 27 LEU HA H 27 4.013 4.013 4.044 -0.031 19538 9015 1 16 . 1 1 27 27 LEU CA C 27 57.652 57.652 57.373 0.279 19538 9016 1 16 . 1 1 27 27 LEU CB C 27 42.548 42.548 41.916 0.631 19538 9017 1 16 . 1 1 27 27 LEU H H 27 8.050 8.050 7.830 0.221 19538 9018 1 16 . 1 1 28 28 LEU N N 28 114.725 114.725 113.379 1.346 19538 9019 1 16 . 1 1 28 28 LEU HA H 28 3.863 3.863 4.216 -0.353 19538 9020 1 16 . 1 1 28 28 LEU CA C 28 54.299 54.299 54.838 -0.539 19538 9021 1 16 . 1 1 28 28 LEU CB C 28 42.874 42.874 41.794 1.080 19538 9022 1 16 . 1 1 28 28 LEU H H 28 8.010 8.010 8.397 -0.387 19538 9023 1 16 . 1 1 29 29 GLN N N 29 116.444 116.444 114.430 2.014 19538 9024 1 16 . 1 1 29 29 GLN HA H 29 3.854 3.854 4.060 -0.206 19538 9025 1 16 . 1 1 29 29 GLN CA C 29 55.652 55.652 56.980 -1.329 19538 9026 1 16 . 1 1 29 29 GLN CB C 29 25.300 25.300 25.432 -0.132 19538 9027 1 16 . 1 1 29 29 GLN H H 29 7.972 7.972 8.144 -0.172 19538 9028 1 16 . 1 1 30 30 CYS N N 30 116.363 116.363 119.689 -3.326 19538 9029 1 16 . 1 1 30 30 CYS HA H 30 4.133 4.133 4.223 -0.090 19538 9030 1 16 . 1 1 30 30 CYS CA C 30 61.559 61.559 60.524 1.035 19538 9031 1 16 . 1 1 30 30 CYS CB C 30 27.701 27.701 25.748 1.952 19538 9032 1 16 . 1 1 30 30 CYS H H 30 7.847 7.847 8.912 -1.065 19538 9033 1 16 . 1 1 31 31 ASP N N 31 125.091 125.091 125.660 -0.569 19538 9034 1 16 . 1 1 31 31 ASP HA H 31 4.598 4.598 4.823 -0.225 19538 9035 1 16 . 1 1 31 31 ASP CA C 31 52.428 52.428 53.682 -1.254 19538 9036 1 16 . 1 1 31 31 ASP CB C 31 39.156 39.156 40.821 -1.665 19538 9037 1 16 . 1 1 31 31 ASP H H 31 9.918 9.918 8.755 1.163 19538 9038 1 16 . 1 1 32 32 ASP N N 32 124.593 124.593 120.517 4.076 19538 9039 1 16 . 1 1 32 32 ASP HA H 32 5.131 5.131 4.170 0.961 19538 9040 1 16 . 1 1 32 32 ASP CA C 32 52.190 52.190 56.567 -4.377 19538 9041 1 16 . 1 1 32 32 ASP CB C 32 41.542 41.542 40.497 1.045 19538 9042 1 16 . 1 1 32 32 ASP H H 32 7.532 7.532 7.775 -0.243 19538 9043 1 16 . 1 1 33 33 GLY N N 33 109.888 109.888 113.227 -3.339 19538 9044 1 16 . 1 1 33 33 GLY CA C 33 44.840 44.840 45.075 -0.235 19538 9045 1 16 . 1 1 33 33 GLY H H 33 7.912 7.912 8.959 -1.047 19538 9046 1 16 . 1 1 34 34 ILE HA H 34 3.978 3.978 3.955 0.023 19538 9047 1 16 . 1 1 34 34 ILE CA C 34 63.210 63.210 63.992 -0.782 19538 9048 1 16 . 1 1 34 34 ILE CB C 34 38.027 38.027 38.693 -0.666 19538 9049 1 16 . 1 1 35 35 THR N N 35 109.823 109.823 110.417 -0.594 19538 9050 1 16 . 1 1 35 35 THR HA H 35 4.291 4.291 4.519 -0.228 19538 9051 1 16 . 1 1 35 35 THR CA C 35 61.511 61.511 61.007 0.505 19538 9052 1 16 . 1 1 35 35 THR CB C 35 68.374 68.374 68.736 -0.362 19538 9053 1 16 . 1 1 35 35 THR H H 35 7.995 7.995 8.078 -0.083 19538 9054 1 16 . 1 1 36 36 GLY N N 36 109.916 109.916 110.029 -0.113 19538 9055 1 16 . 1 1 36 36 GLY CA C 36 44.282 44.282 44.879 -0.597 19538 9056 1 16 . 1 1 36 36 GLY H H 36 7.564 7.564 7.407 0.157 19538 9057 1 16 . 1 1 37 37 LYS N N 37 119.833 119.833 121.840 -2.007 19538 9058 1 16 . 1 1 37 37 LYS HA H 37 4.442 4.442 4.624 -0.182 19538 9059 1 16 . 1 1 37 37 LYS CA C 37 54.520 54.520 55.157 -0.637 19538 9060 1 16 . 1 1 37 37 LYS CB C 37 33.208 33.208 34.069 -0.861 19538 9061 1 16 . 1 1 37 37 LYS H H 37 8.236 8.236 8.347 -0.111 19538 9062 1 16 . 1 1 38 38 GLU N N 38 125.697 125.697 123.219 2.478 19538 9063 1 16 . 1 1 38 38 GLU HA H 38 3.907 3.907 4.388 -0.481 19538 9064 1 16 . 1 1 38 38 GLU CA C 38 56.731 56.731 55.552 1.179 19538 9065 1 16 . 1 1 38 38 GLU CB C 38 29.779 29.779 31.908 -2.129 19538 9066 1 16 . 1 1 38 38 GLU H H 38 8.175 8.175 8.707 -0.532 19538 9067 1 16 . 1 1 39 39 ARG N N 39 128.738 128.738 121.824 6.914 19538 9068 1 16 . 1 1 39 39 ARG HA H 39 4.260 4.260 4.479 -0.219 19538 9069 1 16 . 1 1 39 39 ARG CA C 39 55.343 55.343 55.259 0.084 19538 9070 1 16 . 1 1 39 39 ARG CB C 39 29.529 29.529 30.451 -0.922 19538 9071 1 16 . 1 1 39 39 ARG H H 39 8.920 8.920 8.496 0.424 19538 9072 1 16 . 1 1 40 40 LEU N N 40 127.659 127.659 124.367 3.292 19538 9073 1 16 . 1 1 40 40 LEU HA H 40 4.488 4.488 4.533 -0.045 19538 9074 1 16 . 1 1 40 40 LEU CA C 40 53.848 53.848 55.004 -1.155 19538 9075 1 16 . 1 1 40 40 LEU CB C 40 42.333 42.333 42.871 -0.538 19538 9076 1 16 . 1 1 40 40 LEU H H 40 8.670 8.670 8.439 0.231 19538 9077 1 16 . 1 1 41 41 LYS N N 41 121.136 121.136 121.980 -0.844 19538 9078 1 16 . 1 1 41 41 LYS HA H 41 4.647 4.647 4.637 0.010 19538 9079 1 16 . 1 1 41 41 LYS CA C 41 55.062 55.062 54.773 0.289 19538 9080 1 16 . 1 1 41 41 LYS CB C 41 35.064 35.064 36.482 -1.418 19538 9081 1 16 . 1 1 41 41 LYS H H 41 8.273 8.273 8.218 0.055 19538 9082 1 16 . 1 1 42 42 ALA N N 42 123.758 123.758 125.596 -1.838 19538 9083 1 16 . 1 1 42 42 ALA HA H 42 5.605 5.605 5.089 0.516 19538 9084 1 16 . 1 1 42 42 ALA CA C 42 50.529 50.529 51.059 -0.530 19538 9085 1 16 . 1 1 42 42 ALA CB C 42 22.577 22.577 22.158 0.419 19538 9086 1 16 . 1 1 42 42 ALA H H 42 8.488 8.488 8.362 0.126 19538 9087 1 16 . 1 1 43 43 TYR N N 43 116.716 116.716 119.541 -2.825 19538 9088 1 16 . 1 1 43 43 TYR HA H 43 4.758 4.758 4.811 -0.053 19538 9089 1 16 . 1 1 43 43 TYR CA C 43 55.975 55.975 55.879 0.096 19538 9090 1 16 . 1 1 43 43 TYR CB C 43 38.409 38.409 39.228 -0.819 19538 9091 1 16 . 1 1 43 43 TYR H H 43 8.123 8.123 9.244 -1.121 19538 9092 1 16 . 1 1 44 44 GLY N N 44 106.591 106.591 106.681 -0.090 19538 9093 1 16 . 1 1 44 44 GLY CA C 44 45.172 45.172 44.918 0.254 19538 9094 1 16 . 1 1 44 44 GLY H H 44 8.663 8.663 8.791 -0.128 19538 9095 1 16 . 1 1 45 45 GLU N N 45 118.850 118.850 121.794 -2.944 19538 9096 1 16 . 1 1 45 45 GLU HA H 45 4.310 4.310 4.031 0.279 19538 9097 1 16 . 1 1 45 45 GLU CA C 45 56.286 56.286 57.871 -1.585 19538 9098 1 16 . 1 1 45 45 GLU CB C 45 31.304 31.304 28.567 2.737 19538 9099 1 16 . 1 1 45 45 GLU H H 45 8.287 8.287 8.417 -0.130 19538 9100 1 16 . 1 1 46 46 LEU N N 46 124.692 124.692 122.211 2.481 19538 9101 1 16 . 1 1 46 46 LEU HA H 46 4.361 4.361 3.781 0.580 19538 9102 1 16 . 1 1 46 46 LEU CA C 46 54.967 54.967 57.254 -2.287 19538 9103 1 16 . 1 1 46 46 LEU CB C 46 41.980 41.980 41.610 0.370 19538 9104 1 16 . 1 1 46 46 LEU H H 46 9.010 9.010 8.534 0.476 19538 9105 1 16 . 1 1 47 47 ILE N N 47 123.302 123.302 115.824 7.478 19538 9106 1 16 . 1 1 47 47 ILE HA H 47 4.272 4.272 3.860 0.412 19538 9107 1 16 . 1 1 47 47 ILE CA C 47 60.399 60.399 61.203 -0.804 19538 9108 1 16 . 1 1 47 47 ILE CB C 47 38.676 38.676 35.973 2.703 19538 9109 1 16 . 1 1 47 47 ILE H H 47 8.407 8.407 8.122 0.285 19538 9110 1 16 . 1 1 48 48 THR N N 48 117.749 117.749 112.577 5.172 19538 9111 1 16 . 1 1 48 48 THR HA H 48 4.330 4.330 3.890 0.440 19538 9112 1 16 . 1 1 48 48 THR CA C 48 61.234 61.234 65.108 -3.874 19538 9113 1 16 . 1 1 48 48 THR CB C 48 69.327 69.327 68.749 0.578 19538 9114 1 16 . 1 1 48 48 THR H H 48 8.183 8.183 7.746 0.437 19538 9115 1 16 . 1 1 49 49 ASN N N 49 120.102 120.102 116.936 3.166 19538 9116 1 16 . 1 1 49 49 ASN HA H 49 4.585 4.585 4.656 -0.071 19538 9117 1 16 . 1 1 49 49 ASN CA C 49 53.193 53.193 53.323 -0.130 19538 9118 1 16 . 1 1 49 49 ASN CB C 49 38.261 38.261 39.224 -0.963 19538 9119 1 16 . 1 1 49 49 ASN H H 49 8.418 8.418 8.208 0.210 19538 9120 1 16 . 1 1 50 50 ASP N N 50 119.783 119.783 119.560 0.223 19538 9121 1 16 . 1 1 50 50 ASP HA H 50 4.454 4.454 4.534 -0.080 19538 9122 1 16 . 1 1 50 50 ASP CA C 50 53.950 53.950 55.678 -1.728 19538 9123 1 16 . 1 1 50 50 ASP CB C 50 41.231 41.231 41.867 -0.636 19538 9124 1 16 . 1 1 50 50 ASP H H 50 8.096 8.096 8.391 -0.295 19538 9125 1 16 . 1 1 51 51 LYS N N 51 120.547 120.547 118.071 2.476 19538 9126 1 16 . 1 1 51 51 LYS HA H 51 4.017 4.017 4.114 -0.097 19538 9127 1 16 . 1 1 51 51 LYS CA C 51 56.633 56.633 56.254 0.379 19538 9128 1 16 . 1 1 51 51 LYS CB C 51 32.052 32.052 31.740 0.312 19538 9129 1 16 . 1 1 51 51 LYS H H 51 8.173 8.173 8.383 -0.210 19538 9130 1 16 . 1 1 52 52 TRP N N 52 120.062 120.062 120.151 -0.089 19538 9131 1 16 . 1 1 52 52 TRP HA H 52 4.617 4.617 4.821 -0.204 19538 9132 1 16 . 1 1 52 52 TRP CA C 52 57.045 57.045 58.547 -1.502 19538 9133 1 16 . 1 1 52 52 TRP CB C 52 29.251 29.251 29.532 -0.281 19538 9134 1 16 . 1 1 52 52 TRP H H 52 8.094 8.094 7.931 0.163 19538 9135 1 16 . 1 1 53 53 THR N N 53 115.770 115.770 112.911 2.859 19538 9136 1 16 . 1 1 53 53 THR HA H 53 4.262 4.262 4.190 0.072 19538 9137 1 16 . 1 1 53 53 THR CA C 53 61.625 61.625 63.468 -1.843 19538 9138 1 16 . 1 1 53 53 THR CB C 53 69.153 69.153 68.168 0.985 19538 9139 1 16 . 1 1 53 53 THR H H 53 7.789 7.789 8.084 -0.295 19538 9140 1 16 . 1 1 54 54 ARG N N 54 122.136 122.136 118.125 4.011 19538 9141 1 16 . 1 1 54 54 ARG HA H 54 4.133 4.133 4.021 0.112 19538 9142 1 16 . 1 1 54 54 ARG CA C 54 56.038 56.038 58.461 -2.423 19538 9143 1 16 . 1 1 54 54 ARG CB C 54 30.441 30.441 28.495 1.946 19538 9144 1 16 . 1 1 54 54 ARG H H 54 8.191 8.191 8.013 0.178 19538 9145 1 16 . 1 1 55 55 ASN N N 55 117.842 117.842 118.268 -0.426 19538 9146 1 16 . 1 1 55 55 ASN HA H 55 4.713 4.713 4.703 0.010 19538 9147 1 16 . 1 1 55 55 ASN CA C 55 52.873 52.873 52.984 -0.111 19538 9148 1 16 . 1 1 55 55 ASN CB C 55 38.769 38.769 39.944 -1.175 19538 9149 1 16 . 1 1 55 55 ASN H H 55 8.205 8.205 8.573 -0.368 19538 9150 1 16 . 1 1 56 56 ARG N N 56 121.615 121.615 121.394 0.221 19538 9151 1 16 . 1 1 56 56 ARG HA H 56 4.542 4.542 4.839 -0.297 19538 9152 1 16 . 1 1 56 56 ARG CA C 56 53.765 53.765 53.710 0.055 19538 9153 1 16 . 1 1 56 56 ARG CB C 56 30.009 30.009 30.165 -0.156 19538 9154 1 16 . 1 1 56 56 ARG H H 56 8.246 8.246 8.440 -0.194 19538 9155 1 16 . 1 1 57 57 PRO HA H 57 4.273 4.273 4.684 -0.411 19538 9156 1 16 . 1 1 57 57 PRO CA C 57 62.424 62.424 61.670 0.754 19538 9157 1 16 . 1 1 57 57 PRO CB C 57 31.987 31.987 32.999 -1.012 19538 9158 1 16 . 1 1 58 58 ILE N N 58 122.700 122.700 120.286 2.414 19538 9159 1 16 . 1 1 58 58 ILE HA H 58 4.089 4.089 3.989 0.100 19538 9160 1 16 . 1 1 58 58 ILE CA C 58 60.655 60.655 62.428 -1.773 19538 9161 1 16 . 1 1 58 58 ILE CB C 58 37.111 37.111 36.252 0.859 19538 9162 1 16 . 1 1 58 58 ILE H H 58 8.098 8.098 8.219 -0.121 19538 9163 1 16 . 1 1 59 59 VAL N N 59 124.097 124.097 118.361 5.736 19538 9164 1 16 . 1 1 59 59 VAL HA H 59 4.549 4.549 4.521 0.028 19538 9165 1 16 . 1 1 59 59 VAL CA C 59 59.613 59.613 60.148 -0.535 19538 9166 1 16 . 1 1 59 59 VAL CB C 59 34.980 34.980 35.590 -0.610 19538 9167 1 16 . 1 1 59 59 VAL H H 59 8.167 8.167 8.254 -0.087 19538 9168 1 16 . 1 1 60 60 SER N N 60 119.752 119.752 118.255 1.497 19538 9169 1 16 . 1 1 60 60 SER HA H 60 5.136 5.136 4.994 0.142 19538 9170 1 16 . 1 1 60 60 SER CA C 60 56.467 56.467 57.406 -0.939 19538 9171 1 16 . 1 1 60 60 SER CB C 60 64.890 64.890 63.384 1.506 19538 9172 1 16 . 1 1 60 60 SER H H 60 8.592 8.592 8.506 0.086 19538 9173 1 16 . 1 1 61 61 THR N N 61 117.559 117.559 117.625 -0.066 19538 9174 1 16 . 1 1 61 61 THR HA H 61 4.576 4.576 4.222 0.354 19538 9175 1 16 . 1 1 61 61 THR CA C 61 61.348 61.348 62.159 -0.811 19538 9176 1 16 . 1 1 61 61 THR CB C 61 70.276 70.276 68.871 1.405 19538 9177 1 16 . 1 1 61 61 THR H H 61 9.214 9.214 8.583 0.631 19538 9178 1 16 . 1 1 62 62 LYS N N 62 123.743 123.743 127.129 -3.386 19538 9179 1 16 . 1 1 62 62 LYS HA H 62 5.507 5.507 4.394 1.113 19538 9180 1 16 . 1 1 62 62 LYS CA C 62 54.843 54.843 56.371 -1.528 19538 9181 1 16 . 1 1 62 62 LYS CB C 62 35.211 35.211 31.892 3.319 19538 9182 1 16 . 1 1 62 62 LYS H H 62 8.687 8.687 8.189 0.498 19538 9183 1 16 . 1 1 63 63 LYS N N 63 121.218 121.218 125.340 -4.122 19538 9184 1 16 . 1 1 63 63 LYS HA H 63 4.595 4.595 4.511 0.084 19538 9185 1 16 . 1 1 63 63 LYS CA C 63 54.760 54.760 55.378 -0.618 19538 9186 1 16 . 1 1 63 63 LYS CB C 63 36.712 36.712 34.676 2.036 19538 9187 1 16 . 1 1 63 63 LYS H H 63 8.797 8.797 8.483 0.314 19538 9188 1 16 . 1 1 64 64 LEU N N 64 124.605 124.605 127.951 -3.346 19538 9189 1 16 . 1 1 64 64 LEU HA H 64 4.920 4.920 5.190 -0.270 19538 9190 1 16 . 1 1 64 64 LEU CA C 64 53.797 53.797 53.868 -0.071 19538 9191 1 16 . 1 1 64 64 LEU CB C 64 43.553 43.553 42.803 0.750 19538 9192 1 16 . 1 1 64 64 LEU H H 64 8.604 8.604 8.747 -0.143 19538 9193 1 16 . 1 1 65 65 ASP N N 65 122.577 122.577 126.911 -4.334 19538 9194 1 16 . 1 1 65 65 ASP HA H 65 4.664 4.664 4.937 -0.273 19538 9195 1 16 . 1 1 65 65 ASP CA C 65 51.824 51.824 53.216 -1.392 19538 9196 1 16 . 1 1 65 65 ASP CB C 65 41.277 41.277 42.729 -1.452 19538 9197 1 16 . 1 1 65 65 ASP H H 65 8.455 8.455 8.265 0.190 19538 9198 1 16 . 1 1 66 66 LYS N N 66 117.718 117.718 121.094 -3.376 19538 9199 1 16 . 1 1 66 66 LYS HA H 66 4.052 4.052 3.972 0.080 19538 9200 1 16 . 1 1 66 66 LYS CA C 66 58.116 58.116 59.169 -1.053 19538 9201 1 16 . 1 1 66 66 LYS CB C 66 31.677 31.677 31.758 -0.081 19538 9202 1 16 . 1 1 66 66 LYS H H 66 8.339 8.339 8.718 -0.379 19538 9203 1 16 . 1 1 67 67 GLU N N 67 118.253 118.253 119.027 -0.774 19538 9204 1 16 . 1 1 67 67 GLU HA H 67 4.323 4.323 4.213 0.110 19538 9205 1 16 . 1 1 67 67 GLU CA C 67 56.018 56.018 56.694 -0.676 19538 9206 1 16 . 1 1 67 67 GLU CB C 67 29.587 29.587 29.782 -0.195 19538 9207 1 16 . 1 1 67 67 GLU H H 67 8.096 8.096 8.026 0.070 19538 9208 1 16 . 1 1 68 68 GLY N N 68 107.960 107.960 106.081 1.879 19538 9209 1 16 . 1 1 68 68 GLY CA C 68 45.213 45.213 44.966 0.247 19538 9210 1 16 . 1 1 68 68 GLY H H 68 8.168 8.168 8.528 -0.360 19538 9211 1 16 . 1 1 69 69 ARG N N 69 121.436 121.436 119.712 1.724 19538 9212 1 16 . 1 1 69 69 ARG HA H 69 4.482 4.482 4.851 -0.369 19538 9213 1 16 . 1 1 69 69 ARG CA C 69 54.229 54.229 53.402 0.827 19538 9214 1 16 . 1 1 69 69 ARG CB C 69 30.399 30.399 31.550 -1.151 19538 9215 1 16 . 1 1 69 69 ARG H H 69 8.590 8.590 7.588 1.002 19538 9216 1 16 . 1 1 70 70 THR N N 70 120.709 120.709 120.797 -0.088 19538 9217 1 16 . 1 1 70 70 THR HA H 70 4.298 4.298 5.022 -0.725 19538 9218 1 16 . 1 1 70 70 THR CA C 70 64.365 64.365 61.509 2.856 19538 9219 1 16 . 1 1 70 70 THR CB C 70 68.832 68.832 68.767 0.065 19538 9220 1 16 . 1 1 70 70 THR H H 70 8.822 8.822 9.004 -0.182 19538 9221 1 16 . 1 1 71 71 HIS N N 71 127.496 127.496 127.331 0.165 19538 9222 1 16 . 1 1 71 71 HIS HA H 71 5.138 5.138 4.790 0.348 19538 9223 1 16 . 1 1 71 71 HIS CA C 71 53.948 53.948 55.156 -1.208 19538 9224 1 16 . 1 1 71 71 HIS CB C 71 31.791 31.791 31.874 -0.083 19538 9225 1 16 . 1 1 71 71 HIS H H 71 9.384 9.384 9.727 -0.343 19538 9226 1 16 . 1 1 72 72 HIS N N 72 121.684 121.684 127.289 -5.605 19538 9227 1 16 . 1 1 72 72 HIS HA H 72 5.094 5.094 4.677 0.417 19538 9228 1 16 . 1 1 72 72 HIS CA C 72 54.390 54.390 55.265 -0.875 19538 9229 1 16 . 1 1 72 72 HIS CB C 72 33.961 33.961 30.655 3.306 19538 9230 1 16 . 1 1 72 72 HIS H H 72 9.076 9.076 9.374 -0.298 19538 9231 1 16 . 1 1 73 73 TYR N N 73 121.287 121.287 125.521 -4.234 19538 9232 1 16 . 1 1 73 73 TYR HA H 73 5.305 5.305 4.895 0.410 19538 9233 1 16 . 1 1 73 73 TYR CA C 73 56.017 56.017 57.576 -1.559 19538 9234 1 16 . 1 1 73 73 TYR CB C 73 39.479 39.479 38.445 1.034 19538 9235 1 16 . 1 1 73 73 TYR H H 73 9.305 9.305 8.858 0.447 19538 9236 1 16 . 1 1 74 74 MET N N 74 124.078 124.078 125.139 -1.061 19538 9237 1 16 . 1 1 74 74 MET HA H 74 4.867 4.867 5.481 -0.614 19538 9238 1 16 . 1 1 74 74 MET CA C 74 54.701 54.701 54.514 0.187 19538 9239 1 16 . 1 1 74 74 MET CB C 74 38.007 38.007 37.023 0.984 19538 9240 1 16 . 1 1 74 74 MET H H 74 8.761 8.761 8.633 0.128 19538 9241 1 16 . 1 1 75 75 ARG N N 75 123.962 123.962 124.317 -0.355 19538 9242 1 16 . 1 1 75 75 ARG HA H 75 5.471 5.471 5.575 -0.104 19538 9243 1 16 . 1 1 75 75 ARG CA C 75 53.340 53.340 54.586 -1.246 19538 9244 1 16 . 1 1 75 75 ARG CB C 75 34.441 34.441 33.417 1.024 19538 9245 1 16 . 1 1 75 75 ARG H H 75 8.427 8.427 8.699 -0.272 19538 9246 1 16 . 1 1 76 76 PHE N N 76 114.935 114.935 116.100 -1.165 19538 9247 1 16 . 1 1 76 76 PHE HA H 76 4.621 4.621 5.138 -0.517 19538 9248 1 16 . 1 1 76 76 PHE CA C 76 55.856 55.856 56.651 -0.795 19538 9249 1 16 . 1 1 76 76 PHE CB C 76 39.167 39.167 41.511 -2.344 19538 9250 1 16 . 1 1 76 76 PHE H H 76 8.296 8.296 8.881 -0.585 19538 9251 1 16 . 1 1 77 77 HIS N N 77 117.830 117.830 119.675 -1.845 19538 9252 1 16 . 1 1 77 77 HIS HA H 77 5.451 5.451 5.729 -0.278 19538 9253 1 16 . 1 1 77 77 HIS CA C 77 54.767 54.767 55.525 -0.758 19538 9254 1 16 . 1 1 77 77 HIS CB C 77 31.102 31.102 33.041 -1.939 19538 9255 1 16 . 1 1 77 77 HIS H H 77 9.190 9.190 9.612 -0.422 19538 9256 1 16 . 1 1 78 78 VAL N N 78 114.372 114.372 118.064 -3.692 19538 9257 1 16 . 1 1 78 78 VAL HA H 78 5.110 5.110 4.992 0.118 19538 9258 1 16 . 1 1 78 78 VAL CA C 78 59.653 59.653 59.109 0.544 19538 9259 1 16 . 1 1 78 78 VAL CB C 78 35.073 35.073 35.798 -0.725 19538 9260 1 16 . 1 1 78 78 VAL H H 78 7.860 7.860 9.448 -1.588 19538 9261 1 16 . 1 1 79 79 GLU N N 79 126.076 126.076 123.112 2.964 19538 9262 1 16 . 1 1 79 79 GLU HA H 79 5.400 5.400 4.878 0.522 19538 9263 1 16 . 1 1 79 79 GLU CA C 79 54.316 54.316 55.359 -1.043 19538 9264 1 16 . 1 1 79 79 GLU CB C 79 34.060 34.060 31.659 2.401 19538 9265 1 16 . 1 1 79 79 GLU H H 79 9.213 9.213 9.183 0.030 19538 9266 1 16 . 1 1 80 80 SER N N 80 124.627 124.627 122.784 1.843 19538 9267 1 16 . 1 1 80 80 SER HA H 80 4.892 4.892 4.583 0.309 19538 9268 1 16 . 1 1 80 80 SER CA C 80 54.930 54.930 57.740 -2.810 19538 9269 1 16 . 1 1 80 80 SER CB C 80 67.503 67.503 64.065 3.438 19538 9270 1 16 . 1 1 80 80 SER H H 80 9.464 9.464 9.336 0.128 19538 9271 1 16 . 1 1 81 81 LYS N N 81 119.240 119.240 119.513 -0.273 19538 9272 1 16 . 1 1 81 81 LYS HA H 81 4.000 4.000 4.144 -0.144 19538 9273 1 16 . 1 1 81 81 LYS CA C 81 59.099 59.099 58.699 0.400 19538 9274 1 16 . 1 1 81 81 LYS CB C 81 31.721 31.721 32.472 -0.751 19538 9275 1 16 . 1 1 81 81 LYS H H 81 10.052 10.052 8.526 1.526 19538 9276 1 16 . 1 1 82 82 LYS N N 82 114.688 114.688 114.844 -0.156 19538 9277 1 16 . 1 1 82 82 LYS HA H 82 4.365 4.365 4.433 -0.068 19538 9278 1 16 . 1 1 82 82 LYS CA C 82 56.211 56.211 56.282 -0.071 19538 9279 1 16 . 1 1 82 82 LYS CB C 82 36.484 36.484 34.662 1.822 19538 9280 1 16 . 1 1 82 82 LYS H H 82 7.782 7.782 8.067 -0.285 19538 9281 1 16 . 1 1 83 83 LYS N N 83 118.992 118.992 119.718 -0.726 19538 9282 1 16 . 1 1 83 83 LYS HA H 83 4.749 4.749 4.695 0.054 19538 9283 1 16 . 1 1 83 83 LYS CA C 83 53.590 53.590 54.800 -1.210 19538 9284 1 16 . 1 1 83 83 LYS CB C 83 39.218 39.218 36.199 3.019 19538 9285 1 16 . 1 1 83 83 LYS H H 83 7.962 7.962 7.683 0.279 19538 9286 1 16 . 1 1 84 84 ILE N N 84 118.513 118.513 120.333 -1.820 19538 9287 1 16 . 1 1 84 84 ILE HA H 84 4.556 4.556 4.845 -0.289 19538 9288 1 16 . 1 1 84 84 ILE CA C 84 60.643 60.643 60.561 0.082 19538 9289 1 16 . 1 1 84 84 ILE CB C 84 39.946 39.946 38.605 1.341 19538 9290 1 16 . 1 1 84 84 ILE H H 84 7.927 7.927 8.514 -0.587 19538 9291 1 16 . 1 1 85 85 ALA N N 85 127.327 127.327 130.109 -2.782 19538 9292 1 16 . 1 1 85 85 ALA HA H 85 5.048 5.048 5.066 -0.018 19538 9293 1 16 . 1 1 85 85 ALA CA C 85 49.316 49.316 49.647 -0.331 19538 9294 1 16 . 1 1 85 85 ALA CB C 85 24.205 24.205 22.726 1.479 19538 9295 1 16 . 1 1 85 85 ALA H H 85 9.211 9.211 9.231 -0.020 19538 9296 1 16 . 1 1 86 86 LEU N N 86 122.978 122.978 121.950 1.028 19538 9297 1 16 . 1 1 86 86 LEU HA H 86 4.554 4.554 4.638 -0.084 19538 9298 1 16 . 1 1 86 86 LEU CA C 86 53.671 53.671 52.939 0.732 19538 9299 1 16 . 1 1 86 86 LEU CB C 86 44.396 44.396 44.982 -0.586 19538 9300 1 16 . 1 1 86 86 LEU H H 86 8.312 8.312 9.007 -0.695 19538 9301 1 16 . 1 1 87 87 VAL N N 87 127.511 127.511 126.740 0.771 19538 9302 1 16 . 1 1 87 87 VAL HA H 87 4.244 4.244 4.408 -0.164 19538 9303 1 16 . 1 1 87 87 VAL CA C 87 60.226 60.226 60.419 -0.193 19538 9304 1 16 . 1 1 87 87 VAL CB C 87 31.609 31.609 33.331 -1.722 19538 9305 1 16 . 1 1 87 87 VAL H H 87 9.017 9.017 9.053 -0.036 19538 9306 1 16 . 1 1 88 88 HIS N N 88 124.227 124.227 127.287 -3.060 19538 9307 1 16 . 1 1 88 88 HIS HA H 88 4.687 4.687 4.890 -0.203 19538 9308 1 16 . 1 1 88 88 HIS CA C 88 54.314 54.314 52.877 1.437 19538 9309 1 16 . 1 1 88 88 HIS CB C 88 33.245 33.245 32.082 1.163 19538 9310 1 16 . 1 1 88 88 HIS H H 88 8.104 8.104 8.903 -0.799 19538 9311 1 16 . 1 1 89 89 LEU N N 89 121.992 121.992 129.404 -7.412 19538 9312 1 16 . 1 1 89 89 LEU HA H 89 5.050 5.050 5.164 -0.114 19538 9313 1 16 . 1 1 89 89 LEU CA C 89 52.983 52.983 53.779 -0.796 19538 9314 1 16 . 1 1 89 89 LEU CB C 89 46.355 46.355 46.272 0.083 19538 9315 1 16 . 1 1 89 89 LEU H H 89 8.600 8.600 9.470 -0.870 19538 9316 1 16 . 1 1 90 90 GLU N N 90 121.551 121.551 125.933 -4.382 19538 9317 1 16 . 1 1 90 90 GLU HA H 90 5.253 5.253 5.743 -0.490 19538 9318 1 16 . 1 1 90 90 GLU CA C 90 53.422 53.422 54.296 -0.874 19538 9319 1 16 . 1 1 90 90 GLU CB C 90 33.238 33.238 33.235 0.003 19538 9320 1 16 . 1 1 90 90 GLU H H 90 8.816 8.816 9.451 -0.635 19538 9321 1 16 . 1 1 91 91 ALA N N 91 128.266 128.266 126.942 1.324 19538 9322 1 16 . 1 1 91 91 ALA HA H 91 5.385 5.385 5.411 -0.026 19538 9323 1 16 . 1 1 91 91 ALA CA C 91 49.164 49.164 50.179 -1.015 19538 9324 1 16 . 1 1 91 91 ALA CB C 91 23.227 23.227 23.310 -0.083 19538 9325 1 16 . 1 1 91 91 ALA H H 91 9.287 9.287 8.599 0.688 19538 9326 1 16 . 1 1 92 92 LYS N N 92 121.573 121.573 119.287 2.286 19538 9327 1 16 . 1 1 92 92 LYS HA H 92 4.884 4.884 5.396 -0.512 19538 9328 1 16 . 1 1 92 92 LYS CA C 92 54.365 54.365 54.239 0.126 19538 9329 1 16 . 1 1 92 92 LYS CB C 92 36.427 36.427 35.679 0.748 19538 9330 1 16 . 1 1 92 92 LYS H H 92 9.160 9.160 8.966 0.194 19538 9331 1 16 . 1 1 93 93 GLU N N 93 127.022 127.022 126.338 0.684 19538 9332 1 16 . 1 1 93 93 GLU HA H 93 4.145 4.145 4.505 -0.360 19538 9333 1 16 . 1 1 93 93 GLU CA C 93 56.227 56.227 55.441 0.786 19538 9334 1 16 . 1 1 93 93 GLU CB C 93 30.986 30.986 31.331 -0.345 19538 9335 1 16 . 1 1 93 93 GLU H H 93 8.525 8.525 9.256 -0.731 19538 9336 1 16 . 1 1 94 94 SER N N 94 120.676 120.676 122.383 -1.707 19538 9337 1 16 . 1 1 94 94 SER HA H 94 4.416 4.416 4.100 0.316 19538 9338 1 16 . 1 1 94 94 SER CA C 94 57.241 57.241 61.908 -4.667 19538 9339 1 16 . 1 1 94 94 SER CB C 94 63.634 63.634 63.243 0.391 19538 9340 1 16 . 1 1 94 94 SER H H 94 8.877 8.877 9.000 -0.123 19538 9341 1 16 . 1 1 95 95 LYS HA H 95 4.212 4.212 4.490 -0.278 19538 9342 1 16 . 1 1 95 95 LYS CA C 95 56.036 56.036 57.724 -1.688 19538 9343 1 16 . 1 1 95 95 LYS CB C 95 33.113 33.113 33.063 0.050 19538 9344 1 16 . 1 1 96 96 GLN N N 96 118.641 118.641 116.643 1.998 19538 9345 1 16 . 1 1 96 96 GLN HA H 96 4.140 4.140 4.306 -0.166 19538 9346 1 16 . 1 1 96 96 GLN CA C 96 56.338 56.338 55.103 1.235 19538 9347 1 16 . 1 1 96 96 GLN CB C 96 28.958 28.958 28.895 0.063 19538 9348 1 16 . 1 1 96 96 GLN H H 96 8.335 8.335 8.059 0.276 19538 9349 1 16 . 1 1 97 97 ASN N N 97 116.545 116.545 118.739 -2.194 19538 9350 1 16 . 1 1 97 97 ASN HA H 97 4.511 4.511 4.500 0.011 19538 9351 1 16 . 1 1 97 97 ASN CA C 97 53.163 53.163 53.200 -0.037 19538 9352 1 16 . 1 1 97 97 ASN CB C 97 38.370 38.370 39.142 -0.772 19538 9353 1 16 . 1 1 97 97 ASN H H 97 8.199 8.199 7.971 0.228 19538 9354 1 16 . 1 1 98 98 TYR N N 98 119.134 119.134 121.823 -2.689 19538 9355 1 16 . 1 1 98 98 TYR HA H 98 4.482 4.482 4.227 0.255 19538 9356 1 16 . 1 1 98 98 TYR CA C 98 57.458 57.458 60.327 -2.869 19538 9357 1 16 . 1 1 98 98 TYR CB C 98 38.539 38.539 38.781 -0.242 19538 9358 1 16 . 1 1 98 98 TYR H H 98 7.918 7.918 8.595 -0.677 19538 9359 1 16 . 1 1 99 99 GLN N N 99 119.975 119.975 116.209 3.766 19538 9360 1 16 . 1 1 99 99 GLN HA H 99 4.440 4.440 4.670 -0.230 19538 9361 1 16 . 1 1 99 99 GLN CA C 99 53.092 53.092 52.628 0.464 19538 9362 1 16 . 1 1 99 99 GLN CB C 99 27.891 27.891 30.126 -2.235 19538 9363 1 16 . 1 1 99 99 GLN H H 99 7.992 7.992 7.745 0.247 19538 9364 1 16 . 1 1 100 100 PRO HA H 100 4.294 4.294 4.224 0.070 19538 9365 1 16 . 1 1 100 100 PRO CA C 100 62.415 62.415 62.196 0.219 19538 9366 1 16 . 1 1 100 100 PRO CB C 100 32.538 32.538 32.047 0.491 19538 9367 1 16 . 1 1 101 101 ASP N N 101 120.964 120.964 121.300 -0.336 19538 9368 1 16 . 1 1 101 101 ASP HA H 101 4.654 4.654 4.424 0.230 19538 9369 1 16 . 1 1 101 101 ASP CA C 101 52.845 52.845 53.273 -0.428 19538 9370 1 16 . 1 1 101 101 ASP CB C 101 42.316 42.316 41.722 0.594 19538 9371 1 16 . 1 1 101 101 ASP H H 101 8.225 8.225 8.852 -0.627 19538 9372 1 16 . 1 1 102 102 PHE N N 102 122.913 122.913 124.076 -1.163 19538 9373 1 16 . 1 1 102 102 PHE HA H 102 4.642 4.642 4.270 0.372 19538 9374 1 16 . 1 1 102 102 PHE CA C 102 57.341 57.341 59.174 -1.833 19538 9375 1 16 . 1 1 102 102 PHE CB C 102 38.576 38.576 38.575 0.001 19538 9376 1 16 . 1 1 102 102 PHE H H 102 9.014 9.014 8.456 0.558 19538 9377 1 16 . 1 1 103 103 ILE N N 103 117.131 117.131 124.313 -7.182 19538 9378 1 16 . 1 1 103 103 ILE HA H 103 4.464 4.464 4.030 0.434 19538 9379 1 16 . 1 1 103 103 ILE CA C 103 60.346 60.346 63.531 -3.185 19538 9380 1 16 . 1 1 103 103 ILE CB C 103 39.243 39.243 39.175 0.068 19538 9381 1 16 . 1 1 103 103 ILE H H 103 8.765 8.765 9.291 -0.526 19538 9382 1 16 . 1 1 104 104 ASN N N 104 117.264 117.264 117.011 0.253 19538 9383 1 16 . 1 1 104 104 ASN HA H 104 4.913 4.913 5.159 -0.246 19538 9384 1 16 . 1 1 104 104 ASN CA C 104 52.710 52.710 52.349 0.361 19538 9385 1 16 . 1 1 104 104 ASN CB C 104 41.361 41.361 42.565 -1.204 19538 9386 1 16 . 1 1 104 104 ASN H H 104 7.441 7.441 8.226 -0.785 19538 9387 1 16 . 1 1 105 105 MET N N 105 125.685 125.685 124.634 1.051 19538 9388 1 16 . 1 1 105 105 MET HA H 105 5.484 5.484 5.436 0.048 19538 9389 1 16 . 1 1 105 105 MET CA C 105 56.071 56.071 54.593 1.478 19538 9390 1 16 . 1 1 105 105 MET CB C 105 34.514 34.514 35.498 -0.984 19538 9391 1 16 . 1 1 105 105 MET H H 105 9.244 9.244 8.437 0.807 19538 9392 1 16 . 1 1 106 106 TYR N N 106 125.856 125.856 122.168 3.688 19538 9393 1 16 . 1 1 106 106 TYR HA H 106 5.438 5.438 5.486 -0.048 19538 9394 1 16 . 1 1 106 106 TYR CA C 106 54.552 54.552 55.089 -0.537 19538 9395 1 16 . 1 1 106 106 TYR CB C 106 40.104 40.104 41.176 -1.072 19538 9396 1 16 . 1 1 106 106 TYR H H 106 8.893 8.893 8.892 0.001 19538 9397 1 16 . 1 1 107 107 VAL N N 107 117.033 117.033 119.782 -2.749 19538 9398 1 16 . 1 1 107 107 VAL HA H 107 4.957 4.957 4.765 0.192 19538 9399 1 16 . 1 1 107 107 VAL CA C 107 60.008 60.008 60.922 -0.914 19538 9400 1 16 . 1 1 107 107 VAL CB C 107 35.319 35.319 34.857 0.462 19538 9401 1 16 . 1 1 107 107 VAL H H 107 9.041 9.041 9.398 -0.357 19538 9402 1 16 . 1 1 108 108 ASP N N 108 129.995 129.995 128.537 1.458 19538 9403 1 16 . 1 1 108 108 ASP HA H 108 5.240 5.240 5.022 0.218 19538 9404 1 16 . 1 1 108 108 ASP CA C 108 52.975 52.975 51.967 1.008 19538 9405 1 16 . 1 1 108 108 ASP CB C 108 42.245 42.245 42.557 -0.312 19538 9406 1 16 . 1 1 108 108 ASP H H 108 9.382 9.382 9.400 -0.018 19538 9407 1 16 . 1 1 109 109 VAL N N 109 129.641 129.641 126.005 3.636 19538 9408 1 16 . 1 1 109 109 VAL HA H 109 4.464 4.464 4.464 -0.000 19538 9409 1 16 . 1 1 109 109 VAL CA C 109 58.694 58.694 58.382 0.312 19538 9410 1 16 . 1 1 109 109 VAL CB C 109 33.061 33.061 33.309 -0.248 19538 9411 1 16 . 1 1 109 109 VAL H H 109 9.181 9.181 8.244 0.937 19538 9412 1 16 . 1 1 110 110 PRO HA H 110 4.288 4.288 4.352 -0.064 19538 9413 1 16 . 1 1 110 110 PRO CA C 110 64.107 64.107 64.373 -0.266 19538 9414 1 16 . 1 1 110 110 PRO CB C 110 31.557 31.557 31.994 -0.437 19538 9415 1 16 . 1 1 111 111 GLY N N 111 112.873 112.873 111.922 0.951 19538 9416 1 16 . 1 1 111 111 GLY CA C 111 44.872 44.872 45.964 -1.092 19538 9417 1 16 . 1 1 111 111 GLY H H 111 8.839 8.839 8.704 0.135 19538 9418 1 16 . 1 1 112 112 GLU N N 112 118.157 118.157 121.411 -3.254 19538 9419 1 16 . 1 1 112 112 GLU HA H 112 4.858 4.858 4.637 0.221 19538 9420 1 16 . 1 1 112 112 GLU CA C 112 52.732 52.732 54.591 -1.859 19538 9421 1 16 . 1 1 112 112 GLU CB C 112 31.513 31.513 30.883 0.630 19538 9422 1 16 . 1 1 112 112 GLU H H 112 8.136 8.136 7.723 0.413 19538 9423 1 16 . 1 1 113 113 LYS N N 113 121.944 121.944 121.723 0.221 19538 9424 1 16 . 1 1 113 113 LYS HA H 113 4.208 4.208 4.321 -0.113 19538 9425 1 16 . 1 1 113 113 LYS CA C 113 55.810 55.810 55.714 0.097 19538 9426 1 16 . 1 1 113 113 LYS CB C 113 32.157 32.157 32.643 -0.486 19538 9427 1 16 . 1 1 113 113 LYS H H 113 8.847 8.847 8.420 0.427 19538 9428 1 16 . 1 1 114 114 ARG N N 114 126.520 126.520 121.255 5.265 19538 9429 1 16 . 1 1 114 114 ARG HA H 114 4.064 4.064 4.454 -0.390 19538 9430 1 16 . 1 1 114 114 ARG CA C 114 57.914 57.914 56.776 1.138 19538 9431 1 16 . 1 1 114 114 ARG CB C 114 30.627 30.627 30.228 0.399 19538 9432 1 16 . 1 1 114 114 ARG H H 114 8.539 8.539 8.376 0.163 19538 9433 1 16 . 1 1 115 115 TYR N N 115 128.478 128.478 127.544 0.934 19538 9434 1 16 . 1 1 115 115 TYR HA H 115 4.671 4.671 4.771 -0.100 19538 9435 1 16 . 1 1 115 115 TYR CA C 115 56.519 56.519 56.445 0.074 19538 9436 1 16 . 1 1 115 115 TYR CB C 115 40.193 40.193 41.192 -0.999 19538 9437 1 16 . 1 1 115 115 TYR H H 115 8.333 8.333 9.347 -1.014 19538 9438 1 16 . 1 1 116 116 TYR N N 116 127.101 127.101 128.134 -1.033 19538 9439 1 16 . 1 1 116 116 TYR HA H 116 4.553 4.553 4.758 -0.205 19538 9440 1 16 . 1 1 116 116 TYR CA C 116 58.502 58.502 57.978 0.524 19538 9441 1 16 . 1 1 116 116 TYR CB C 116 38.842 38.842 37.467 1.375 19538 9442 1 16 . 1 1 116 116 TYR H H 116 8.740 8.740 8.915 -0.175 19538 9443 1 16 . 1 1 117 117 LEU N N 117 125.574 125.574 127.605 -2.031 19538 9444 1 16 . 1 1 117 117 LEU HA H 117 4.394 4.394 4.378 0.016 19538 9445 1 16 . 1 1 117 117 LEU CA C 117 57.384 57.384 57.434 -0.050 19538 9446 1 16 . 1 1 117 117 LEU CB C 117 43.272 43.272 42.941 0.331 19538 9447 1 16 . 1 1 117 117 LEU H H 117 8.427 8.427 8.553 -0.126 19538 9448 1 16 . 1 1 118 118 ILE N N 118 118.478 118.478 118.177 0.301 19538 9449 1 16 . 1 1 118 118 ILE HA H 118 4.199 4.199 4.260 -0.061 19538 9450 1 16 . 1 1 118 118 ILE CA C 118 60.074 60.074 60.167 -0.093 19538 9451 1 16 . 1 1 118 118 ILE CB C 118 40.895 40.895 40.140 0.755 19538 9452 1 16 . 1 1 118 118 ILE H H 118 7.983 7.983 8.245 -0.262 19538 9453 1 16 . 1 1 119 119 LYS N N 119 127.589 127.589 128.473 -0.884 19538 9454 1 16 . 1 1 119 119 LYS HA H 119 4.778 4.778 4.579 0.199 19538 9455 1 16 . 1 1 119 119 LYS CA C 119 53.232 53.232 53.069 0.163 19538 9456 1 16 . 1 1 119 119 LYS CB C 119 32.581 32.581 31.277 1.304 19538 9457 1 16 . 1 1 119 119 LYS H H 119 8.550 8.550 8.569 -0.019 19538 9458 1 16 . 1 1 120 120 PRO HA H 120 4.534 4.534 4.812 -0.278 19538 9459 1 16 . 1 1 120 120 PRO CA C 120 62.395 62.395 62.324 0.071 19538 9460 1 16 . 1 1 120 120 PRO CB C 120 32.059 32.059 32.467 -0.408 19538 9461 1 16 . 1 1 121 121 LYS N N 121 122.191 122.191 123.397 -1.206 19538 9462 1 16 . 1 1 121 121 LYS HA H 121 4.136 4.136 4.188 -0.052 19538 9463 1 16 . 1 1 121 121 LYS CA C 121 55.840 55.840 55.867 -0.028 19538 9464 1 16 . 1 1 121 121 LYS CB C 121 33.162 33.162 29.734 3.428 19538 9465 1 16 . 1 1 121 121 LYS H H 121 8.406 8.406 8.532 -0.126 19538 9466 1 16 . 1 1 122 122 LEU N N 122 122.972 122.972 120.120 2.852 19538 9467 1 16 . 1 1 122 122 LEU HA H 122 4.219 4.219 3.817 0.402 19538 9468 1 16 . 1 1 122 122 LEU CA C 122 54.494 54.494 56.219 -1.725 19538 9469 1 16 . 1 1 122 122 LEU CB C 122 41.990 41.990 41.750 0.240 19538 9470 1 16 . 1 1 122 122 LEU H H 122 8.158 8.158 8.510 -0.352 19538 9471 1 16 . 1 1 123 123 HIS N N 123 121.608 121.608 111.107 10.501 19538 9472 1 16 . 1 1 123 123 HIS HA H 123 4.776 4.776 4.850 -0.074 19538 9473 1 16 . 1 1 123 123 HIS CA C 123 53.651 53.651 52.967 0.685 19538 9474 1 16 . 1 1 123 123 HIS CB C 123 30.145 30.145 29.971 0.174 19538 9475 1 16 . 1 1 123 123 HIS H H 123 8.172 8.172 7.531 0.641 19538 9476 1 16 . 1 1 124 124 PRO HA H 124 4.085 4.085 4.476 -0.391 19538 9477 1 16 . 1 1 124 124 PRO CA C 124 62.119 62.119 63.098 -0.979 19538 9478 1 16 . 1 1 124 124 PRO CB C 124 33.900 33.900 31.422 2.478 19538 9479 1 16 . 1 1 125 125 VAL N N 125 120.758 120.758 123.366 -2.608 19538 9480 1 16 . 1 1 125 125 VAL HA H 125 4.085 4.085 3.558 0.527 19538 9481 1 16 . 1 1 125 125 VAL CA C 125 61.791 61.791 65.653 -3.862 19538 9482 1 16 . 1 1 125 125 VAL CB C 125 32.635 32.635 30.686 1.950 19538 9483 1 16 . 1 1 125 125 VAL H H 125 8.361 8.361 8.447 -0.086 19538 9484 1 16 . 1 1 126 126 SER N N 126 119.450 119.450 114.892 4.558 19538 9485 1 16 . 1 1 126 126 SER HA H 126 4.417 4.417 4.564 -0.147 19538 9486 1 16 . 1 1 126 126 SER CA C 126 57.522 57.522 58.833 -1.311 19538 9487 1 16 . 1 1 126 126 SER CB C 126 63.634 63.634 66.138 -2.504 19538 9488 1 16 . 1 1 126 126 SER H H 126 8.323 8.323 8.570 -0.247 19538 9489 1 17 . 1 1 2 2 ALA N N 2 122.815 122.815 122.823 -0.008 19538 9490 1 17 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.465 -0.172 19538 9491 1 17 . 1 1 2 2 ALA CA C 2 52.085 52.085 52.258 -0.173 19538 9492 1 17 . 1 1 2 2 ALA CB C 2 19.067 19.067 18.831 0.236 19538 9493 1 17 . 1 1 2 2 ALA H H 2 8.102 8.102 8.276 -0.174 19538 9494 1 17 . 1 1 3 3 MET N N 3 119.897 119.897 116.842 3.055 19538 9495 1 17 . 1 1 3 3 MET HA H 3 4.401 4.401 4.036 0.365 19538 9496 1 17 . 1 1 3 3 MET CA C 3 55.339 55.339 56.311 -0.972 19538 9497 1 17 . 1 1 3 3 MET CB C 3 32.938 32.938 31.830 1.108 19538 9498 1 17 . 1 1 3 3 MET H H 3 8.501 8.501 7.533 0.968 19538 9499 1 17 . 1 1 4 4 GLY N N 4 110.174 110.174 105.709 4.465 19538 9500 1 17 . 1 1 4 4 GLY CA C 4 44.706 44.706 45.386 -0.680 19538 9501 1 17 . 1 1 4 4 GLY H H 4 8.498 8.498 8.713 -0.215 19538 9502 1 17 . 1 1 5 5 SER HA H 5 4.368 4.368 4.585 -0.217 19538 9503 1 17 . 1 1 5 5 SER CA C 5 58.467 58.467 57.923 0.544 19538 9504 1 17 . 1 1 5 5 SER CB C 5 63.530 63.530 63.681 -0.152 19538 9505 1 17 . 1 1 6 6 GLY CA C 6 45.983 45.983 47.581 -1.598 19538 9506 1 17 . 1 1 7 7 ASP N N 7 122.649 122.649 120.795 1.854 19538 9507 1 17 . 1 1 7 7 ASP HA H 7 4.375 4.375 4.475 -0.100 19538 9508 1 17 . 1 1 7 7 ASP CA C 7 56.523 56.523 57.402 -0.879 19538 9509 1 17 . 1 1 7 7 ASP CB C 7 40.235 40.235 39.727 0.508 19538 9510 1 17 . 1 1 7 7 ASP H H 7 8.457 8.457 8.702 -0.245 19538 9511 1 17 . 1 1 8 8 THR N N 8 116.751 116.751 117.825 -1.074 19538 9512 1 17 . 1 1 8 8 THR HA H 8 3.853 3.853 4.054 -0.201 19538 9513 1 17 . 1 1 8 8 THR CA C 8 66.104 66.104 67.059 -0.955 19538 9514 1 17 . 1 1 8 8 THR CB C 8 68.047 68.047 68.672 -0.625 19538 9515 1 17 . 1 1 8 8 THR H H 8 8.128 8.128 8.091 0.037 19538 9516 1 17 . 1 1 9 9 GLN N N 9 120.186 120.186 121.375 -1.189 19538 9517 1 17 . 1 1 9 9 GLN HA H 9 4.038 4.038 4.107 -0.069 19538 9518 1 17 . 1 1 9 9 GLN CA C 9 58.699 58.699 59.315 -0.616 19538 9519 1 17 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.582 -0.482 19538 9520 1 17 . 1 1 9 9 GLN H H 9 7.831 7.831 8.834 -1.003 19538 9521 1 17 . 1 1 10 10 LEU N N 10 120.735 120.735 120.580 0.155 19538 9522 1 17 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.166 -0.249 19538 9523 1 17 . 1 1 10 10 LEU CA C 10 58.126 58.126 58.243 -0.117 19538 9524 1 17 . 1 1 10 10 LEU CB C 10 41.935 41.935 41.751 0.184 19538 9525 1 17 . 1 1 10 10 LEU H H 10 7.670 7.670 9.070 -1.400 19538 9526 1 17 . 1 1 11 11 PHE N N 11 117.802 117.802 120.816 -3.014 19538 9527 1 17 . 1 1 11 11 PHE HA H 11 3.821 3.821 3.905 -0.084 19538 9528 1 17 . 1 1 11 11 PHE CA C 11 60.224 60.224 61.984 -1.760 19538 9529 1 17 . 1 1 11 11 PHE CB C 11 38.798 38.798 38.715 0.083 19538 9530 1 17 . 1 1 11 11 PHE H H 11 7.939 7.939 9.317 -1.378 19538 9531 1 17 . 1 1 12 12 ASN N N 12 117.152 117.152 118.126 -0.974 19538 9532 1 17 . 1 1 12 12 ASN HA H 12 3.868 3.868 4.081 -0.213 19538 9533 1 17 . 1 1 12 12 ASN CA C 12 55.410 55.410 56.378 -0.968 19538 9534 1 17 . 1 1 12 12 ASN CB C 12 37.188 37.188 37.781 -0.593 19538 9535 1 17 . 1 1 12 12 ASN H H 12 8.562 8.562 8.748 -0.186 19538 9536 1 17 . 1 1 13 13 ARG N N 13 119.825 119.825 121.418 -1.593 19538 9537 1 17 . 1 1 13 13 ARG HA H 13 3.914 3.914 4.131 -0.217 19538 9538 1 17 . 1 1 13 13 ARG CA C 13 58.623 58.623 59.642 -1.019 19538 9539 1 17 . 1 1 13 13 ARG CB C 13 31.719 31.719 30.389 1.331 19538 9540 1 17 . 1 1 13 13 ARG H H 13 8.006 8.006 8.565 -0.559 19538 9541 1 17 . 1 1 14 14 ALA N N 14 122.749 122.749 122.770 -0.021 19538 9542 1 17 . 1 1 14 14 ALA HA H 14 3.938 3.938 4.114 -0.176 19538 9543 1 17 . 1 1 14 14 ALA CA C 14 54.976 54.976 55.082 -0.106 19538 9544 1 17 . 1 1 14 14 ALA CB C 14 19.446 19.446 18.596 0.850 19538 9545 1 17 . 1 1 14 14 ALA H H 14 8.163 8.163 8.705 -0.542 19538 9546 1 17 . 1 1 15 15 VAL N N 15 118.460 118.460 118.986 -0.526 19538 9547 1 17 . 1 1 15 15 VAL HA H 15 3.219 3.219 3.671 -0.452 19538 9548 1 17 . 1 1 15 15 VAL CA C 15 66.611 66.611 65.890 0.721 19538 9549 1 17 . 1 1 15 15 VAL CB C 15 30.889 30.889 31.396 -0.507 19538 9550 1 17 . 1 1 15 15 VAL H H 15 8.718 8.718 8.463 0.255 19538 9551 1 17 . 1 1 16 16 SER N N 16 113.102 113.102 116.612 -3.510 19538 9552 1 17 . 1 1 16 16 SER HA H 16 4.144 4.144 4.062 0.082 19538 9553 1 17 . 1 1 16 16 SER CA C 16 60.888 60.888 61.983 -1.095 19538 9554 1 17 . 1 1 16 16 SER CB C 16 62.503 62.503 62.538 -0.035 19538 9555 1 17 . 1 1 16 16 SER H H 16 7.243 7.243 8.093 -0.850 19538 9556 1 17 . 1 1 17 17 MET N N 17 117.447 117.447 120.896 -3.449 19538 9557 1 17 . 1 1 17 17 MET HA H 17 3.875 3.875 4.118 -0.243 19538 9558 1 17 . 1 1 17 17 MET CA C 17 58.575 58.575 58.742 -0.167 19538 9559 1 17 . 1 1 17 17 MET CB C 17 33.489 33.489 32.641 0.848 19538 9560 1 17 . 1 1 17 17 MET H H 17 7.232 7.232 7.812 -0.580 19538 9561 1 17 . 1 1 18 18 VAL N N 18 117.842 117.842 115.761 2.081 19538 9562 1 17 . 1 1 18 18 VAL HA H 18 3.357 3.357 3.793 -0.436 19538 9563 1 17 . 1 1 18 18 VAL CA C 18 66.065 66.065 65.807 0.258 19538 9564 1 17 . 1 1 18 18 VAL CB C 18 31.686 31.686 30.694 0.992 19538 9565 1 17 . 1 1 18 18 VAL H H 18 7.678 7.678 7.957 -0.279 19538 9566 1 17 . 1 1 19 19 GLU N N 19 113.150 113.150 119.397 -6.247 19538 9567 1 17 . 1 1 19 19 GLU HA H 19 3.618 3.618 4.000 -0.382 19538 9568 1 17 . 1 1 19 19 GLU CA C 19 58.198 58.198 59.292 -1.094 19538 9569 1 17 . 1 1 19 19 GLU CB C 19 29.786 29.786 29.789 -0.003 19538 9570 1 17 . 1 1 19 19 GLU H H 19 8.378 8.378 8.489 -0.111 19538 9571 1 17 . 1 1 20 20 LYS N N 20 114.076 114.076 113.889 0.187 19538 9572 1 17 . 1 1 20 20 LYS HA H 20 4.243 4.243 4.398 -0.155 19538 9573 1 17 . 1 1 20 20 LYS CA C 20 55.725 55.725 54.623 1.102 19538 9574 1 17 . 1 1 20 20 LYS CB C 20 33.032 33.032 32.538 0.494 19538 9575 1 17 . 1 1 20 20 LYS H H 20 7.072 7.072 7.858 -0.786 19538 9576 1 17 . 1 1 21 21 ASN N N 21 121.025 121.025 120.669 0.356 19538 9577 1 17 . 1 1 21 21 ASN HA H 21 4.555 4.555 4.462 0.093 19538 9578 1 17 . 1 1 21 21 ASN CA C 21 53.766 53.766 53.230 0.536 19538 9579 1 17 . 1 1 21 21 ASN CB C 21 39.835 39.835 38.650 1.185 19538 9580 1 17 . 1 1 21 21 ASN H H 21 7.230 7.230 7.276 -0.046 19538 9581 1 17 . 1 1 22 22 LYS N N 22 128.112 128.112 127.577 0.535 19538 9582 1 17 . 1 1 22 22 LYS HA H 22 3.698 3.698 3.886 -0.188 19538 9583 1 17 . 1 1 22 22 LYS CA C 22 59.519 59.519 60.009 -0.490 19538 9584 1 17 . 1 1 22 22 LYS CB C 22 32.140 32.140 31.376 0.764 19538 9585 1 17 . 1 1 22 22 LYS H H 22 8.846 8.846 8.622 0.224 19538 9586 1 17 . 1 1 23 23 ASP N N 23 120.250 120.250 120.614 -0.364 19538 9587 1 17 . 1 1 23 23 ASP HA H 23 4.297 4.297 4.402 -0.105 19538 9588 1 17 . 1 1 23 23 ASP CA C 23 56.787 56.787 57.256 -0.469 19538 9589 1 17 . 1 1 23 23 ASP CB C 23 39.444 39.444 40.481 -1.037 19538 9590 1 17 . 1 1 23 23 ASP H H 23 7.731 7.731 7.916 -0.185 19538 9591 1 17 . 1 1 24 24 ILE N N 24 121.988 121.988 121.005 0.983 19538 9592 1 17 . 1 1 24 24 ILE HA H 24 3.219 3.219 3.399 -0.180 19538 9593 1 17 . 1 1 24 24 ILE CA C 24 63.375 63.375 65.627 -2.252 19538 9594 1 17 . 1 1 24 24 ILE CB C 24 35.424 35.424 37.696 -2.272 19538 9595 1 17 . 1 1 24 24 ILE H H 24 8.431 8.431 9.097 -0.666 19538 9596 1 17 . 1 1 25 25 ARG N N 25 118.181 118.181 120.109 -1.928 19538 9597 1 17 . 1 1 25 25 ARG HA H 25 3.810 3.810 3.854 -0.044 19538 9598 1 17 . 1 1 25 25 ARG CA C 25 60.546 60.546 60.669 -0.122 19538 9599 1 17 . 1 1 25 25 ARG CB C 25 30.205 30.205 29.956 0.249 19538 9600 1 17 . 1 1 25 25 ARG H H 25 8.206 8.206 8.773 -0.567 19538 9601 1 17 . 1 1 26 26 SER N N 26 112.549 112.549 116.627 -4.078 19538 9602 1 17 . 1 1 26 26 SER HA H 26 4.373 4.373 4.202 0.171 19538 9603 1 17 . 1 1 26 26 SER CA C 26 61.040 61.040 62.234 -1.194 19538 9604 1 17 . 1 1 26 26 SER CB C 26 62.096 62.096 62.794 -0.698 19538 9605 1 17 . 1 1 26 26 SER H H 26 7.518 7.518 8.233 -0.715 19538 9606 1 17 . 1 1 27 27 LEU N N 27 125.275 125.275 122.610 2.665 19538 9607 1 17 . 1 1 27 27 LEU HA H 27 4.013 4.013 4.091 -0.078 19538 9608 1 17 . 1 1 27 27 LEU CA C 27 57.652 57.652 57.416 0.236 19538 9609 1 17 . 1 1 27 27 LEU CB C 27 42.548 42.548 42.022 0.526 19538 9610 1 17 . 1 1 27 27 LEU H H 27 8.050 8.050 7.870 0.180 19538 9611 1 17 . 1 1 28 28 LEU N N 28 114.725 114.725 113.520 1.205 19538 9612 1 17 . 1 1 28 28 LEU HA H 28 3.863 3.863 4.249 -0.386 19538 9613 1 17 . 1 1 28 28 LEU CA C 28 54.299 54.299 54.798 -0.499 19538 9614 1 17 . 1 1 28 28 LEU CB C 28 42.874 42.874 41.622 1.252 19538 9615 1 17 . 1 1 28 28 LEU H H 28 8.010 8.010 8.439 -0.429 19538 9616 1 17 . 1 1 29 29 GLN N N 29 116.444 116.444 114.066 2.378 19538 9617 1 17 . 1 1 29 29 GLN HA H 29 3.854 3.854 3.942 -0.088 19538 9618 1 17 . 1 1 29 29 GLN CA C 29 55.652 55.652 56.570 -0.918 19538 9619 1 17 . 1 1 29 29 GLN CB C 29 25.300 25.300 25.157 0.143 19538 9620 1 17 . 1 1 29 29 GLN H H 29 7.972 7.972 7.987 -0.015 19538 9621 1 17 . 1 1 30 30 CYS N N 30 116.363 116.363 119.225 -2.862 19538 9622 1 17 . 1 1 30 30 CYS HA H 30 4.133 4.133 4.140 -0.007 19538 9623 1 17 . 1 1 30 30 CYS CA C 30 61.559 61.559 60.059 1.500 19538 9624 1 17 . 1 1 30 30 CYS CB C 30 27.701 27.701 25.695 2.006 19538 9625 1 17 . 1 1 30 30 CYS H H 30 7.847 7.847 8.681 -0.834 19538 9626 1 17 . 1 1 31 31 ASP N N 31 125.091 125.091 124.362 0.729 19538 9627 1 17 . 1 1 31 31 ASP HA H 31 4.598 4.598 4.477 0.121 19538 9628 1 17 . 1 1 31 31 ASP CA C 31 52.428 52.428 56.177 -3.749 19538 9629 1 17 . 1 1 31 31 ASP CB C 31 39.156 39.156 41.800 -2.644 19538 9630 1 17 . 1 1 31 31 ASP H H 31 9.918 9.918 8.768 1.149 19538 9631 1 17 . 1 1 32 32 ASP N N 32 124.593 124.593 116.802 7.791 19538 9632 1 17 . 1 1 32 32 ASP HA H 32 5.131 5.131 4.513 0.618 19538 9633 1 17 . 1 1 32 32 ASP CA C 32 52.190 52.190 55.326 -3.136 19538 9634 1 17 . 1 1 32 32 ASP CB C 32 41.542 41.542 39.039 2.503 19538 9635 1 17 . 1 1 32 32 ASP H H 32 7.532 7.532 8.561 -1.029 19538 9636 1 17 . 1 1 33 33 GLY N N 33 109.888 109.888 104.802 5.086 19538 9637 1 17 . 1 1 33 33 GLY CA C 33 44.840 44.840 45.834 -0.994 19538 9638 1 17 . 1 1 33 33 GLY H H 33 7.912 7.912 8.437 -0.525 19538 9639 1 17 . 1 1 34 34 ILE HA H 34 3.978 3.978 3.996 -0.018 19538 9640 1 17 . 1 1 34 34 ILE CA C 34 63.210 63.210 63.202 0.008 19538 9641 1 17 . 1 1 34 34 ILE CB C 34 38.027 38.027 38.807 -0.780 19538 9642 1 17 . 1 1 35 35 THR N N 35 109.823 109.823 112.502 -2.679 19538 9643 1 17 . 1 1 35 35 THR HA H 35 4.291 4.291 4.442 -0.151 19538 9644 1 17 . 1 1 35 35 THR CA C 35 61.511 61.511 61.209 0.302 19538 9645 1 17 . 1 1 35 35 THR CB C 35 68.374 68.374 68.695 -0.321 19538 9646 1 17 . 1 1 35 35 THR H H 35 7.995 7.995 8.052 -0.057 19538 9647 1 17 . 1 1 36 36 GLY N N 36 109.916 109.916 110.997 -1.081 19538 9648 1 17 . 1 1 36 36 GLY CA C 36 44.282 44.282 44.924 -0.642 19538 9649 1 17 . 1 1 36 36 GLY H H 36 7.564 7.564 7.791 -0.227 19538 9650 1 17 . 1 1 37 37 LYS N N 37 119.833 119.833 122.357 -2.524 19538 9651 1 17 . 1 1 37 37 LYS HA H 37 4.442 4.442 4.696 -0.254 19538 9652 1 17 . 1 1 37 37 LYS CA C 37 54.520 54.520 55.335 -0.815 19538 9653 1 17 . 1 1 37 37 LYS CB C 37 33.208 33.208 33.127 0.081 19538 9654 1 17 . 1 1 37 37 LYS H H 37 8.236 8.236 8.366 -0.130 19538 9655 1 17 . 1 1 38 38 GLU N N 38 125.697 125.697 124.517 1.180 19538 9656 1 17 . 1 1 38 38 GLU HA H 38 3.907 3.907 4.459 -0.552 19538 9657 1 17 . 1 1 38 38 GLU CA C 38 56.731 56.731 55.160 1.571 19538 9658 1 17 . 1 1 38 38 GLU CB C 38 29.779 29.779 32.552 -2.773 19538 9659 1 17 . 1 1 38 38 GLU H H 38 8.175 8.175 8.306 -0.131 19538 9660 1 17 . 1 1 39 39 ARG N N 39 128.738 128.738 122.138 6.600 19538 9661 1 17 . 1 1 39 39 ARG HA H 39 4.260 4.260 4.558 -0.298 19538 9662 1 17 . 1 1 39 39 ARG CA C 39 55.343 55.343 54.520 0.823 19538 9663 1 17 . 1 1 39 39 ARG CB C 39 29.529 29.529 31.209 -1.679 19538 9664 1 17 . 1 1 39 39 ARG H H 39 8.920 8.920 8.571 0.349 19538 9665 1 17 . 1 1 40 40 LEU N N 40 127.659 127.659 124.788 2.871 19538 9666 1 17 . 1 1 40 40 LEU HA H 40 4.488 4.488 4.421 0.067 19538 9667 1 17 . 1 1 40 40 LEU CA C 40 53.848 53.848 55.655 -1.807 19538 9668 1 17 . 1 1 40 40 LEU CB C 40 42.333 42.333 42.334 -0.001 19538 9669 1 17 . 1 1 40 40 LEU H H 40 8.670 8.670 8.561 0.109 19538 9670 1 17 . 1 1 41 41 LYS N N 41 121.136 121.136 123.251 -2.115 19538 9671 1 17 . 1 1 41 41 LYS HA H 41 4.647 4.647 4.768 -0.121 19538 9672 1 17 . 1 1 41 41 LYS CA C 41 55.062 55.062 54.801 0.261 19538 9673 1 17 . 1 1 41 41 LYS CB C 41 35.064 35.064 36.088 -1.024 19538 9674 1 17 . 1 1 41 41 LYS H H 41 8.273 8.273 8.064 0.209 19538 9675 1 17 . 1 1 42 42 ALA N N 42 123.758 123.758 125.840 -2.082 19538 9676 1 17 . 1 1 42 42 ALA HA H 42 5.605 5.605 5.509 0.096 19538 9677 1 17 . 1 1 42 42 ALA CA C 42 50.529 50.529 51.399 -0.870 19538 9678 1 17 . 1 1 42 42 ALA CB C 42 22.577 22.577 21.992 0.585 19538 9679 1 17 . 1 1 42 42 ALA H H 42 8.488 8.488 8.619 -0.131 19538 9680 1 17 . 1 1 43 43 TYR N N 43 116.716 116.716 120.123 -3.407 19538 9681 1 17 . 1 1 43 43 TYR HA H 43 4.758 4.758 4.851 -0.093 19538 9682 1 17 . 1 1 43 43 TYR CA C 43 55.975 55.975 55.985 -0.010 19538 9683 1 17 . 1 1 43 43 TYR CB C 43 38.409 38.409 39.613 -1.204 19538 9684 1 17 . 1 1 43 43 TYR H H 43 8.123 8.123 9.099 -0.976 19538 9685 1 17 . 1 1 44 44 GLY N N 44 106.591 106.591 106.648 -0.057 19538 9686 1 17 . 1 1 44 44 GLY CA C 44 45.172 45.172 44.495 0.677 19538 9687 1 17 . 1 1 44 44 GLY H H 44 8.663 8.663 8.771 -0.108 19538 9688 1 17 . 1 1 45 45 GLU N N 45 118.850 118.850 120.815 -1.965 19538 9689 1 17 . 1 1 45 45 GLU HA H 45 4.310 4.310 3.877 0.433 19538 9690 1 17 . 1 1 45 45 GLU CA C 45 56.286 56.286 57.949 -1.663 19538 9691 1 17 . 1 1 45 45 GLU CB C 45 31.304 31.304 30.250 1.054 19538 9692 1 17 . 1 1 45 45 GLU H H 45 8.287 8.287 8.815 -0.528 19538 9693 1 17 . 1 1 46 46 LEU N N 46 124.692 124.692 117.055 7.637 19538 9694 1 17 . 1 1 46 46 LEU HA H 46 4.361 4.361 4.609 -0.248 19538 9695 1 17 . 1 1 46 46 LEU CA C 46 54.967 54.967 56.100 -1.133 19538 9696 1 17 . 1 1 46 46 LEU CB C 46 41.980 41.980 42.943 -0.963 19538 9697 1 17 . 1 1 46 46 LEU H H 46 9.010 9.010 8.095 0.915 19538 9698 1 17 . 1 1 47 47 ILE N N 47 123.302 123.302 112.095 11.207 19538 9699 1 17 . 1 1 47 47 ILE HA H 47 4.272 4.272 4.289 -0.017 19538 9700 1 17 . 1 1 47 47 ILE CA C 47 60.399 60.399 60.234 0.165 19538 9701 1 17 . 1 1 47 47 ILE CB C 47 38.676 38.676 36.979 1.697 19538 9702 1 17 . 1 1 47 47 ILE H H 47 8.407 8.407 7.515 0.892 19538 9703 1 17 . 1 1 48 48 THR N N 48 117.749 117.749 114.481 3.268 19538 9704 1 17 . 1 1 48 48 THR HA H 48 4.330 4.330 4.072 0.258 19538 9705 1 17 . 1 1 48 48 THR CA C 48 61.234 61.234 64.861 -3.627 19538 9706 1 17 . 1 1 48 48 THR CB C 48 69.327 69.327 68.683 0.644 19538 9707 1 17 . 1 1 48 48 THR H H 48 8.183 8.183 7.805 0.378 19538 9708 1 17 . 1 1 49 49 ASN N N 49 120.102 120.102 117.317 2.785 19538 9709 1 17 . 1 1 49 49 ASN HA H 49 4.585 4.585 4.664 -0.079 19538 9710 1 17 . 1 1 49 49 ASN CA C 49 53.193 53.193 53.934 -0.741 19538 9711 1 17 . 1 1 49 49 ASN CB C 49 38.261 38.261 39.835 -1.574 19538 9712 1 17 . 1 1 49 49 ASN H H 49 8.418 8.418 8.364 0.054 19538 9713 1 17 . 1 1 50 50 ASP N N 50 119.783 119.783 120.428 -0.645 19538 9714 1 17 . 1 1 50 50 ASP HA H 50 4.454 4.454 4.469 -0.015 19538 9715 1 17 . 1 1 50 50 ASP CA C 50 53.950 53.950 55.058 -1.108 19538 9716 1 17 . 1 1 50 50 ASP CB C 50 41.231 41.231 40.992 0.239 19538 9717 1 17 . 1 1 50 50 ASP H H 50 8.096 8.096 8.506 -0.410 19538 9718 1 17 . 1 1 51 51 LYS N N 51 120.547 120.547 119.369 1.178 19538 9719 1 17 . 1 1 51 51 LYS HA H 51 4.017 4.017 4.209 -0.192 19538 9720 1 17 . 1 1 51 51 LYS CA C 51 56.633 56.633 56.574 0.059 19538 9721 1 17 . 1 1 51 51 LYS CB C 51 32.052 32.052 33.062 -1.010 19538 9722 1 17 . 1 1 51 51 LYS H H 51 8.173 8.173 8.055 0.118 19538 9723 1 17 . 1 1 52 52 TRP N N 52 120.062 120.062 117.709 2.353 19538 9724 1 17 . 1 1 52 52 TRP HA H 52 4.617 4.617 4.944 -0.327 19538 9725 1 17 . 1 1 52 52 TRP CA C 52 57.045 57.045 58.312 -1.267 19538 9726 1 17 . 1 1 52 52 TRP CB C 52 29.251 29.251 29.901 -0.650 19538 9727 1 17 . 1 1 52 52 TRP H H 52 8.094 8.094 8.373 -0.279 19538 9728 1 17 . 1 1 53 53 THR N N 53 115.770 115.770 114.682 1.088 19538 9729 1 17 . 1 1 53 53 THR HA H 53 4.262 4.262 4.014 0.248 19538 9730 1 17 . 1 1 53 53 THR CA C 53 61.625 61.625 65.971 -4.346 19538 9731 1 17 . 1 1 53 53 THR CB C 53 69.153 69.153 68.033 1.120 19538 9732 1 17 . 1 1 53 53 THR H H 53 7.789 7.789 8.616 -0.827 19538 9733 1 17 . 1 1 54 54 ARG N N 54 122.136 122.136 120.826 1.310 19538 9734 1 17 . 1 1 54 54 ARG HA H 54 4.133 4.133 4.122 0.011 19538 9735 1 17 . 1 1 54 54 ARG CA C 54 56.038 56.038 59.320 -3.282 19538 9736 1 17 . 1 1 54 54 ARG CB C 54 30.441 30.441 29.659 0.782 19538 9737 1 17 . 1 1 54 54 ARG H H 54 8.191 8.191 8.537 -0.346 19538 9738 1 17 . 1 1 55 55 ASN N N 55 117.842 117.842 118.418 -0.576 19538 9739 1 17 . 1 1 55 55 ASN HA H 55 4.713 4.713 4.486 0.227 19538 9740 1 17 . 1 1 55 55 ASN CA C 55 52.873 52.873 53.464 -0.591 19538 9741 1 17 . 1 1 55 55 ASN CB C 55 38.769 38.769 37.291 1.478 19538 9742 1 17 . 1 1 55 55 ASN H H 55 8.205 8.205 8.254 -0.049 19538 9743 1 17 . 1 1 56 56 ARG N N 56 121.615 121.615 120.677 0.938 19538 9744 1 17 . 1 1 56 56 ARG HA H 56 4.542 4.542 4.127 0.415 19538 9745 1 17 . 1 1 56 56 ARG CA C 56 53.765 53.765 55.722 -1.957 19538 9746 1 17 . 1 1 56 56 ARG CB C 56 30.009 30.009 28.472 1.537 19538 9747 1 17 . 1 1 56 56 ARG H H 56 8.246 8.246 8.129 0.117 19538 9748 1 17 . 1 1 57 57 PRO HA H 57 4.273 4.273 4.562 -0.289 19538 9749 1 17 . 1 1 57 57 PRO CA C 57 62.424 62.424 62.158 0.266 19538 9750 1 17 . 1 1 57 57 PRO CB C 57 31.987 31.987 32.612 -0.625 19538 9751 1 17 . 1 1 58 58 ILE N N 58 122.700 122.700 120.225 2.475 19538 9752 1 17 . 1 1 58 58 ILE HA H 58 4.089 4.089 3.884 0.205 19538 9753 1 17 . 1 1 58 58 ILE CA C 58 60.655 60.655 62.577 -1.922 19538 9754 1 17 . 1 1 58 58 ILE CB C 58 37.111 37.111 35.773 1.338 19538 9755 1 17 . 1 1 58 58 ILE H H 58 8.098 8.098 8.145 -0.047 19538 9756 1 17 . 1 1 59 59 VAL N N 59 124.097 124.097 117.998 6.099 19538 9757 1 17 . 1 1 59 59 VAL HA H 59 4.549 4.549 4.653 -0.104 19538 9758 1 17 . 1 1 59 59 VAL CA C 59 59.613 59.613 58.952 0.661 19538 9759 1 17 . 1 1 59 59 VAL CB C 59 34.980 34.980 35.902 -0.922 19538 9760 1 17 . 1 1 59 59 VAL H H 59 8.167 8.167 7.873 0.294 19538 9761 1 17 . 1 1 60 60 SER N N 60 119.752 119.752 117.696 2.056 19538 9762 1 17 . 1 1 60 60 SER HA H 60 5.136 5.136 5.055 0.081 19538 9763 1 17 . 1 1 60 60 SER CA C 60 56.467 56.467 57.358 -0.892 19538 9764 1 17 . 1 1 60 60 SER CB C 60 64.890 64.890 63.956 0.934 19538 9765 1 17 . 1 1 60 60 SER H H 60 8.592 8.592 8.605 -0.013 19538 9766 1 17 . 1 1 61 61 THR N N 61 117.559 117.559 118.745 -1.186 19538 9767 1 17 . 1 1 61 61 THR HA H 61 4.576 4.576 4.202 0.374 19538 9768 1 17 . 1 1 61 61 THR CA C 61 61.348 61.348 61.991 -0.643 19538 9769 1 17 . 1 1 61 61 THR CB C 61 70.276 70.276 68.886 1.390 19538 9770 1 17 . 1 1 61 61 THR H H 61 9.214 9.214 9.091 0.123 19538 9771 1 17 . 1 1 62 62 LYS N N 62 123.743 123.743 126.951 -3.208 19538 9772 1 17 . 1 1 62 62 LYS HA H 62 5.507 5.507 4.184 1.323 19538 9773 1 17 . 1 1 62 62 LYS CA C 62 54.843 54.843 56.334 -1.491 19538 9774 1 17 . 1 1 62 62 LYS CB C 62 35.211 35.211 31.463 3.748 19538 9775 1 17 . 1 1 62 62 LYS H H 62 8.687 8.687 8.176 0.511 19538 9776 1 17 . 1 1 63 63 LYS N N 63 121.218 121.218 125.747 -4.529 19538 9777 1 17 . 1 1 63 63 LYS HA H 63 4.595 4.595 4.640 -0.045 19538 9778 1 17 . 1 1 63 63 LYS CA C 63 54.760 54.760 55.214 -0.454 19538 9779 1 17 . 1 1 63 63 LYS CB C 63 36.712 36.712 35.820 0.892 19538 9780 1 17 . 1 1 63 63 LYS H H 63 8.797 8.797 8.595 0.202 19538 9781 1 17 . 1 1 64 64 LEU N N 64 124.605 124.605 126.550 -1.945 19538 9782 1 17 . 1 1 64 64 LEU HA H 64 4.920 4.920 4.762 0.158 19538 9783 1 17 . 1 1 64 64 LEU CA C 64 53.797 53.797 54.036 -0.239 19538 9784 1 17 . 1 1 64 64 LEU CB C 64 43.553 43.553 44.092 -0.539 19538 9785 1 17 . 1 1 64 64 LEU H H 64 8.604 8.604 8.597 0.007 19538 9786 1 17 . 1 1 65 65 ASP N N 65 122.577 122.577 126.447 -3.870 19538 9787 1 17 . 1 1 65 65 ASP HA H 65 4.664 4.664 5.033 -0.369 19538 9788 1 17 . 1 1 65 65 ASP CA C 65 51.824 51.824 52.521 -0.697 19538 9789 1 17 . 1 1 65 65 ASP CB C 65 41.277 41.277 43.097 -1.820 19538 9790 1 17 . 1 1 65 65 ASP H H 65 8.455 8.455 8.835 -0.380 19538 9791 1 17 . 1 1 66 66 LYS N N 66 117.718 117.718 118.796 -1.078 19538 9792 1 17 . 1 1 66 66 LYS HA H 66 4.052 4.052 4.067 -0.015 19538 9793 1 17 . 1 1 66 66 LYS CA C 66 58.116 58.116 58.486 -0.370 19538 9794 1 17 . 1 1 66 66 LYS CB C 66 31.677 31.677 32.014 -0.337 19538 9795 1 17 . 1 1 66 66 LYS H H 66 8.339 8.339 8.624 -0.285 19538 9796 1 17 . 1 1 67 67 GLU N N 67 118.253 118.253 118.573 -0.320 19538 9797 1 17 . 1 1 67 67 GLU HA H 67 4.323 4.323 4.184 0.139 19538 9798 1 17 . 1 1 67 67 GLU CA C 67 56.018 56.018 57.130 -1.112 19538 9799 1 17 . 1 1 67 67 GLU CB C 67 29.587 29.587 29.610 -0.024 19538 9800 1 17 . 1 1 67 67 GLU H H 67 8.096 8.096 8.153 -0.057 19538 9801 1 17 . 1 1 68 68 GLY N N 68 107.960 107.960 106.367 1.593 19538 9802 1 17 . 1 1 68 68 GLY CA C 68 45.213 45.213 45.222 -0.009 19538 9803 1 17 . 1 1 68 68 GLY H H 68 8.168 8.168 7.913 0.255 19538 9804 1 17 . 1 1 69 69 ARG N N 69 121.436 121.436 120.523 0.913 19538 9805 1 17 . 1 1 69 69 ARG HA H 69 4.482 4.482 4.855 -0.373 19538 9806 1 17 . 1 1 69 69 ARG CA C 69 54.229 54.229 53.900 0.329 19538 9807 1 17 . 1 1 69 69 ARG CB C 69 30.399 30.399 31.142 -0.743 19538 9808 1 17 . 1 1 69 69 ARG H H 69 8.590 8.590 7.713 0.877 19538 9809 1 17 . 1 1 70 70 THR N N 70 120.709 120.709 122.205 -1.496 19538 9810 1 17 . 1 1 70 70 THR HA H 70 4.298 4.298 4.421 -0.123 19538 9811 1 17 . 1 1 70 70 THR CA C 70 64.365 64.365 64.066 0.299 19538 9812 1 17 . 1 1 70 70 THR CB C 70 68.832 68.832 69.156 -0.324 19538 9813 1 17 . 1 1 70 70 THR H H 70 8.822 8.822 8.453 0.369 19538 9814 1 17 . 1 1 71 71 HIS N N 71 127.496 127.496 127.296 0.200 19538 9815 1 17 . 1 1 71 71 HIS HA H 71 5.138 5.138 4.832 0.306 19538 9816 1 17 . 1 1 71 71 HIS CA C 71 53.948 53.948 55.066 -1.118 19538 9817 1 17 . 1 1 71 71 HIS CB C 71 31.791 31.791 31.783 0.008 19538 9818 1 17 . 1 1 71 71 HIS H H 71 9.384 9.384 9.713 -0.329 19538 9819 1 17 . 1 1 72 72 HIS N N 72 121.684 121.684 127.437 -5.753 19538 9820 1 17 . 1 1 72 72 HIS HA H 72 5.094 5.094 4.772 0.322 19538 9821 1 17 . 1 1 72 72 HIS CA C 72 54.390 54.390 55.921 -1.531 19538 9822 1 17 . 1 1 72 72 HIS CB C 72 33.961 33.961 30.772 3.189 19538 9823 1 17 . 1 1 72 72 HIS H H 72 9.076 9.076 9.407 -0.331 19538 9824 1 17 . 1 1 73 73 TYR N N 73 121.287 121.287 125.410 -4.123 19538 9825 1 17 . 1 1 73 73 TYR HA H 73 5.305 5.305 4.917 0.388 19538 9826 1 17 . 1 1 73 73 TYR CA C 73 56.017 56.017 57.452 -1.435 19538 9827 1 17 . 1 1 73 73 TYR CB C 73 39.479 39.479 38.551 0.928 19538 9828 1 17 . 1 1 73 73 TYR H H 73 9.305 9.305 9.000 0.305 19538 9829 1 17 . 1 1 74 74 MET N N 74 124.078 124.078 125.821 -1.743 19538 9830 1 17 . 1 1 74 74 MET HA H 74 4.867 4.867 5.701 -0.834 19538 9831 1 17 . 1 1 74 74 MET CA C 74 54.701 54.701 54.208 0.493 19538 9832 1 17 . 1 1 74 74 MET CB C 74 38.007 38.007 36.667 1.339 19538 9833 1 17 . 1 1 74 74 MET H H 74 8.761 8.761 9.340 -0.579 19538 9834 1 17 . 1 1 75 75 ARG N N 75 123.962 123.962 125.186 -1.224 19538 9835 1 17 . 1 1 75 75 ARG HA H 75 5.471 5.471 5.552 -0.081 19538 9836 1 17 . 1 1 75 75 ARG CA C 75 53.340 53.340 54.319 -0.980 19538 9837 1 17 . 1 1 75 75 ARG CB C 75 34.441 34.441 32.709 1.732 19538 9838 1 17 . 1 1 75 75 ARG H H 75 8.427 8.427 8.577 -0.150 19538 9839 1 17 . 1 1 76 76 PHE N N 76 114.935 114.935 116.477 -1.542 19538 9840 1 17 . 1 1 76 76 PHE HA H 76 4.621 4.621 5.012 -0.391 19538 9841 1 17 . 1 1 76 76 PHE CA C 76 55.856 55.856 56.719 -0.863 19538 9842 1 17 . 1 1 76 76 PHE CB C 76 39.167 39.167 41.344 -2.177 19538 9843 1 17 . 1 1 76 76 PHE H H 76 8.296 8.296 8.805 -0.509 19538 9844 1 17 . 1 1 77 77 HIS N N 77 117.830 117.830 119.162 -1.332 19538 9845 1 17 . 1 1 77 77 HIS HA H 77 5.451 5.451 5.449 0.002 19538 9846 1 17 . 1 1 77 77 HIS CA C 77 54.767 54.767 55.707 -0.940 19538 9847 1 17 . 1 1 77 77 HIS CB C 77 31.102 31.102 32.061 -0.959 19538 9848 1 17 . 1 1 77 77 HIS H H 77 9.190 9.190 9.471 -0.281 19538 9849 1 17 . 1 1 78 78 VAL N N 78 114.372 114.372 122.382 -8.010 19538 9850 1 17 . 1 1 78 78 VAL HA H 78 5.110 5.110 5.311 -0.201 19538 9851 1 17 . 1 1 78 78 VAL CA C 78 59.653 59.653 59.350 0.303 19538 9852 1 17 . 1 1 78 78 VAL CB C 78 35.073 35.073 36.067 -0.994 19538 9853 1 17 . 1 1 78 78 VAL H H 78 7.860 7.860 9.370 -1.510 19538 9854 1 17 . 1 1 79 79 GLU N N 79 126.076 126.076 128.079 -2.003 19538 9855 1 17 . 1 1 79 79 GLU HA H 79 5.400 5.400 4.914 0.486 19538 9856 1 17 . 1 1 79 79 GLU CA C 79 54.316 54.316 55.435 -1.119 19538 9857 1 17 . 1 1 79 79 GLU CB C 79 34.060 34.060 32.078 1.982 19538 9858 1 17 . 1 1 79 79 GLU H H 79 9.213 9.213 9.421 -0.208 19538 9859 1 17 . 1 1 80 80 SER N N 80 124.627 124.627 122.886 1.741 19538 9860 1 17 . 1 1 80 80 SER HA H 80 4.892 4.892 4.751 0.141 19538 9861 1 17 . 1 1 80 80 SER CA C 80 54.930 54.930 57.912 -2.982 19538 9862 1 17 . 1 1 80 80 SER CB C 80 67.503 67.503 63.987 3.516 19538 9863 1 17 . 1 1 80 80 SER H H 80 9.464 9.464 9.290 0.174 19538 9864 1 17 . 1 1 81 81 LYS N N 81 119.240 119.240 120.707 -1.467 19538 9865 1 17 . 1 1 81 81 LYS HA H 81 4.000 4.000 4.166 -0.166 19538 9866 1 17 . 1 1 81 81 LYS CA C 81 59.099 59.099 58.689 0.410 19538 9867 1 17 . 1 1 81 81 LYS CB C 81 31.721 31.721 32.291 -0.570 19538 9868 1 17 . 1 1 81 81 LYS H H 81 10.052 10.052 8.664 1.388 19538 9869 1 17 . 1 1 82 82 LYS N N 82 114.688 114.688 114.652 0.036 19538 9870 1 17 . 1 1 82 82 LYS HA H 82 4.365 4.365 4.448 -0.083 19538 9871 1 17 . 1 1 82 82 LYS CA C 82 56.211 56.211 55.498 0.713 19538 9872 1 17 . 1 1 82 82 LYS CB C 82 36.484 36.484 34.255 2.229 19538 9873 1 17 . 1 1 82 82 LYS H H 82 7.782 7.782 8.043 -0.261 19538 9874 1 17 . 1 1 83 83 LYS N N 83 118.992 118.992 118.985 0.007 19538 9875 1 17 . 1 1 83 83 LYS HA H 83 4.749 4.749 4.706 0.043 19538 9876 1 17 . 1 1 83 83 LYS CA C 83 53.590 53.590 54.594 -1.004 19538 9877 1 17 . 1 1 83 83 LYS CB C 83 39.218 39.218 36.172 3.046 19538 9878 1 17 . 1 1 83 83 LYS H H 83 7.962 7.962 7.720 0.242 19538 9879 1 17 . 1 1 84 84 ILE N N 84 118.513 118.513 120.739 -2.226 19538 9880 1 17 . 1 1 84 84 ILE HA H 84 4.556 4.556 4.642 -0.086 19538 9881 1 17 . 1 1 84 84 ILE CA C 84 60.643 60.643 60.767 -0.124 19538 9882 1 17 . 1 1 84 84 ILE CB C 84 39.946 39.946 39.013 0.933 19538 9883 1 17 . 1 1 84 84 ILE H H 84 7.927 7.927 8.593 -0.666 19538 9884 1 17 . 1 1 85 85 ALA N N 85 127.327 127.327 129.812 -2.485 19538 9885 1 17 . 1 1 85 85 ALA HA H 85 5.048 5.048 5.177 -0.129 19538 9886 1 17 . 1 1 85 85 ALA CA C 85 49.316 49.316 49.612 -0.296 19538 9887 1 17 . 1 1 85 85 ALA CB C 85 24.205 24.205 23.042 1.163 19538 9888 1 17 . 1 1 85 85 ALA H H 85 9.211 9.211 9.319 -0.108 19538 9889 1 17 . 1 1 86 86 LEU N N 86 122.978 122.978 122.573 0.405 19538 9890 1 17 . 1 1 86 86 LEU HA H 86 4.554 4.554 4.541 0.013 19538 9891 1 17 . 1 1 86 86 LEU CA C 86 53.671 53.671 53.192 0.479 19538 9892 1 17 . 1 1 86 86 LEU CB C 86 44.396 44.396 44.838 -0.442 19538 9893 1 17 . 1 1 86 86 LEU H H 86 8.312 8.312 9.022 -0.710 19538 9894 1 17 . 1 1 87 87 VAL N N 87 127.511 127.511 126.908 0.603 19538 9895 1 17 . 1 1 87 87 VAL HA H 87 4.244 4.244 4.566 -0.322 19538 9896 1 17 . 1 1 87 87 VAL CA C 87 60.226 60.226 60.330 -0.104 19538 9897 1 17 . 1 1 87 87 VAL CB C 87 31.609 31.609 33.575 -1.966 19538 9898 1 17 . 1 1 87 87 VAL H H 87 9.017 9.017 9.007 0.010 19538 9899 1 17 . 1 1 88 88 HIS N N 88 124.227 124.227 127.134 -2.907 19538 9900 1 17 . 1 1 88 88 HIS HA H 88 4.687 4.687 4.959 -0.272 19538 9901 1 17 . 1 1 88 88 HIS CA C 88 54.314 54.314 52.859 1.455 19538 9902 1 17 . 1 1 88 88 HIS CB C 88 33.245 33.245 32.125 1.120 19538 9903 1 17 . 1 1 88 88 HIS H H 88 8.104 8.104 8.756 -0.652 19538 9904 1 17 . 1 1 89 89 LEU N N 89 121.992 121.992 129.166 -7.174 19538 9905 1 17 . 1 1 89 89 LEU HA H 89 5.050 5.050 5.153 -0.103 19538 9906 1 17 . 1 1 89 89 LEU CA C 89 52.983 52.983 53.555 -0.572 19538 9907 1 17 . 1 1 89 89 LEU CB C 89 46.355 46.355 46.421 -0.066 19538 9908 1 17 . 1 1 89 89 LEU H H 89 8.600 8.600 9.625 -1.025 19538 9909 1 17 . 1 1 90 90 GLU N N 90 121.551 121.551 125.347 -3.796 19538 9910 1 17 . 1 1 90 90 GLU HA H 90 5.253 5.253 5.823 -0.570 19538 9911 1 17 . 1 1 90 90 GLU CA C 90 53.422 53.422 54.257 -0.835 19538 9912 1 17 . 1 1 90 90 GLU CB C 90 33.238 33.238 33.521 -0.283 19538 9913 1 17 . 1 1 90 90 GLU H H 90 8.816 8.816 9.561 -0.745 19538 9914 1 17 . 1 1 91 91 ALA N N 91 128.266 128.266 127.008 1.258 19538 9915 1 17 . 1 1 91 91 ALA HA H 91 5.385 5.385 5.362 0.023 19538 9916 1 17 . 1 1 91 91 ALA CA C 91 49.164 49.164 50.128 -0.964 19538 9917 1 17 . 1 1 91 91 ALA CB C 91 23.227 23.227 23.185 0.042 19538 9918 1 17 . 1 1 91 91 ALA H H 91 9.287 9.287 8.743 0.544 19538 9919 1 17 . 1 1 92 92 LYS N N 92 121.573 121.573 120.042 1.531 19538 9920 1 17 . 1 1 92 92 LYS HA H 92 4.884 4.884 5.373 -0.489 19538 9921 1 17 . 1 1 92 92 LYS CA C 92 54.365 54.365 53.912 0.453 19538 9922 1 17 . 1 1 92 92 LYS CB C 92 36.427 36.427 35.267 1.160 19538 9923 1 17 . 1 1 92 92 LYS H H 92 9.160 9.160 9.007 0.153 19538 9924 1 17 . 1 1 93 93 GLU N N 93 127.022 127.022 125.891 1.131 19538 9925 1 17 . 1 1 93 93 GLU HA H 93 4.145 4.145 4.352 -0.207 19538 9926 1 17 . 1 1 93 93 GLU CA C 93 56.227 56.227 56.574 -0.347 19538 9927 1 17 . 1 1 93 93 GLU CB C 93 30.986 30.986 30.938 0.048 19538 9928 1 17 . 1 1 93 93 GLU H H 93 8.525 8.525 9.293 -0.768 19538 9929 1 17 . 1 1 94 94 SER N N 94 120.676 120.676 120.493 0.183 19538 9930 1 17 . 1 1 94 94 SER HA H 94 4.416 4.416 4.298 0.118 19538 9931 1 17 . 1 1 94 94 SER CA C 94 57.241 57.241 59.041 -1.800 19538 9932 1 17 . 1 1 94 94 SER CB C 94 63.634 63.634 64.163 -0.529 19538 9933 1 17 . 1 1 94 94 SER H H 94 8.877 8.877 8.449 0.428 19538 9934 1 17 . 1 1 95 95 LYS HA H 95 4.212 4.212 4.080 0.132 19538 9935 1 17 . 1 1 95 95 LYS CA C 95 56.036 56.036 58.525 -2.489 19538 9936 1 17 . 1 1 95 95 LYS CB C 95 33.113 33.113 32.691 0.422 19538 9937 1 17 . 1 1 96 96 GLN N N 96 118.641 118.641 113.935 4.706 19538 9938 1 17 . 1 1 96 96 GLN HA H 96 4.140 4.140 4.341 -0.201 19538 9939 1 17 . 1 1 96 96 GLN CA C 96 56.338 56.338 55.193 1.145 19538 9940 1 17 . 1 1 96 96 GLN CB C 96 28.958 28.958 29.203 -0.245 19538 9941 1 17 . 1 1 96 96 GLN H H 96 8.335 8.335 7.858 0.477 19538 9942 1 17 . 1 1 97 97 ASN N N 97 116.545 116.545 118.167 -1.622 19538 9943 1 17 . 1 1 97 97 ASN HA H 97 4.511 4.511 4.373 0.138 19538 9944 1 17 . 1 1 97 97 ASN CA C 97 53.163 53.163 52.686 0.477 19538 9945 1 17 . 1 1 97 97 ASN CB C 97 38.370 38.370 39.194 -0.824 19538 9946 1 17 . 1 1 97 97 ASN H H 97 8.199 8.199 7.795 0.404 19538 9947 1 17 . 1 1 98 98 TYR N N 98 119.134 119.134 120.466 -1.332 19538 9948 1 17 . 1 1 98 98 TYR HA H 98 4.482 4.482 4.303 0.179 19538 9949 1 17 . 1 1 98 98 TYR CA C 98 57.458 57.458 60.024 -2.566 19538 9950 1 17 . 1 1 98 98 TYR CB C 98 38.539 38.539 38.693 -0.154 19538 9951 1 17 . 1 1 98 98 TYR H H 98 7.918 7.918 8.246 -0.328 19538 9952 1 17 . 1 1 99 99 GLN N N 99 119.975 119.975 116.681 3.294 19538 9953 1 17 . 1 1 99 99 GLN HA H 99 4.440 4.440 4.724 -0.284 19538 9954 1 17 . 1 1 99 99 GLN CA C 99 53.092 53.092 52.972 0.119 19538 9955 1 17 . 1 1 99 99 GLN CB C 99 27.891 27.891 30.784 -2.893 19538 9956 1 17 . 1 1 99 99 GLN H H 99 7.992 7.992 7.988 0.004 19538 9957 1 17 . 1 1 100 100 PRO HA H 100 4.294 4.294 4.302 -0.008 19538 9958 1 17 . 1 1 100 100 PRO CA C 100 62.415 62.415 62.046 0.369 19538 9959 1 17 . 1 1 100 100 PRO CB C 100 32.538 32.538 32.158 0.380 19538 9960 1 17 . 1 1 101 101 ASP N N 101 120.964 120.964 121.479 -0.515 19538 9961 1 17 . 1 1 101 101 ASP HA H 101 4.654 4.654 4.588 0.066 19538 9962 1 17 . 1 1 101 101 ASP CA C 101 52.845 52.845 53.505 -0.660 19538 9963 1 17 . 1 1 101 101 ASP CB C 101 42.316 42.316 41.398 0.918 19538 9964 1 17 . 1 1 101 101 ASP H H 101 8.225 8.225 8.914 -0.689 19538 9965 1 17 . 1 1 102 102 PHE N N 102 122.913 122.913 121.387 1.526 19538 9966 1 17 . 1 1 102 102 PHE HA H 102 4.642 4.642 4.405 0.237 19538 9967 1 17 . 1 1 102 102 PHE CA C 102 57.341 57.341 59.564 -2.223 19538 9968 1 17 . 1 1 102 102 PHE CB C 102 38.576 38.576 38.861 -0.285 19538 9969 1 17 . 1 1 102 102 PHE H H 102 9.014 9.014 8.626 0.388 19538 9970 1 17 . 1 1 103 103 ILE N N 103 117.131 117.131 123.913 -6.782 19538 9971 1 17 . 1 1 103 103 ILE HA H 103 4.464 4.464 4.141 0.323 19538 9972 1 17 . 1 1 103 103 ILE CA C 103 60.346 60.346 62.862 -2.516 19538 9973 1 17 . 1 1 103 103 ILE CB C 103 39.243 39.243 39.599 -0.356 19538 9974 1 17 . 1 1 103 103 ILE H H 103 8.765 8.765 9.097 -0.332 19538 9975 1 17 . 1 1 104 104 ASN N N 104 117.264 117.264 117.467 -0.203 19538 9976 1 17 . 1 1 104 104 ASN HA H 104 4.913 4.913 5.241 -0.328 19538 9977 1 17 . 1 1 104 104 ASN CA C 104 52.710 52.710 52.460 0.250 19538 9978 1 17 . 1 1 104 104 ASN CB C 104 41.361 41.361 42.416 -1.055 19538 9979 1 17 . 1 1 104 104 ASN H H 104 7.441 7.441 8.036 -0.595 19538 9980 1 17 . 1 1 105 105 MET N N 105 125.685 125.685 122.972 2.713 19538 9981 1 17 . 1 1 105 105 MET HA H 105 5.484 5.484 5.513 -0.029 19538 9982 1 17 . 1 1 105 105 MET CA C 105 56.071 56.071 54.634 1.437 19538 9983 1 17 . 1 1 105 105 MET CB C 105 34.514 34.514 35.669 -1.155 19538 9984 1 17 . 1 1 105 105 MET H H 105 9.244 9.244 8.828 0.416 19538 9985 1 17 . 1 1 106 106 TYR N N 106 125.856 125.856 119.614 6.242 19538 9986 1 17 . 1 1 106 106 TYR HA H 106 5.438 5.438 5.306 0.132 19538 9987 1 17 . 1 1 106 106 TYR CA C 106 54.552 54.552 55.246 -0.694 19538 9988 1 17 . 1 1 106 106 TYR CB C 106 40.104 40.104 40.540 -0.436 19538 9989 1 17 . 1 1 106 106 TYR H H 106 8.893 8.893 8.736 0.157 19538 9990 1 17 . 1 1 107 107 VAL N N 107 117.033 117.033 120.136 -3.103 19538 9991 1 17 . 1 1 107 107 VAL HA H 107 4.957 4.957 4.679 0.278 19538 9992 1 17 . 1 1 107 107 VAL CA C 107 60.008 60.008 60.972 -0.965 19538 9993 1 17 . 1 1 107 107 VAL CB C 107 35.319 35.319 34.292 1.027 19538 9994 1 17 . 1 1 107 107 VAL H H 107 9.041 9.041 9.340 -0.299 19538 9995 1 17 . 1 1 108 108 ASP N N 108 129.995 129.995 129.541 0.454 19538 9996 1 17 . 1 1 108 108 ASP HA H 108 5.240 5.240 5.064 0.176 19538 9997 1 17 . 1 1 108 108 ASP CA C 108 52.975 52.975 52.735 0.240 19538 9998 1 17 . 1 1 108 108 ASP CB C 108 42.245 42.245 42.442 -0.197 19538 9999 1 17 . 1 1 108 108 ASP H H 108 9.382 9.382 9.412 -0.030 19538 10000 1 17 . 1 1 109 109 VAL N N 109 129.641 129.641 126.172 3.469 19538 10001 1 17 . 1 1 109 109 VAL HA H 109 4.464 4.464 4.463 0.001 19538 10002 1 17 . 1 1 109 109 VAL CA C 109 58.694 58.694 58.420 0.273 19538 10003 1 17 . 1 1 109 109 VAL CB C 109 33.061 33.061 33.817 -0.756 19538 10004 1 17 . 1 1 109 109 VAL H H 109 9.181 9.181 8.125 1.056 19538 10005 1 17 . 1 1 110 110 PRO HA H 110 4.288 4.288 4.554 -0.266 19538 10006 1 17 . 1 1 110 110 PRO CA C 110 64.107 64.107 63.355 0.752 19538 10007 1 17 . 1 1 110 110 PRO CB C 110 31.557 31.557 32.230 -0.673 19538 10008 1 17 . 1 1 111 111 GLY N N 111 112.873 112.873 111.739 1.134 19538 10009 1 17 . 1 1 111 111 GLY CA C 111 44.872 44.872 46.176 -1.304 19538 10010 1 17 . 1 1 111 111 GLY H H 111 8.839 8.839 8.732 0.107 19538 10011 1 17 . 1 1 112 112 GLU N N 112 118.157 118.157 121.405 -3.248 19538 10012 1 17 . 1 1 112 112 GLU HA H 112 4.858 4.858 4.601 0.257 19538 10013 1 17 . 1 1 112 112 GLU CA C 112 52.732 52.732 54.695 -1.963 19538 10014 1 17 . 1 1 112 112 GLU CB C 112 31.513 31.513 31.181 0.332 19538 10015 1 17 . 1 1 112 112 GLU H H 112 8.136 8.136 8.345 -0.209 19538 10016 1 17 . 1 1 113 113 LYS N N 113 121.944 121.944 121.734 0.210 19538 10017 1 17 . 1 1 113 113 LYS HA H 113 4.208 4.208 4.425 -0.217 19538 10018 1 17 . 1 1 113 113 LYS CA C 113 55.810 55.810 55.146 0.664 19538 10019 1 17 . 1 1 113 113 LYS CB C 113 32.157 32.157 33.139 -0.982 19538 10020 1 17 . 1 1 113 113 LYS H H 113 8.847 8.847 8.380 0.467 19538 10021 1 17 . 1 1 114 114 ARG N N 114 126.520 126.520 123.013 3.507 19538 10022 1 17 . 1 1 114 114 ARG HA H 114 4.064 4.064 4.389 -0.325 19538 10023 1 17 . 1 1 114 114 ARG CA C 114 57.914 57.914 56.617 1.297 19538 10024 1 17 . 1 1 114 114 ARG CB C 114 30.627 30.627 30.892 -0.265 19538 10025 1 17 . 1 1 114 114 ARG H H 114 8.539 8.539 8.492 0.047 19538 10026 1 17 . 1 1 115 115 TYR N N 115 128.478 128.478 125.093 3.385 19538 10027 1 17 . 1 1 115 115 TYR HA H 115 4.671 4.671 4.863 -0.192 19538 10028 1 17 . 1 1 115 115 TYR CA C 115 56.519 56.519 56.989 -0.470 19538 10029 1 17 . 1 1 115 115 TYR CB C 115 40.193 40.193 42.455 -2.262 19538 10030 1 17 . 1 1 115 115 TYR H H 115 8.333 8.333 9.420 -1.087 19538 10031 1 17 . 1 1 116 116 TYR N N 116 127.101 127.101 128.393 -1.292 19538 10032 1 17 . 1 1 116 116 TYR HA H 116 4.553 4.553 4.693 -0.140 19538 10033 1 17 . 1 1 116 116 TYR CA C 116 58.502 58.502 58.633 -0.131 19538 10034 1 17 . 1 1 116 116 TYR CB C 116 38.842 38.842 37.718 1.124 19538 10035 1 17 . 1 1 116 116 TYR H H 116 8.740 8.740 8.505 0.235 19538 10036 1 17 . 1 1 117 117 LEU N N 117 125.574 125.574 125.016 0.558 19538 10037 1 17 . 1 1 117 117 LEU HA H 117 4.394 4.394 4.423 -0.029 19538 10038 1 17 . 1 1 117 117 LEU CA C 117 57.384 57.384 56.725 0.659 19538 10039 1 17 . 1 1 117 117 LEU CB C 117 43.272 43.272 42.978 0.294 19538 10040 1 17 . 1 1 117 117 LEU H H 117 8.427 8.427 8.322 0.105 19538 10041 1 17 . 1 1 118 118 ILE N N 118 118.478 118.478 119.065 -0.587 19538 10042 1 17 . 1 1 118 118 ILE HA H 118 4.199 4.199 4.268 -0.069 19538 10043 1 17 . 1 1 118 118 ILE CA C 118 60.074 60.074 60.354 -0.280 19538 10044 1 17 . 1 1 118 118 ILE CB C 118 40.895 40.895 39.880 1.015 19538 10045 1 17 . 1 1 118 118 ILE H H 118 7.983 7.983 8.368 -0.385 19538 10046 1 17 . 1 1 119 119 LYS N N 119 127.589 127.589 128.836 -1.247 19538 10047 1 17 . 1 1 119 119 LYS HA H 119 4.778 4.778 4.756 0.022 19538 10048 1 17 . 1 1 119 119 LYS CA C 119 53.232 53.232 52.333 0.899 19538 10049 1 17 . 1 1 119 119 LYS CB C 119 32.581 32.581 31.409 1.172 19538 10050 1 17 . 1 1 119 119 LYS H H 119 8.550 8.550 8.660 -0.110 19538 10051 1 17 . 1 1 120 120 PRO HA H 120 4.534 4.534 4.685 -0.151 19538 10052 1 17 . 1 1 120 120 PRO CA C 120 62.395 62.395 62.197 0.198 19538 10053 1 17 . 1 1 120 120 PRO CB C 120 32.059 32.059 32.404 -0.345 19538 10054 1 17 . 1 1 121 121 LYS N N 121 122.191 122.191 122.533 -0.342 19538 10055 1 17 . 1 1 121 121 LYS HA H 121 4.136 4.136 4.202 -0.066 19538 10056 1 17 . 1 1 121 121 LYS CA C 121 55.840 55.840 56.591 -0.751 19538 10057 1 17 . 1 1 121 121 LYS CB C 121 33.162 33.162 29.400 3.762 19538 10058 1 17 . 1 1 121 121 LYS H H 121 8.406 8.406 8.578 -0.172 19538 10059 1 17 . 1 1 122 122 LEU N N 122 122.972 122.972 119.872 3.100 19538 10060 1 17 . 1 1 122 122 LEU HA H 122 4.219 4.219 4.024 0.195 19538 10061 1 17 . 1 1 122 122 LEU CA C 122 54.494 54.494 56.403 -1.909 19538 10062 1 17 . 1 1 122 122 LEU CB C 122 41.990 41.990 41.956 0.034 19538 10063 1 17 . 1 1 122 122 LEU H H 122 8.158 8.158 8.814 -0.656 19538 10064 1 17 . 1 1 123 123 HIS N N 123 121.608 121.608 115.679 5.929 19538 10065 1 17 . 1 1 123 123 HIS HA H 123 4.776 4.776 4.889 -0.113 19538 10066 1 17 . 1 1 123 123 HIS CA C 123 53.651 53.651 53.352 0.299 19538 10067 1 17 . 1 1 123 123 HIS CB C 123 30.145 30.145 30.370 -0.225 19538 10068 1 17 . 1 1 123 123 HIS H H 123 8.172 8.172 8.038 0.134 19538 10069 1 17 . 1 1 124 124 PRO HA H 124 4.085 4.085 4.537 -0.452 19538 10070 1 17 . 1 1 124 124 PRO CA C 124 62.119 62.119 63.220 -1.101 19538 10071 1 17 . 1 1 124 124 PRO CB C 124 33.900 33.900 30.408 3.492 19538 10072 1 17 . 1 1 125 125 VAL N N 125 120.758 120.758 118.838 1.920 19538 10073 1 17 . 1 1 125 125 VAL HA H 125 4.085 4.085 3.580 0.505 19538 10074 1 17 . 1 1 125 125 VAL CA C 125 61.791 61.791 65.138 -3.348 19538 10075 1 17 . 1 1 125 125 VAL CB C 125 32.635 32.635 29.967 2.668 19538 10076 1 17 . 1 1 125 125 VAL H H 125 8.361 8.361 8.618 -0.257 19538 10077 1 17 . 1 1 126 126 SER N N 126 119.450 119.450 120.593 -1.143 19538 10078 1 17 . 1 1 126 126 SER HA H 126 4.417 4.417 4.352 0.065 19538 10079 1 17 . 1 1 126 126 SER CA C 126 57.522 57.522 58.947 -1.425 19538 10080 1 17 . 1 1 126 126 SER CB C 126 63.634 63.634 62.550 1.083 19538 10081 1 17 . 1 1 126 126 SER H H 126 8.323 8.323 8.309 0.014 19538 10082 1 18 . 1 1 2 2 ALA N N 2 122.815 122.815 124.776 -1.961 19538 10083 1 18 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.009 0.284 19538 10084 1 18 . 1 1 2 2 ALA CA C 2 52.085 52.085 52.867 -0.782 19538 10085 1 18 . 1 1 2 2 ALA CB C 2 19.067 19.067 17.871 1.196 19538 10086 1 18 . 1 1 2 2 ALA H H 2 8.102 8.102 8.064 0.038 19538 10087 1 18 . 1 1 3 3 MET N N 3 119.897 119.897 118.904 0.993 19538 10088 1 18 . 1 1 3 3 MET HA H 3 4.401 4.401 4.424 -0.023 19538 10089 1 18 . 1 1 3 3 MET CA C 3 55.339 55.339 55.458 -0.119 19538 10090 1 18 . 1 1 3 3 MET CB C 3 32.938 32.938 31.718 1.220 19538 10091 1 18 . 1 1 3 3 MET H H 3 8.501 8.501 7.996 0.505 19538 10092 1 18 . 1 1 4 4 GLY N N 4 110.174 110.174 111.685 -1.511 19538 10093 1 18 . 1 1 4 4 GLY CA C 4 44.706 44.706 45.627 -0.921 19538 10094 1 18 . 1 1 4 4 GLY H H 4 8.498 8.498 8.529 -0.031 19538 10095 1 18 . 1 1 5 5 SER HA H 5 4.368 4.368 4.441 -0.073 19538 10096 1 18 . 1 1 5 5 SER CA C 5 58.467 58.467 58.880 -0.413 19538 10097 1 18 . 1 1 5 5 SER CB C 5 63.530 63.530 63.433 0.097 19538 10098 1 18 . 1 1 6 6 GLY CA C 6 45.983 45.983 47.943 -1.960 19538 10099 1 18 . 1 1 7 7 ASP N N 7 122.649 122.649 120.363 2.286 19538 10100 1 18 . 1 1 7 7 ASP HA H 7 4.375 4.375 4.509 -0.134 19538 10101 1 18 . 1 1 7 7 ASP CA C 7 56.523 56.523 57.154 -0.631 19538 10102 1 18 . 1 1 7 7 ASP CB C 7 40.235 40.235 39.395 0.840 19538 10103 1 18 . 1 1 7 7 ASP H H 7 8.457 8.457 8.625 -0.168 19538 10104 1 18 . 1 1 8 8 THR N N 8 116.751 116.751 117.571 -0.820 19538 10105 1 18 . 1 1 8 8 THR HA H 8 3.853 3.853 4.064 -0.211 19538 10106 1 18 . 1 1 8 8 THR CA C 8 66.104 66.104 67.470 -1.366 19538 10107 1 18 . 1 1 8 8 THR CB C 8 68.047 68.047 68.427 -0.380 19538 10108 1 18 . 1 1 8 8 THR H H 8 8.128 8.128 8.011 0.117 19538 10109 1 18 . 1 1 9 9 GLN N N 9 120.186 120.186 121.397 -1.211 19538 10110 1 18 . 1 1 9 9 GLN HA H 9 4.038 4.038 4.119 -0.081 19538 10111 1 18 . 1 1 9 9 GLN CA C 9 58.699 58.699 59.527 -0.828 19538 10112 1 18 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.755 -0.655 19538 10113 1 18 . 1 1 9 9 GLN H H 9 7.831 7.831 8.912 -1.081 19538 10114 1 18 . 1 1 10 10 LEU N N 10 120.735 120.735 120.295 0.440 19538 10115 1 18 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.181 -0.264 19538 10116 1 18 . 1 1 10 10 LEU CA C 10 58.126 58.126 58.325 -0.200 19538 10117 1 18 . 1 1 10 10 LEU CB C 10 41.935 41.935 41.780 0.155 19538 10118 1 18 . 1 1 10 10 LEU H H 10 7.670 7.670 9.107 -1.437 19538 10119 1 18 . 1 1 11 11 PHE N N 11 117.802 117.802 120.872 -3.070 19538 10120 1 18 . 1 1 11 11 PHE HA H 11 3.821 3.821 4.022 -0.201 19538 10121 1 18 . 1 1 11 11 PHE CA C 11 60.224 60.224 61.821 -1.597 19538 10122 1 18 . 1 1 11 11 PHE CB C 11 38.798 38.798 38.939 -0.141 19538 10123 1 18 . 1 1 11 11 PHE H H 11 7.939 7.939 9.350 -1.411 19538 10124 1 18 . 1 1 12 12 ASN N N 12 117.152 117.152 118.050 -0.898 19538 10125 1 18 . 1 1 12 12 ASN HA H 12 3.868 3.868 4.060 -0.192 19538 10126 1 18 . 1 1 12 12 ASN CA C 12 55.410 55.410 56.951 -1.541 19538 10127 1 18 . 1 1 12 12 ASN CB C 12 37.188 37.188 38.170 -0.982 19538 10128 1 18 . 1 1 12 12 ASN H H 12 8.562 8.562 8.641 -0.079 19538 10129 1 18 . 1 1 13 13 ARG N N 13 119.825 119.825 120.633 -0.808 19538 10130 1 18 . 1 1 13 13 ARG HA H 13 3.914 3.914 3.990 -0.076 19538 10131 1 18 . 1 1 13 13 ARG CA C 13 58.623 58.623 59.450 -0.827 19538 10132 1 18 . 1 1 13 13 ARG CB C 13 31.719 31.719 30.210 1.509 19538 10133 1 18 . 1 1 13 13 ARG H H 13 8.006 8.006 8.547 -0.541 19538 10134 1 18 . 1 1 14 14 ALA N N 14 122.749 122.749 122.424 0.325 19538 10135 1 18 . 1 1 14 14 ALA HA H 14 3.938 3.938 3.972 -0.034 19538 10136 1 18 . 1 1 14 14 ALA CA C 14 54.976 54.976 54.981 -0.005 19538 10137 1 18 . 1 1 14 14 ALA CB C 14 19.446 19.446 18.645 0.800 19538 10138 1 18 . 1 1 14 14 ALA H H 14 8.163 8.163 8.630 -0.467 19538 10139 1 18 . 1 1 15 15 VAL N N 15 118.460 118.460 119.220 -0.760 19538 10140 1 18 . 1 1 15 15 VAL HA H 15 3.219 3.219 3.597 -0.378 19538 10141 1 18 . 1 1 15 15 VAL CA C 15 66.611 66.611 66.291 0.320 19538 10142 1 18 . 1 1 15 15 VAL CB C 15 30.889 30.889 31.002 -0.113 19538 10143 1 18 . 1 1 15 15 VAL H H 15 8.718 8.718 8.608 0.110 19538 10144 1 18 . 1 1 16 16 SER N N 16 113.102 113.102 115.317 -2.215 19538 10145 1 18 . 1 1 16 16 SER HA H 16 4.144 4.144 4.111 0.033 19538 10146 1 18 . 1 1 16 16 SER CA C 16 60.888 60.888 61.628 -0.740 19538 10147 1 18 . 1 1 16 16 SER CB C 16 62.503 62.503 62.696 -0.193 19538 10148 1 18 . 1 1 16 16 SER H H 16 7.243 7.243 7.963 -0.720 19538 10149 1 18 . 1 1 17 17 MET N N 17 117.447 117.447 120.316 -2.869 19538 10150 1 18 . 1 1 17 17 MET HA H 17 3.875 3.875 4.075 -0.200 19538 10151 1 18 . 1 1 17 17 MET CA C 17 58.575 58.575 59.034 -0.459 19538 10152 1 18 . 1 1 17 17 MET CB C 17 33.489 33.489 32.908 0.581 19538 10153 1 18 . 1 1 17 17 MET H H 17 7.232 7.232 7.570 -0.338 19538 10154 1 18 . 1 1 18 18 VAL N N 18 117.842 117.842 115.564 2.278 19538 10155 1 18 . 1 1 18 18 VAL HA H 18 3.357 3.357 3.735 -0.378 19538 10156 1 18 . 1 1 18 18 VAL CA C 18 66.065 66.065 65.872 0.193 19538 10157 1 18 . 1 1 18 18 VAL CB C 18 31.686 31.686 31.312 0.374 19538 10158 1 18 . 1 1 18 18 VAL H H 18 7.678 7.678 8.386 -0.708 19538 10159 1 18 . 1 1 19 19 GLU N N 19 113.150 113.150 119.099 -5.949 19538 10160 1 18 . 1 1 19 19 GLU HA H 19 3.618 3.618 3.984 -0.366 19538 10161 1 18 . 1 1 19 19 GLU CA C 19 58.198 58.198 59.533 -1.335 19538 10162 1 18 . 1 1 19 19 GLU CB C 19 29.786 29.786 29.833 -0.047 19538 10163 1 18 . 1 1 19 19 GLU H H 19 8.378 8.378 8.294 0.084 19538 10164 1 18 . 1 1 20 20 LYS N N 20 114.076 114.076 114.338 -0.262 19538 10165 1 18 . 1 1 20 20 LYS HA H 20 4.243 4.243 4.366 -0.123 19538 10166 1 18 . 1 1 20 20 LYS CA C 20 55.725 55.725 54.729 0.996 19538 10167 1 18 . 1 1 20 20 LYS CB C 20 33.032 33.032 32.498 0.534 19538 10168 1 18 . 1 1 20 20 LYS H H 20 7.072 7.072 7.621 -0.549 19538 10169 1 18 . 1 1 21 21 ASN N N 21 121.025 121.025 121.193 -0.168 19538 10170 1 18 . 1 1 21 21 ASN HA H 21 4.555 4.555 4.523 0.032 19538 10171 1 18 . 1 1 21 21 ASN CA C 21 53.766 53.766 53.221 0.545 19538 10172 1 18 . 1 1 21 21 ASN CB C 21 39.835 39.835 39.201 0.634 19538 10173 1 18 . 1 1 21 21 ASN H H 21 7.230 7.230 7.752 -0.522 19538 10174 1 18 . 1 1 22 22 LYS N N 22 128.112 128.112 127.385 0.727 19538 10175 1 18 . 1 1 22 22 LYS HA H 22 3.698 3.698 3.891 -0.193 19538 10176 1 18 . 1 1 22 22 LYS CA C 22 59.519 59.519 59.846 -0.327 19538 10177 1 18 . 1 1 22 22 LYS CB C 22 32.140 32.140 31.415 0.725 19538 10178 1 18 . 1 1 22 22 LYS H H 22 8.846 8.846 8.751 0.095 19538 10179 1 18 . 1 1 23 23 ASP N N 23 120.250 120.250 119.760 0.490 19538 10180 1 18 . 1 1 23 23 ASP HA H 23 4.297 4.297 4.411 -0.114 19538 10181 1 18 . 1 1 23 23 ASP CA C 23 56.787 56.787 57.072 -0.284 19538 10182 1 18 . 1 1 23 23 ASP CB C 23 39.444 39.444 40.649 -1.205 19538 10183 1 18 . 1 1 23 23 ASP H H 23 7.731 7.731 7.760 -0.029 19538 10184 1 18 . 1 1 24 24 ILE N N 24 121.988 121.988 120.725 1.263 19538 10185 1 18 . 1 1 24 24 ILE HA H 24 3.219 3.219 3.200 0.019 19538 10186 1 18 . 1 1 24 24 ILE CA C 24 63.375 63.375 65.314 -1.939 19538 10187 1 18 . 1 1 24 24 ILE CB C 24 35.424 35.424 37.612 -2.188 19538 10188 1 18 . 1 1 24 24 ILE H H 24 8.431 8.431 7.656 0.775 19538 10189 1 18 . 1 1 25 25 ARG N N 25 118.181 118.181 120.106 -1.925 19538 10190 1 18 . 1 1 25 25 ARG HA H 25 3.810 3.810 3.834 -0.024 19538 10191 1 18 . 1 1 25 25 ARG CA C 25 60.546 60.546 60.409 0.137 19538 10192 1 18 . 1 1 25 25 ARG CB C 25 30.205 30.205 29.814 0.391 19538 10193 1 18 . 1 1 25 25 ARG H H 25 8.206 8.206 8.725 -0.519 19538 10194 1 18 . 1 1 26 26 SER N N 26 112.549 112.549 116.284 -3.735 19538 10195 1 18 . 1 1 26 26 SER HA H 26 4.373 4.373 4.176 0.197 19538 10196 1 18 . 1 1 26 26 SER CA C 26 61.040 61.040 61.594 -0.554 19538 10197 1 18 . 1 1 26 26 SER CB C 26 62.096 62.096 62.903 -0.807 19538 10198 1 18 . 1 1 26 26 SER H H 26 7.518 7.518 7.735 -0.217 19538 10199 1 18 . 1 1 27 27 LEU N N 27 125.275 125.275 123.079 2.196 19538 10200 1 18 . 1 1 27 27 LEU HA H 27 4.013 4.013 4.027 -0.014 19538 10201 1 18 . 1 1 27 27 LEU CA C 27 57.652 57.652 57.633 0.019 19538 10202 1 18 . 1 1 27 27 LEU CB C 27 42.548 42.548 42.111 0.437 19538 10203 1 18 . 1 1 27 27 LEU H H 27 8.050 8.050 7.581 0.469 19538 10204 1 18 . 1 1 28 28 LEU N N 28 114.725 114.725 112.945 1.780 19538 10205 1 18 . 1 1 28 28 LEU HA H 28 3.863 3.863 4.296 -0.433 19538 10206 1 18 . 1 1 28 28 LEU CA C 28 54.299 54.299 54.247 0.052 19538 10207 1 18 . 1 1 28 28 LEU CB C 28 42.874 42.874 41.776 1.098 19538 10208 1 18 . 1 1 28 28 LEU H H 28 8.010 8.010 8.330 -0.320 19538 10209 1 18 . 1 1 29 29 GLN N N 29 116.444 116.444 115.214 1.230 19538 10210 1 18 . 1 1 29 29 GLN HA H 29 3.854 3.854 3.925 -0.071 19538 10211 1 18 . 1 1 29 29 GLN CA C 29 55.652 55.652 56.389 -0.737 19538 10212 1 18 . 1 1 29 29 GLN CB C 29 25.300 25.300 25.378 -0.078 19538 10213 1 18 . 1 1 29 29 GLN H H 29 7.972 7.972 8.141 -0.169 19538 10214 1 18 . 1 1 30 30 CYS N N 30 116.363 116.363 120.280 -3.917 19538 10215 1 18 . 1 1 30 30 CYS HA H 30 4.133 4.133 4.112 0.021 19538 10216 1 18 . 1 1 30 30 CYS CA C 30 61.559 61.559 60.032 1.526 19538 10217 1 18 . 1 1 30 30 CYS CB C 30 27.701 27.701 26.067 1.634 19538 10218 1 18 . 1 1 30 30 CYS H H 30 7.847 7.847 8.710 -0.863 19538 10219 1 18 . 1 1 31 31 ASP N N 31 125.091 125.091 123.747 1.344 19538 10220 1 18 . 1 1 31 31 ASP HA H 31 4.598 4.598 4.727 -0.129 19538 10221 1 18 . 1 1 31 31 ASP CA C 31 52.428 52.428 53.309 -0.881 19538 10222 1 18 . 1 1 31 31 ASP CB C 31 39.156 39.156 41.867 -2.711 19538 10223 1 18 . 1 1 31 31 ASP H H 31 9.918 9.918 8.641 1.277 19538 10224 1 18 . 1 1 32 32 ASP N N 32 124.593 124.593 125.566 -0.973 19538 10225 1 18 . 1 1 32 32 ASP HA H 32 5.131 5.131 4.702 0.429 19538 10226 1 18 . 1 1 32 32 ASP CA C 32 52.190 52.190 53.882 -1.692 19538 10227 1 18 . 1 1 32 32 ASP CB C 32 41.542 41.542 42.682 -1.141 19538 10228 1 18 . 1 1 32 32 ASP H H 32 7.532 7.532 8.324 -0.792 19538 10229 1 18 . 1 1 33 33 GLY N N 33 109.888 109.888 112.098 -2.210 19538 10230 1 18 . 1 1 33 33 GLY CA C 33 44.840 44.840 45.325 -0.485 19538 10231 1 18 . 1 1 33 33 GLY H H 33 7.912 7.912 8.787 -0.875 19538 10232 1 18 . 1 1 34 34 ILE HA H 34 3.978 3.978 4.031 -0.053 19538 10233 1 18 . 1 1 34 34 ILE CA C 34 63.210 63.210 62.571 0.639 19538 10234 1 18 . 1 1 34 34 ILE CB C 34 38.027 38.027 38.410 -0.383 19538 10235 1 18 . 1 1 35 35 THR N N 35 109.823 109.823 112.657 -2.834 19538 10236 1 18 . 1 1 35 35 THR HA H 35 4.291 4.291 4.193 0.098 19538 10237 1 18 . 1 1 35 35 THR CA C 35 61.511 61.511 62.052 -0.541 19538 10238 1 18 . 1 1 35 35 THR CB C 35 68.374 68.374 67.534 0.840 19538 10239 1 18 . 1 1 35 35 THR H H 35 7.995 7.995 8.299 -0.304 19538 10240 1 18 . 1 1 36 36 GLY N N 36 109.916 109.916 111.411 -1.495 19538 10241 1 18 . 1 1 36 36 GLY CA C 36 44.282 44.282 45.190 -0.908 19538 10242 1 18 . 1 1 36 36 GLY H H 36 7.564 7.564 8.220 -0.656 19538 10243 1 18 . 1 1 37 37 LYS N N 37 119.833 119.833 123.541 -3.708 19538 10244 1 18 . 1 1 37 37 LYS HA H 37 4.442 4.442 4.681 -0.239 19538 10245 1 18 . 1 1 37 37 LYS CA C 37 54.520 54.520 55.412 -0.892 19538 10246 1 18 . 1 1 37 37 LYS CB C 37 33.208 33.208 34.056 -0.848 19538 10247 1 18 . 1 1 37 37 LYS H H 37 8.236 8.236 8.338 -0.102 19538 10248 1 18 . 1 1 38 38 GLU N N 38 125.697 125.697 123.915 1.782 19538 10249 1 18 . 1 1 38 38 GLU HA H 38 3.907 3.907 4.449 -0.542 19538 10250 1 18 . 1 1 38 38 GLU CA C 38 56.731 56.731 55.037 1.694 19538 10251 1 18 . 1 1 38 38 GLU CB C 38 29.779 29.779 31.590 -1.811 19538 10252 1 18 . 1 1 38 38 GLU H H 38 8.175 8.175 8.308 -0.133 19538 10253 1 18 . 1 1 39 39 ARG N N 39 128.738 128.738 121.617 7.121 19538 10254 1 18 . 1 1 39 39 ARG HA H 39 4.260 4.260 4.552 -0.292 19538 10255 1 18 . 1 1 39 39 ARG CA C 39 55.343 55.343 54.678 0.665 19538 10256 1 18 . 1 1 39 39 ARG CB C 39 29.529 29.529 31.055 -1.526 19538 10257 1 18 . 1 1 39 39 ARG H H 39 8.920 8.920 8.487 0.433 19538 10258 1 18 . 1 1 40 40 LEU N N 40 127.659 127.659 124.520 3.139 19538 10259 1 18 . 1 1 40 40 LEU HA H 40 4.488 4.488 4.741 -0.253 19538 10260 1 18 . 1 1 40 40 LEU CA C 40 53.848 53.848 54.873 -1.026 19538 10261 1 18 . 1 1 40 40 LEU CB C 40 42.333 42.333 42.968 -0.635 19538 10262 1 18 . 1 1 40 40 LEU H H 40 8.670 8.670 8.472 0.198 19538 10263 1 18 . 1 1 41 41 LYS N N 41 121.136 121.136 122.931 -1.795 19538 10264 1 18 . 1 1 41 41 LYS HA H 41 4.647 4.647 4.736 -0.089 19538 10265 1 18 . 1 1 41 41 LYS CA C 41 55.062 55.062 54.668 0.394 19538 10266 1 18 . 1 1 41 41 LYS CB C 41 35.064 35.064 36.654 -1.590 19538 10267 1 18 . 1 1 41 41 LYS H H 41 8.273 8.273 8.713 -0.440 19538 10268 1 18 . 1 1 42 42 ALA N N 42 123.758 123.758 125.237 -1.479 19538 10269 1 18 . 1 1 42 42 ALA HA H 42 5.605 5.605 5.354 0.251 19538 10270 1 18 . 1 1 42 42 ALA CA C 42 50.529 50.529 51.152 -0.623 19538 10271 1 18 . 1 1 42 42 ALA CB C 42 22.577 22.577 21.849 0.728 19538 10272 1 18 . 1 1 42 42 ALA H H 42 8.488 8.488 8.520 -0.032 19538 10273 1 18 . 1 1 43 43 TYR N N 43 116.716 116.716 119.981 -3.265 19538 10274 1 18 . 1 1 43 43 TYR HA H 43 4.758 4.758 4.853 -0.095 19538 10275 1 18 . 1 1 43 43 TYR CA C 43 55.975 55.975 55.706 0.269 19538 10276 1 18 . 1 1 43 43 TYR CB C 43 38.409 38.409 39.616 -1.207 19538 10277 1 18 . 1 1 43 43 TYR H H 43 8.123 8.123 9.057 -0.934 19538 10278 1 18 . 1 1 44 44 GLY N N 44 106.591 106.591 107.870 -1.279 19538 10279 1 18 . 1 1 44 44 GLY CA C 44 45.172 45.172 45.724 -0.551 19538 10280 1 18 . 1 1 44 44 GLY H H 44 8.663 8.663 8.682 -0.019 19538 10281 1 18 . 1 1 45 45 GLU N N 45 118.850 118.850 124.902 -6.052 19538 10282 1 18 . 1 1 45 45 GLU HA H 45 4.310 4.310 4.291 0.019 19538 10283 1 18 . 1 1 45 45 GLU CA C 45 56.286 56.286 57.650 -1.364 19538 10284 1 18 . 1 1 45 45 GLU CB C 45 31.304 31.304 29.951 1.353 19538 10285 1 18 . 1 1 45 45 GLU H H 45 8.287 8.287 8.427 -0.140 19538 10286 1 18 . 1 1 46 46 LEU N N 46 124.692 124.692 127.843 -3.151 19538 10287 1 18 . 1 1 46 46 LEU HA H 46 4.361 4.361 4.031 0.330 19538 10288 1 18 . 1 1 46 46 LEU CA C 46 54.967 54.967 57.897 -2.929 19538 10289 1 18 . 1 1 46 46 LEU CB C 46 41.980 41.980 42.006 -0.026 19538 10290 1 18 . 1 1 46 46 LEU H H 46 9.010 9.010 8.527 0.483 19538 10291 1 18 . 1 1 47 47 ILE N N 47 123.302 123.302 115.550 7.752 19538 10292 1 18 . 1 1 47 47 ILE HA H 47 4.272 4.272 3.995 0.277 19538 10293 1 18 . 1 1 47 47 ILE CA C 47 60.399 60.399 61.407 -1.008 19538 10294 1 18 . 1 1 47 47 ILE CB C 47 38.676 38.676 37.005 1.671 19538 10295 1 18 . 1 1 47 47 ILE H H 47 8.407 8.407 9.326 -0.919 19538 10296 1 18 . 1 1 48 48 THR N N 48 117.749 117.749 115.157 2.592 19538 10297 1 18 . 1 1 48 48 THR HA H 48 4.330 4.330 4.038 0.292 19538 10298 1 18 . 1 1 48 48 THR CA C 48 61.234 61.234 64.599 -3.365 19538 10299 1 18 . 1 1 48 48 THR CB C 48 69.327 69.327 68.343 0.985 19538 10300 1 18 . 1 1 48 48 THR H H 48 8.183 8.183 7.856 0.327 19538 10301 1 18 . 1 1 49 49 ASN N N 49 120.102 120.102 118.518 1.584 19538 10302 1 18 . 1 1 49 49 ASN HA H 49 4.585 4.585 4.816 -0.231 19538 10303 1 18 . 1 1 49 49 ASN CA C 49 53.193 53.193 54.285 -1.092 19538 10304 1 18 . 1 1 49 49 ASN CB C 49 38.261 38.261 40.056 -1.796 19538 10305 1 18 . 1 1 49 49 ASN H H 49 8.418 8.418 8.365 0.053 19538 10306 1 18 . 1 1 50 50 ASP N N 50 119.783 119.783 120.806 -1.023 19538 10307 1 18 . 1 1 50 50 ASP HA H 50 4.454 4.454 4.618 -0.164 19538 10308 1 18 . 1 1 50 50 ASP CA C 50 53.950 53.950 56.940 -2.990 19538 10309 1 18 . 1 1 50 50 ASP CB C 50 41.231 41.231 40.893 0.338 19538 10310 1 18 . 1 1 50 50 ASP H H 50 8.096 8.096 8.516 -0.420 19538 10311 1 18 . 1 1 51 51 LYS N N 51 120.547 120.547 119.154 1.393 19538 10312 1 18 . 1 1 51 51 LYS HA H 51 4.017 4.017 4.228 -0.211 19538 10313 1 18 . 1 1 51 51 LYS CA C 51 56.633 56.633 58.057 -1.424 19538 10314 1 18 . 1 1 51 51 LYS CB C 51 32.052 32.052 33.660 -1.607 19538 10315 1 18 . 1 1 51 51 LYS H H 51 8.173 8.173 8.183 -0.010 19538 10316 1 18 . 1 1 52 52 TRP N N 52 120.062 120.062 118.177 1.885 19538 10317 1 18 . 1 1 52 52 TRP HA H 52 4.617 4.617 4.964 -0.347 19538 10318 1 18 . 1 1 52 52 TRP CA C 52 57.045 57.045 59.187 -2.142 19538 10319 1 18 . 1 1 52 52 TRP CB C 52 29.251 29.251 30.576 -1.325 19538 10320 1 18 . 1 1 52 52 TRP H H 52 8.094 8.094 8.013 0.081 19538 10321 1 18 . 1 1 53 53 THR N N 53 115.770 115.770 114.874 0.896 19538 10322 1 18 . 1 1 53 53 THR HA H 53 4.262 4.262 4.075 0.187 19538 10323 1 18 . 1 1 53 53 THR CA C 53 61.625 61.625 65.666 -4.041 19538 10324 1 18 . 1 1 53 53 THR CB C 53 69.153 69.153 68.560 0.593 19538 10325 1 18 . 1 1 53 53 THR H H 53 7.789 7.789 8.413 -0.624 19538 10326 1 18 . 1 1 54 54 ARG N N 54 122.136 122.136 117.956 4.180 19538 10327 1 18 . 1 1 54 54 ARG HA H 54 4.133 4.133 4.189 -0.056 19538 10328 1 18 . 1 1 54 54 ARG CA C 54 56.038 56.038 56.673 -0.635 19538 10329 1 18 . 1 1 54 54 ARG CB C 54 30.441 30.441 28.442 1.999 19538 10330 1 18 . 1 1 54 54 ARG H H 54 8.191 8.191 8.238 -0.047 19538 10331 1 18 . 1 1 55 55 ASN N N 55 117.842 117.842 118.043 -0.201 19538 10332 1 18 . 1 1 55 55 ASN HA H 55 4.713 4.713 4.629 0.084 19538 10333 1 18 . 1 1 55 55 ASN CA C 55 52.873 52.873 52.753 0.120 19538 10334 1 18 . 1 1 55 55 ASN CB C 55 38.769 38.769 37.441 1.328 19538 10335 1 18 . 1 1 55 55 ASN H H 55 8.205 8.205 8.786 -0.581 19538 10336 1 18 . 1 1 56 56 ARG N N 56 121.615 121.615 120.468 1.147 19538 10337 1 18 . 1 1 56 56 ARG HA H 56 4.542 4.542 4.113 0.429 19538 10338 1 18 . 1 1 56 56 ARG CA C 56 53.765 53.765 56.199 -2.434 19538 10339 1 18 . 1 1 56 56 ARG CB C 56 30.009 30.009 29.030 0.979 19538 10340 1 18 . 1 1 56 56 ARG H H 56 8.246 8.246 7.473 0.773 19538 10341 1 18 . 1 1 57 57 PRO HA H 57 4.273 4.273 4.332 -0.059 19538 10342 1 18 . 1 1 57 57 PRO CA C 57 62.424 62.424 62.799 -0.375 19538 10343 1 18 . 1 1 57 57 PRO CB C 57 31.987 31.987 32.403 -0.416 19538 10344 1 18 . 1 1 58 58 ILE N N 58 122.700 122.700 119.836 2.864 19538 10345 1 18 . 1 1 58 58 ILE HA H 58 4.089 4.089 3.886 0.203 19538 10346 1 18 . 1 1 58 58 ILE CA C 58 60.655 60.655 62.500 -1.845 19538 10347 1 18 . 1 1 58 58 ILE CB C 58 37.111 37.111 35.846 1.265 19538 10348 1 18 . 1 1 58 58 ILE H H 58 8.098 8.098 8.097 0.001 19538 10349 1 18 . 1 1 59 59 VAL N N 59 124.097 124.097 118.960 5.137 19538 10350 1 18 . 1 1 59 59 VAL HA H 59 4.549 4.549 4.833 -0.284 19538 10351 1 18 . 1 1 59 59 VAL CA C 59 59.613 59.613 59.250 0.363 19538 10352 1 18 . 1 1 59 59 VAL CB C 59 34.980 34.980 35.389 -0.409 19538 10353 1 18 . 1 1 59 59 VAL H H 59 8.167 8.167 7.934 0.233 19538 10354 1 18 . 1 1 60 60 SER N N 60 119.752 119.752 115.645 4.107 19538 10355 1 18 . 1 1 60 60 SER HA H 60 5.136 5.136 5.486 -0.350 19538 10356 1 18 . 1 1 60 60 SER CA C 60 56.467 56.467 56.621 -0.154 19538 10357 1 18 . 1 1 60 60 SER CB C 60 64.890 64.890 66.039 -1.149 19538 10358 1 18 . 1 1 60 60 SER H H 60 8.592 8.592 8.376 0.216 19538 10359 1 18 . 1 1 61 61 THR N N 61 117.559 117.559 113.203 4.356 19538 10360 1 18 . 1 1 61 61 THR HA H 61 4.576 4.576 4.387 0.189 19538 10361 1 18 . 1 1 61 61 THR CA C 61 61.348 61.348 61.828 -0.480 19538 10362 1 18 . 1 1 61 61 THR CB C 61 70.276 70.276 69.753 0.523 19538 10363 1 18 . 1 1 61 61 THR H H 61 9.214 9.214 8.543 0.671 19538 10364 1 18 . 1 1 62 62 LYS N N 62 123.743 123.743 121.277 2.466 19538 10365 1 18 . 1 1 62 62 LYS HA H 62 5.507 5.507 4.576 0.931 19538 10366 1 18 . 1 1 62 62 LYS CA C 62 54.843 54.843 55.010 -0.167 19538 10367 1 18 . 1 1 62 62 LYS CB C 62 35.211 35.211 32.555 2.656 19538 10368 1 18 . 1 1 62 62 LYS H H 62 8.687 8.687 8.426 0.261 19538 10369 1 18 . 1 1 63 63 LYS N N 63 121.218 121.218 124.508 -3.290 19538 10370 1 18 . 1 1 63 63 LYS HA H 63 4.595 4.595 4.566 0.029 19538 10371 1 18 . 1 1 63 63 LYS CA C 63 54.760 54.760 55.382 -0.622 19538 10372 1 18 . 1 1 63 63 LYS CB C 63 36.712 36.712 34.062 2.650 19538 10373 1 18 . 1 1 63 63 LYS H H 63 8.797 8.797 8.758 0.039 19538 10374 1 18 . 1 1 64 64 LEU N N 64 124.605 124.605 128.358 -3.753 19538 10375 1 18 . 1 1 64 64 LEU HA H 64 4.920 4.920 4.985 -0.065 19538 10376 1 18 . 1 1 64 64 LEU CA C 64 53.797 53.797 53.866 -0.069 19538 10377 1 18 . 1 1 64 64 LEU CB C 64 43.553 43.553 44.090 -0.537 19538 10378 1 18 . 1 1 64 64 LEU H H 64 8.604 8.604 8.659 -0.055 19538 10379 1 18 . 1 1 65 65 ASP N N 65 122.577 122.577 126.033 -3.456 19538 10380 1 18 . 1 1 65 65 ASP HA H 65 4.664 4.664 5.080 -0.416 19538 10381 1 18 . 1 1 65 65 ASP CA C 65 51.824 51.824 52.424 -0.600 19538 10382 1 18 . 1 1 65 65 ASP CB C 65 41.277 41.277 43.660 -2.383 19538 10383 1 18 . 1 1 65 65 ASP H H 65 8.455 8.455 8.457 -0.002 19538 10384 1 18 . 1 1 66 66 LYS N N 66 117.718 117.718 119.825 -2.107 19538 10385 1 18 . 1 1 66 66 LYS HA H 66 4.052 4.052 3.933 0.119 19538 10386 1 18 . 1 1 66 66 LYS CA C 66 58.116 58.116 58.985 -0.869 19538 10387 1 18 . 1 1 66 66 LYS CB C 66 31.677 31.677 31.999 -0.322 19538 10388 1 18 . 1 1 66 66 LYS H H 66 8.339 8.339 8.709 -0.370 19538 10389 1 18 . 1 1 67 67 GLU N N 67 118.253 118.253 119.636 -1.383 19538 10390 1 18 . 1 1 67 67 GLU HA H 67 4.323 4.323 4.166 0.157 19538 10391 1 18 . 1 1 67 67 GLU CA C 67 56.018 56.018 57.221 -1.203 19538 10392 1 18 . 1 1 67 67 GLU CB C 67 29.587 29.587 29.731 -0.144 19538 10393 1 18 . 1 1 67 67 GLU H H 67 8.096 8.096 8.030 0.066 19538 10394 1 18 . 1 1 68 68 GLY N N 68 107.960 107.960 106.199 1.761 19538 10395 1 18 . 1 1 68 68 GLY CA C 68 45.213 45.213 45.444 -0.231 19538 10396 1 18 . 1 1 68 68 GLY H H 68 8.168 8.168 8.852 -0.684 19538 10397 1 18 . 1 1 69 69 ARG N N 69 121.436 121.436 118.728 2.708 19538 10398 1 18 . 1 1 69 69 ARG HA H 69 4.482 4.482 4.941 -0.459 19538 10399 1 18 . 1 1 69 69 ARG CA C 69 54.229 54.229 53.192 1.037 19538 10400 1 18 . 1 1 69 69 ARG CB C 69 30.399 30.399 30.551 -0.152 19538 10401 1 18 . 1 1 69 69 ARG H H 69 8.590 8.590 7.621 0.969 19538 10402 1 18 . 1 1 70 70 THR N N 70 120.709 120.709 121.710 -1.001 19538 10403 1 18 . 1 1 70 70 THR HA H 70 4.298 4.298 4.546 -0.248 19538 10404 1 18 . 1 1 70 70 THR CA C 70 64.365 64.365 63.242 1.123 19538 10405 1 18 . 1 1 70 70 THR CB C 70 68.832 68.832 69.388 -0.556 19538 10406 1 18 . 1 1 70 70 THR H H 70 8.822 8.822 8.556 0.266 19538 10407 1 18 . 1 1 71 71 HIS N N 71 127.496 127.496 127.879 -0.383 19538 10408 1 18 . 1 1 71 71 HIS HA H 71 5.138 5.138 4.866 0.272 19538 10409 1 18 . 1 1 71 71 HIS CA C 71 53.948 53.948 56.002 -2.054 19538 10410 1 18 . 1 1 71 71 HIS CB C 71 31.791 31.791 31.474 0.317 19538 10411 1 18 . 1 1 71 71 HIS H H 71 9.384 9.384 9.690 -0.306 19538 10412 1 18 . 1 1 72 72 HIS N N 72 121.684 121.684 128.186 -6.502 19538 10413 1 18 . 1 1 72 72 HIS HA H 72 5.094 5.094 5.407 -0.313 19538 10414 1 18 . 1 1 72 72 HIS CA C 72 54.390 54.390 54.643 -0.253 19538 10415 1 18 . 1 1 72 72 HIS CB C 72 33.961 33.961 30.300 3.661 19538 10416 1 18 . 1 1 72 72 HIS H H 72 9.076 9.076 9.531 -0.455 19538 10417 1 18 . 1 1 73 73 TYR N N 73 121.287 121.287 125.874 -4.587 19538 10418 1 18 . 1 1 73 73 TYR HA H 73 5.305 5.305 4.799 0.506 19538 10419 1 18 . 1 1 73 73 TYR CA C 73 56.017 56.017 58.066 -2.050 19538 10420 1 18 . 1 1 73 73 TYR CB C 73 39.479 39.479 39.032 0.447 19538 10421 1 18 . 1 1 73 73 TYR H H 73 9.305 9.305 9.768 -0.463 19538 10422 1 18 . 1 1 74 74 MET N N 74 124.078 124.078 126.424 -2.346 19538 10423 1 18 . 1 1 74 74 MET HA H 74 4.867 4.867 5.447 -0.580 19538 10424 1 18 . 1 1 74 74 MET CA C 74 54.701 54.701 54.104 0.597 19538 10425 1 18 . 1 1 74 74 MET CB C 74 38.007 38.007 36.317 1.690 19538 10426 1 18 . 1 1 74 74 MET H H 74 8.761 8.761 9.304 -0.543 19538 10427 1 18 . 1 1 75 75 ARG N N 75 123.962 123.962 124.945 -0.983 19538 10428 1 18 . 1 1 75 75 ARG HA H 75 5.471 5.471 5.220 0.251 19538 10429 1 18 . 1 1 75 75 ARG CA C 75 53.340 53.340 54.534 -1.194 19538 10430 1 18 . 1 1 75 75 ARG CB C 75 34.441 34.441 32.356 2.085 19538 10431 1 18 . 1 1 75 75 ARG H H 75 8.427 8.427 8.583 -0.156 19538 10432 1 18 . 1 1 76 76 PHE N N 76 114.935 114.935 117.746 -2.811 19538 10433 1 18 . 1 1 76 76 PHE HA H 76 4.621 4.621 5.079 -0.458 19538 10434 1 18 . 1 1 76 76 PHE CA C 76 55.856 55.856 56.408 -0.552 19538 10435 1 18 . 1 1 76 76 PHE CB C 76 39.167 39.167 41.712 -2.545 19538 10436 1 18 . 1 1 76 76 PHE H H 76 8.296 8.296 8.813 -0.517 19538 10437 1 18 . 1 1 77 77 HIS N N 77 117.830 117.830 119.591 -1.761 19538 10438 1 18 . 1 1 77 77 HIS HA H 77 5.451 5.451 5.199 0.252 19538 10439 1 18 . 1 1 77 77 HIS CA C 77 54.767 54.767 55.569 -0.802 19538 10440 1 18 . 1 1 77 77 HIS CB C 77 31.102 31.102 32.904 -1.802 19538 10441 1 18 . 1 1 77 77 HIS H H 77 9.190 9.190 9.354 -0.164 19538 10442 1 18 . 1 1 78 78 VAL N N 78 114.372 114.372 119.253 -4.881 19538 10443 1 18 . 1 1 78 78 VAL HA H 78 5.110 5.110 5.085 0.025 19538 10444 1 18 . 1 1 78 78 VAL CA C 78 59.653 59.653 59.395 0.258 19538 10445 1 18 . 1 1 78 78 VAL CB C 78 35.073 35.073 36.160 -1.087 19538 10446 1 18 . 1 1 78 78 VAL H H 78 7.860 7.860 9.314 -1.454 19538 10447 1 18 . 1 1 79 79 GLU N N 79 126.076 126.076 124.062 2.014 19538 10448 1 18 . 1 1 79 79 GLU HA H 79 5.400 5.400 4.838 0.562 19538 10449 1 18 . 1 1 79 79 GLU CA C 79 54.316 54.316 55.035 -0.718 19538 10450 1 18 . 1 1 79 79 GLU CB C 79 34.060 34.060 32.328 1.732 19538 10451 1 18 . 1 1 79 79 GLU H H 79 9.213 9.213 9.327 -0.114 19538 10452 1 18 . 1 1 80 80 SER N N 80 124.627 124.627 123.104 1.523 19538 10453 1 18 . 1 1 80 80 SER HA H 80 4.892 4.892 4.614 0.278 19538 10454 1 18 . 1 1 80 80 SER CA C 80 54.930 54.930 57.774 -2.844 19538 10455 1 18 . 1 1 80 80 SER CB C 80 67.503 67.503 64.338 3.164 19538 10456 1 18 . 1 1 80 80 SER H H 80 9.464 9.464 9.191 0.273 19538 10457 1 18 . 1 1 81 81 LYS N N 81 119.240 119.240 119.166 0.074 19538 10458 1 18 . 1 1 81 81 LYS HA H 81 4.000 4.000 4.189 -0.189 19538 10459 1 18 . 1 1 81 81 LYS CA C 81 59.099 59.099 58.127 0.972 19538 10460 1 18 . 1 1 81 81 LYS CB C 81 31.721 31.721 32.490 -0.769 19538 10461 1 18 . 1 1 81 81 LYS H H 81 10.052 10.052 8.464 1.588 19538 10462 1 18 . 1 1 82 82 LYS N N 82 114.688 114.688 115.251 -0.563 19538 10463 1 18 . 1 1 82 82 LYS HA H 82 4.365 4.365 4.446 -0.081 19538 10464 1 18 . 1 1 82 82 LYS CA C 82 56.211 56.211 56.254 -0.043 19538 10465 1 18 . 1 1 82 82 LYS CB C 82 36.484 36.484 34.720 1.764 19538 10466 1 18 . 1 1 82 82 LYS H H 82 7.782 7.782 7.726 0.056 19538 10467 1 18 . 1 1 83 83 LYS N N 83 118.992 118.992 119.728 -0.736 19538 10468 1 18 . 1 1 83 83 LYS HA H 83 4.749 4.749 4.756 -0.007 19538 10469 1 18 . 1 1 83 83 LYS CA C 83 53.590 53.590 54.236 -0.646 19538 10470 1 18 . 1 1 83 83 LYS CB C 83 39.218 39.218 36.129 3.089 19538 10471 1 18 . 1 1 83 83 LYS H H 83 7.962 7.962 8.557 -0.595 19538 10472 1 18 . 1 1 84 84 ILE N N 84 118.513 118.513 120.533 -2.020 19538 10473 1 18 . 1 1 84 84 ILE HA H 84 4.556 4.556 4.642 -0.086 19538 10474 1 18 . 1 1 84 84 ILE CA C 84 60.643 60.643 60.742 -0.099 19538 10475 1 18 . 1 1 84 84 ILE CB C 84 39.946 39.946 39.407 0.539 19538 10476 1 18 . 1 1 84 84 ILE H H 84 7.927 7.927 8.551 -0.624 19538 10477 1 18 . 1 1 85 85 ALA N N 85 127.327 127.327 129.126 -1.799 19538 10478 1 18 . 1 1 85 85 ALA HA H 85 5.048 5.048 5.156 -0.108 19538 10479 1 18 . 1 1 85 85 ALA CA C 85 49.316 49.316 49.598 -0.282 19538 10480 1 18 . 1 1 85 85 ALA CB C 85 24.205 24.205 23.262 0.943 19538 10481 1 18 . 1 1 85 85 ALA H H 85 9.211 9.211 9.313 -0.102 19538 10482 1 18 . 1 1 86 86 LEU N N 86 122.978 122.978 121.753 1.225 19538 10483 1 18 . 1 1 86 86 LEU HA H 86 4.554 4.554 3.992 0.562 19538 10484 1 18 . 1 1 86 86 LEU CA C 86 53.671 53.671 53.566 0.105 19538 10485 1 18 . 1 1 86 86 LEU CB C 86 44.396 44.396 44.797 -0.401 19538 10486 1 18 . 1 1 86 86 LEU H H 86 8.312 8.312 8.716 -0.404 19538 10487 1 18 . 1 1 87 87 VAL N N 87 127.511 127.511 126.615 0.896 19538 10488 1 18 . 1 1 87 87 VAL HA H 87 4.244 4.244 4.496 -0.252 19538 10489 1 18 . 1 1 87 87 VAL CA C 87 60.226 60.226 60.639 -0.413 19538 10490 1 18 . 1 1 87 87 VAL CB C 87 31.609 31.609 32.990 -1.381 19538 10491 1 18 . 1 1 87 87 VAL H H 87 9.017 9.017 9.054 -0.037 19538 10492 1 18 . 1 1 88 88 HIS N N 88 124.227 124.227 127.475 -3.248 19538 10493 1 18 . 1 1 88 88 HIS HA H 88 4.687 4.687 4.891 -0.204 19538 10494 1 18 . 1 1 88 88 HIS CA C 88 54.314 54.314 53.798 0.516 19538 10495 1 18 . 1 1 88 88 HIS CB C 88 33.245 33.245 32.442 0.803 19538 10496 1 18 . 1 1 88 88 HIS H H 88 8.104 8.104 8.797 -0.693 19538 10497 1 18 . 1 1 89 89 LEU N N 89 121.992 121.992 128.154 -6.162 19538 10498 1 18 . 1 1 89 89 LEU HA H 89 5.050 5.050 5.136 -0.086 19538 10499 1 18 . 1 1 89 89 LEU CA C 89 52.983 52.983 53.737 -0.754 19538 10500 1 18 . 1 1 89 89 LEU CB C 89 46.355 46.355 46.286 0.069 19538 10501 1 18 . 1 1 89 89 LEU H H 89 8.600 8.600 9.158 -0.558 19538 10502 1 18 . 1 1 90 90 GLU N N 90 121.551 121.551 125.939 -4.388 19538 10503 1 18 . 1 1 90 90 GLU HA H 90 5.253 5.253 5.543 -0.290 19538 10504 1 18 . 1 1 90 90 GLU CA C 90 53.422 53.422 54.579 -1.157 19538 10505 1 18 . 1 1 90 90 GLU CB C 90 33.238 33.238 33.330 -0.092 19538 10506 1 18 . 1 1 90 90 GLU H H 90 8.816 8.816 9.624 -0.808 19538 10507 1 18 . 1 1 91 91 ALA N N 91 128.266 128.266 127.851 0.415 19538 10508 1 18 . 1 1 91 91 ALA HA H 91 5.385 5.385 5.502 -0.117 19538 10509 1 18 . 1 1 91 91 ALA CA C 91 49.164 49.164 49.767 -0.603 19538 10510 1 18 . 1 1 91 91 ALA CB C 91 23.227 23.227 23.108 0.119 19538 10511 1 18 . 1 1 91 91 ALA H H 91 9.287 9.287 9.025 0.262 19538 10512 1 18 . 1 1 92 92 LYS N N 92 121.573 121.573 120.503 1.070 19538 10513 1 18 . 1 1 92 92 LYS HA H 92 4.884 4.884 5.309 -0.425 19538 10514 1 18 . 1 1 92 92 LYS CA C 92 54.365 54.365 53.849 0.516 19538 10515 1 18 . 1 1 92 92 LYS CB C 92 36.427 36.427 35.830 0.597 19538 10516 1 18 . 1 1 92 92 LYS H H 92 9.160 9.160 8.883 0.277 19538 10517 1 18 . 1 1 93 93 GLU N N 93 127.022 127.022 125.092 1.930 19538 10518 1 18 . 1 1 93 93 GLU HA H 93 4.145 4.145 4.309 -0.164 19538 10519 1 18 . 1 1 93 93 GLU CA C 93 56.227 56.227 55.989 0.238 19538 10520 1 18 . 1 1 93 93 GLU CB C 93 30.986 30.986 31.493 -0.507 19538 10521 1 18 . 1 1 93 93 GLU H H 93 8.525 8.525 9.160 -0.635 19538 10522 1 18 . 1 1 94 94 SER N N 94 120.676 120.676 121.244 -0.568 19538 10523 1 18 . 1 1 94 94 SER HA H 94 4.416 4.416 4.117 0.299 19538 10524 1 18 . 1 1 94 94 SER CA C 94 57.241 57.241 62.421 -5.180 19538 10525 1 18 . 1 1 94 94 SER CB C 94 63.634 63.634 63.549 0.085 19538 10526 1 18 . 1 1 94 94 SER H H 94 8.877 8.877 8.948 -0.071 19538 10527 1 18 . 1 1 95 95 LYS HA H 95 4.212 4.212 4.711 -0.499 19538 10528 1 18 . 1 1 95 95 LYS CA C 95 56.036 56.036 57.484 -1.448 19538 10529 1 18 . 1 1 95 95 LYS CB C 95 33.113 33.113 33.964 -0.851 19538 10530 1 18 . 1 1 96 96 GLN N N 96 118.641 118.641 116.319 2.322 19538 10531 1 18 . 1 1 96 96 GLN HA H 96 4.140 4.140 4.487 -0.347 19538 10532 1 18 . 1 1 96 96 GLN CA C 96 56.338 56.338 54.660 1.678 19538 10533 1 18 . 1 1 96 96 GLN CB C 96 28.958 28.958 29.105 -0.147 19538 10534 1 18 . 1 1 96 96 GLN H H 96 8.335 8.335 8.093 0.242 19538 10535 1 18 . 1 1 97 97 ASN N N 97 116.545 116.545 118.441 -1.896 19538 10536 1 18 . 1 1 97 97 ASN HA H 97 4.511 4.511 4.646 -0.135 19538 10537 1 18 . 1 1 97 97 ASN CA C 97 53.163 53.163 52.126 1.037 19538 10538 1 18 . 1 1 97 97 ASN CB C 97 38.370 38.370 40.008 -1.638 19538 10539 1 18 . 1 1 97 97 ASN H H 97 8.199 8.199 8.375 -0.176 19538 10540 1 18 . 1 1 98 98 TYR N N 98 119.134 119.134 119.137 -0.003 19538 10541 1 18 . 1 1 98 98 TYR HA H 98 4.482 4.482 4.288 0.194 19538 10542 1 18 . 1 1 98 98 TYR CA C 98 57.458 57.458 60.640 -3.182 19538 10543 1 18 . 1 1 98 98 TYR CB C 98 38.539 38.539 38.942 -0.403 19538 10544 1 18 . 1 1 98 98 TYR H H 98 7.918 7.918 8.552 -0.634 19538 10545 1 18 . 1 1 99 99 GLN N N 99 119.975 119.975 116.489 3.486 19538 10546 1 18 . 1 1 99 99 GLN HA H 99 4.440 4.440 4.632 -0.192 19538 10547 1 18 . 1 1 99 99 GLN CA C 99 53.092 53.092 52.441 0.651 19538 10548 1 18 . 1 1 99 99 GLN CB C 99 27.891 27.891 29.971 -2.080 19538 10549 1 18 . 1 1 99 99 GLN H H 99 7.992 7.992 7.969 0.023 19538 10550 1 18 . 1 1 100 100 PRO HA H 100 4.294 4.294 4.266 0.028 19538 10551 1 18 . 1 1 100 100 PRO CA C 100 62.415 62.415 61.733 0.682 19538 10552 1 18 . 1 1 100 100 PRO CB C 100 32.538 32.538 32.455 0.083 19538 10553 1 18 . 1 1 101 101 ASP N N 101 120.964 120.964 120.521 0.443 19538 10554 1 18 . 1 1 101 101 ASP HA H 101 4.654 4.654 4.513 0.141 19538 10555 1 18 . 1 1 101 101 ASP CA C 101 52.845 52.845 52.521 0.324 19538 10556 1 18 . 1 1 101 101 ASP CB C 101 42.316 42.316 41.701 0.615 19538 10557 1 18 . 1 1 101 101 ASP H H 101 8.225 8.225 8.754 -0.529 19538 10558 1 18 . 1 1 102 102 PHE N N 102 122.913 122.913 124.939 -2.026 19538 10559 1 18 . 1 1 102 102 PHE HA H 102 4.642 4.642 4.403 0.239 19538 10560 1 18 . 1 1 102 102 PHE CA C 102 57.341 57.341 58.907 -1.566 19538 10561 1 18 . 1 1 102 102 PHE CB C 102 38.576 38.576 37.503 1.073 19538 10562 1 18 . 1 1 102 102 PHE H H 102 9.014 9.014 8.515 0.499 19538 10563 1 18 . 1 1 103 103 ILE N N 103 117.131 117.131 123.891 -6.760 19538 10564 1 18 . 1 1 103 103 ILE HA H 103 4.464 4.464 3.737 0.727 19538 10565 1 18 . 1 1 103 103 ILE CA C 103 60.346 60.346 63.925 -3.579 19538 10566 1 18 . 1 1 103 103 ILE CB C 103 39.243 39.243 38.432 0.811 19538 10567 1 18 . 1 1 103 103 ILE H H 103 8.765 8.765 8.012 0.753 19538 10568 1 18 . 1 1 104 104 ASN N N 104 117.264 117.264 115.188 2.076 19538 10569 1 18 . 1 1 104 104 ASN HA H 104 4.913 4.913 5.346 -0.433 19538 10570 1 18 . 1 1 104 104 ASN CA C 104 52.710 52.710 52.672 0.038 19538 10571 1 18 . 1 1 104 104 ASN CB C 104 41.361 41.361 42.672 -1.311 19538 10572 1 18 . 1 1 104 104 ASN H H 104 7.441 7.441 8.369 -0.928 19538 10573 1 18 . 1 1 105 105 MET N N 105 125.685 125.685 121.182 4.503 19538 10574 1 18 . 1 1 105 105 MET HA H 105 5.484 5.484 5.547 -0.063 19538 10575 1 18 . 1 1 105 105 MET CA C 105 56.071 56.071 55.168 0.903 19538 10576 1 18 . 1 1 105 105 MET CB C 105 34.514 34.514 35.303 -0.789 19538 10577 1 18 . 1 1 105 105 MET H H 105 9.244 9.244 8.519 0.725 19538 10578 1 18 . 1 1 106 106 TYR N N 106 125.856 125.856 120.643 5.213 19538 10579 1 18 . 1 1 106 106 TYR HA H 106 5.438 5.438 5.360 0.078 19538 10580 1 18 . 1 1 106 106 TYR CA C 106 54.552 54.552 55.224 -0.672 19538 10581 1 18 . 1 1 106 106 TYR CB C 106 40.104 40.104 40.800 -0.696 19538 10582 1 18 . 1 1 106 106 TYR H H 106 8.893 8.893 9.019 -0.126 19538 10583 1 18 . 1 1 107 107 VAL N N 107 117.033 117.033 119.984 -2.951 19538 10584 1 18 . 1 1 107 107 VAL HA H 107 4.957 4.957 4.724 0.233 19538 10585 1 18 . 1 1 107 107 VAL CA C 107 60.008 60.008 60.876 -0.868 19538 10586 1 18 . 1 1 107 107 VAL CB C 107 35.319 35.319 34.859 0.460 19538 10587 1 18 . 1 1 107 107 VAL H H 107 9.041 9.041 9.297 -0.256 19538 10588 1 18 . 1 1 108 108 ASP N N 108 129.995 129.995 128.160 1.835 19538 10589 1 18 . 1 1 108 108 ASP HA H 108 5.240 5.240 4.986 0.254 19538 10590 1 18 . 1 1 108 108 ASP CA C 108 52.975 52.975 52.379 0.596 19538 10591 1 18 . 1 1 108 108 ASP CB C 108 42.245 42.245 42.372 -0.127 19538 10592 1 18 . 1 1 108 108 ASP H H 108 9.382 9.382 9.255 0.127 19538 10593 1 18 . 1 1 109 109 VAL N N 109 129.641 129.641 126.278 3.363 19538 10594 1 18 . 1 1 109 109 VAL HA H 109 4.464 4.464 4.500 -0.036 19538 10595 1 18 . 1 1 109 109 VAL CA C 109 58.694 58.694 58.686 0.008 19538 10596 1 18 . 1 1 109 109 VAL CB C 109 33.061 33.061 34.210 -1.149 19538 10597 1 18 . 1 1 109 109 VAL H H 109 9.181 9.181 8.144 1.037 19538 10598 1 18 . 1 1 110 110 PRO HA H 110 4.288 4.288 4.428 -0.140 19538 10599 1 18 . 1 1 110 110 PRO CA C 110 64.107 64.107 63.991 0.116 19538 10600 1 18 . 1 1 110 110 PRO CB C 110 31.557 31.557 32.218 -0.661 19538 10601 1 18 . 1 1 111 111 GLY N N 111 112.873 112.873 112.566 0.307 19538 10602 1 18 . 1 1 111 111 GLY CA C 111 44.872 44.872 45.527 -0.655 19538 10603 1 18 . 1 1 111 111 GLY H H 111 8.839 8.839 8.638 0.201 19538 10604 1 18 . 1 1 112 112 GLU N N 112 118.157 118.157 121.260 -3.103 19538 10605 1 18 . 1 1 112 112 GLU HA H 112 4.858 4.858 4.632 0.226 19538 10606 1 18 . 1 1 112 112 GLU CA C 112 52.732 52.732 54.964 -2.232 19538 10607 1 18 . 1 1 112 112 GLU CB C 112 31.513 31.513 31.601 -0.088 19538 10608 1 18 . 1 1 112 112 GLU H H 112 8.136 8.136 7.645 0.491 19538 10609 1 18 . 1 1 113 113 LYS N N 113 121.944 121.944 122.082 -0.138 19538 10610 1 18 . 1 1 113 113 LYS HA H 113 4.208 4.208 4.338 -0.130 19538 10611 1 18 . 1 1 113 113 LYS CA C 113 55.810 55.810 56.285 -0.475 19538 10612 1 18 . 1 1 113 113 LYS CB C 113 32.157 32.157 32.834 -0.677 19538 10613 1 18 . 1 1 113 113 LYS H H 113 8.847 8.847 8.374 0.473 19538 10614 1 18 . 1 1 114 114 ARG N N 114 126.520 126.520 123.772 2.748 19538 10615 1 18 . 1 1 114 114 ARG HA H 114 4.064 4.064 4.174 -0.110 19538 10616 1 18 . 1 1 114 114 ARG CA C 114 57.914 57.914 57.070 0.844 19538 10617 1 18 . 1 1 114 114 ARG CB C 114 30.627 30.627 30.501 0.126 19538 10618 1 18 . 1 1 114 114 ARG H H 114 8.539 8.539 8.458 0.081 19538 10619 1 18 . 1 1 115 115 TYR N N 115 128.478 128.478 126.889 1.589 19538 10620 1 18 . 1 1 115 115 TYR HA H 115 4.671 4.671 4.844 -0.173 19538 10621 1 18 . 1 1 115 115 TYR CA C 115 56.519 56.519 56.834 -0.314 19538 10622 1 18 . 1 1 115 115 TYR CB C 115 40.193 40.193 41.809 -1.616 19538 10623 1 18 . 1 1 115 115 TYR H H 115 8.333 8.333 8.408 -0.075 19538 10624 1 18 . 1 1 116 116 TYR N N 116 127.101 127.101 128.185 -1.084 19538 10625 1 18 . 1 1 116 116 TYR HA H 116 4.553 4.553 4.739 -0.186 19538 10626 1 18 . 1 1 116 116 TYR CA C 116 58.502 58.502 58.119 0.383 19538 10627 1 18 . 1 1 116 116 TYR CB C 116 38.842 38.842 37.979 0.863 19538 10628 1 18 . 1 1 116 116 TYR H H 116 8.740 8.740 8.595 0.145 19538 10629 1 18 . 1 1 117 117 LEU N N 117 125.574 125.574 125.026 0.548 19538 10630 1 18 . 1 1 117 117 LEU HA H 117 4.394 4.394 4.090 0.304 19538 10631 1 18 . 1 1 117 117 LEU CA C 117 57.384 57.384 56.719 0.665 19538 10632 1 18 . 1 1 117 117 LEU CB C 117 43.272 43.272 43.026 0.246 19538 10633 1 18 . 1 1 117 117 LEU H H 117 8.427 8.427 8.494 -0.067 19538 10634 1 18 . 1 1 118 118 ILE N N 118 118.478 118.478 118.598 -0.120 19538 10635 1 18 . 1 1 118 118 ILE HA H 118 4.199 4.199 4.298 -0.099 19538 10636 1 18 . 1 1 118 118 ILE CA C 118 60.074 60.074 60.165 -0.091 19538 10637 1 18 . 1 1 118 118 ILE CB C 118 40.895 40.895 39.861 1.034 19538 10638 1 18 . 1 1 118 118 ILE H H 118 7.983 7.983 8.379 -0.396 19538 10639 1 18 . 1 1 119 119 LYS N N 119 127.589 127.589 128.810 -1.221 19538 10640 1 18 . 1 1 119 119 LYS HA H 119 4.778 4.778 4.692 0.086 19538 10641 1 18 . 1 1 119 119 LYS CA C 119 53.232 53.232 52.827 0.405 19538 10642 1 18 . 1 1 119 119 LYS CB C 119 32.581 32.581 31.033 1.548 19538 10643 1 18 . 1 1 119 119 LYS H H 119 8.550 8.550 8.601 -0.051 19538 10644 1 18 . 1 1 120 120 PRO HA H 120 4.534 4.534 4.683 -0.149 19538 10645 1 18 . 1 1 120 120 PRO CA C 120 62.395 62.395 62.303 0.091 19538 10646 1 18 . 1 1 120 120 PRO CB C 120 32.059 32.059 32.492 -0.433 19538 10647 1 18 . 1 1 121 121 LYS N N 121 122.191 122.191 122.714 -0.523 19538 10648 1 18 . 1 1 121 121 LYS HA H 121 4.136 4.136 4.144 -0.008 19538 10649 1 18 . 1 1 121 121 LYS CA C 121 55.840 55.840 56.388 -0.548 19538 10650 1 18 . 1 1 121 121 LYS CB C 121 33.162 33.162 29.534 3.628 19538 10651 1 18 . 1 1 121 121 LYS H H 121 8.406 8.406 8.615 -0.209 19538 10652 1 18 . 1 1 122 122 LEU N N 122 122.972 122.972 120.109 2.863 19538 10653 1 18 . 1 1 122 122 LEU HA H 122 4.219 4.219 3.909 0.310 19538 10654 1 18 . 1 1 122 122 LEU CA C 122 54.494 54.494 56.534 -2.040 19538 10655 1 18 . 1 1 122 122 LEU CB C 122 41.990 41.990 42.295 -0.305 19538 10656 1 18 . 1 1 122 122 LEU H H 122 8.158 8.158 8.780 -0.622 19538 10657 1 18 . 1 1 123 123 HIS N N 123 121.608 121.608 113.577 8.031 19538 10658 1 18 . 1 1 123 123 HIS HA H 123 4.776 4.776 4.826 -0.050 19538 10659 1 18 . 1 1 123 123 HIS CA C 123 53.651 53.651 53.639 0.012 19538 10660 1 18 . 1 1 123 123 HIS CB C 123 30.145 30.145 31.514 -1.369 19538 10661 1 18 . 1 1 123 123 HIS H H 123 8.172 8.172 7.872 0.300 19538 10662 1 18 . 1 1 124 124 PRO HA H 124 4.085 4.085 4.496 -0.411 19538 10663 1 18 . 1 1 124 124 PRO CA C 124 62.119 62.119 62.616 -0.497 19538 10664 1 18 . 1 1 124 124 PRO CB C 124 33.900 33.900 33.083 0.817 19538 10665 1 18 . 1 1 125 125 VAL N N 125 120.758 120.758 118.188 2.570 19538 10666 1 18 . 1 1 125 125 VAL HA H 125 4.085 4.085 3.842 0.243 19538 10667 1 18 . 1 1 125 125 VAL CA C 125 61.791 61.791 64.457 -2.666 19538 10668 1 18 . 1 1 125 125 VAL CB C 125 32.635 32.635 31.695 0.940 19538 10669 1 18 . 1 1 125 125 VAL H H 125 8.361 8.361 8.210 0.151 19538 10670 1 18 . 1 1 126 126 SER N N 126 119.450 119.450 116.133 3.317 19538 10671 1 18 . 1 1 126 126 SER HA H 126 4.417 4.417 4.580 -0.163 19538 10672 1 18 . 1 1 126 126 SER CA C 126 57.522 57.522 58.684 -1.162 19538 10673 1 18 . 1 1 126 126 SER CB C 126 63.634 63.634 63.602 0.032 19538 10674 1 18 . 1 1 126 126 SER H H 126 8.323 8.323 7.977 0.346 19538 10675 1 19 . 1 1 2 2 ALA N N 2 122.815 122.815 122.837 -0.022 19538 10676 1 19 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.662 -0.369 19538 10677 1 19 . 1 1 2 2 ALA CA C 2 52.085 52.085 52.046 0.039 19538 10678 1 19 . 1 1 2 2 ALA CB C 2 19.067 19.067 17.834 1.233 19538 10679 1 19 . 1 1 2 2 ALA H H 2 8.102 8.102 8.444 -0.342 19538 10680 1 19 . 1 1 3 3 MET N N 3 119.897 119.897 123.401 -3.504 19538 10681 1 19 . 1 1 3 3 MET HA H 3 4.401 4.401 4.034 0.367 19538 10682 1 19 . 1 1 3 3 MET CA C 3 55.339 55.339 58.224 -2.885 19538 10683 1 19 . 1 1 3 3 MET CB C 3 32.938 32.938 32.574 0.364 19538 10684 1 19 . 1 1 3 3 MET H H 3 8.501 8.501 8.180 0.322 19538 10685 1 19 . 1 1 4 4 GLY N N 4 110.174 110.174 102.294 7.880 19538 10686 1 19 . 1 1 4 4 GLY CA C 4 44.706 44.706 44.427 0.279 19538 10687 1 19 . 1 1 4 4 GLY H H 4 8.498 8.498 8.537 -0.039 19538 10688 1 19 . 1 1 5 5 SER HA H 5 4.368 4.368 4.354 0.014 19538 10689 1 19 . 1 1 5 5 SER CA C 5 58.467 58.467 59.182 -0.715 19538 10690 1 19 . 1 1 5 5 SER CB C 5 63.530 63.530 62.515 1.015 19538 10691 1 19 . 1 1 6 6 GLY CA C 6 45.983 45.983 47.813 -1.830 19538 10692 1 19 . 1 1 7 7 ASP N N 7 122.649 122.649 121.026 1.623 19538 10693 1 19 . 1 1 7 7 ASP HA H 7 4.375 4.375 4.460 -0.085 19538 10694 1 19 . 1 1 7 7 ASP CA C 7 56.523 56.523 57.117 -0.595 19538 10695 1 19 . 1 1 7 7 ASP CB C 7 40.235 40.235 39.483 0.752 19538 10696 1 19 . 1 1 7 7 ASP H H 7 8.457 8.457 8.351 0.106 19538 10697 1 19 . 1 1 8 8 THR N N 8 116.751 116.751 117.239 -0.488 19538 10698 1 19 . 1 1 8 8 THR HA H 8 3.853 3.853 4.046 -0.193 19538 10699 1 19 . 1 1 8 8 THR CA C 8 66.104 66.104 67.166 -1.062 19538 10700 1 19 . 1 1 8 8 THR CB C 8 68.047 68.047 68.495 -0.448 19538 10701 1 19 . 1 1 8 8 THR H H 8 8.128 8.128 7.927 0.201 19538 10702 1 19 . 1 1 9 9 GLN N N 9 120.186 120.186 121.602 -1.416 19538 10703 1 19 . 1 1 9 9 GLN HA H 9 4.038 4.038 4.155 -0.117 19538 10704 1 19 . 1 1 9 9 GLN CA C 9 58.699 58.699 59.400 -0.701 19538 10705 1 19 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.623 -0.523 19538 10706 1 19 . 1 1 9 9 GLN H H 9 7.831 7.831 8.918 -1.087 19538 10707 1 19 . 1 1 10 10 LEU N N 10 120.735 120.735 120.494 0.241 19538 10708 1 19 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.221 -0.304 19538 10709 1 19 . 1 1 10 10 LEU CA C 10 58.126 58.126 58.265 -0.139 19538 10710 1 19 . 1 1 10 10 LEU CB C 10 41.935 41.935 41.748 0.188 19538 10711 1 19 . 1 1 10 10 LEU H H 10 7.670 7.670 8.978 -1.308 19538 10712 1 19 . 1 1 11 11 PHE N N 11 117.802 117.802 120.612 -2.810 19538 10713 1 19 . 1 1 11 11 PHE HA H 11 3.821 3.821 3.851 -0.030 19538 10714 1 19 . 1 1 11 11 PHE CA C 11 60.224 60.224 61.959 -1.735 19538 10715 1 19 . 1 1 11 11 PHE CB C 11 38.798 38.798 38.788 0.009 19538 10716 1 19 . 1 1 11 11 PHE H H 11 7.939 7.939 9.218 -1.279 19538 10717 1 19 . 1 1 12 12 ASN N N 12 117.152 117.152 118.366 -1.214 19538 10718 1 19 . 1 1 12 12 ASN HA H 12 3.868 3.868 4.003 -0.135 19538 10719 1 19 . 1 1 12 12 ASN CA C 12 55.410 55.410 56.826 -1.416 19538 10720 1 19 . 1 1 12 12 ASN CB C 12 37.188 37.188 38.138 -0.950 19538 10721 1 19 . 1 1 12 12 ASN H H 12 8.562 8.562 8.971 -0.409 19538 10722 1 19 . 1 1 13 13 ARG N N 13 119.825 119.825 121.378 -1.553 19538 10723 1 19 . 1 1 13 13 ARG HA H 13 3.914 3.914 3.959 -0.045 19538 10724 1 19 . 1 1 13 13 ARG CA C 13 58.623 58.623 59.569 -0.946 19538 10725 1 19 . 1 1 13 13 ARG CB C 13 31.719 31.719 30.162 1.558 19538 10726 1 19 . 1 1 13 13 ARG H H 13 8.006 8.006 8.635 -0.629 19538 10727 1 19 . 1 1 14 14 ALA N N 14 122.749 122.749 122.454 0.295 19538 10728 1 19 . 1 1 14 14 ALA HA H 14 3.938 3.938 3.906 0.032 19538 10729 1 19 . 1 1 14 14 ALA CA C 14 54.976 54.976 55.061 -0.085 19538 10730 1 19 . 1 1 14 14 ALA CB C 14 19.446 19.446 18.601 0.845 19538 10731 1 19 . 1 1 14 14 ALA H H 14 8.163 8.163 8.578 -0.415 19538 10732 1 19 . 1 1 15 15 VAL N N 15 118.460 118.460 118.733 -0.273 19538 10733 1 19 . 1 1 15 15 VAL HA H 15 3.219 3.219 3.564 -0.345 19538 10734 1 19 . 1 1 15 15 VAL CA C 15 66.611 66.611 66.364 0.247 19538 10735 1 19 . 1 1 15 15 VAL CB C 15 30.889 30.889 31.367 -0.478 19538 10736 1 19 . 1 1 15 15 VAL H H 15 8.718 8.718 8.476 0.242 19538 10737 1 19 . 1 1 16 16 SER N N 16 113.102 113.102 116.178 -3.076 19538 10738 1 19 . 1 1 16 16 SER HA H 16 4.144 4.144 4.067 0.077 19538 10739 1 19 . 1 1 16 16 SER CA C 16 60.888 60.888 62.241 -1.353 19538 10740 1 19 . 1 1 16 16 SER CB C 16 62.503 62.503 62.992 -0.489 19538 10741 1 19 . 1 1 16 16 SER H H 16 7.243 7.243 8.559 -1.316 19538 10742 1 19 . 1 1 17 17 MET N N 17 117.447 117.447 119.955 -2.508 19538 10743 1 19 . 1 1 17 17 MET HA H 17 3.875 3.875 4.057 -0.182 19538 10744 1 19 . 1 1 17 17 MET CA C 17 58.575 58.575 59.039 -0.464 19538 10745 1 19 . 1 1 17 17 MET CB C 17 33.489 33.489 32.791 0.698 19538 10746 1 19 . 1 1 17 17 MET H H 17 7.232 7.232 7.969 -0.737 19538 10747 1 19 . 1 1 18 18 VAL N N 18 117.842 117.842 114.604 3.238 19538 10748 1 19 . 1 1 18 18 VAL HA H 18 3.357 3.357 3.774 -0.417 19538 10749 1 19 . 1 1 18 18 VAL CA C 18 66.065 66.065 65.444 0.621 19538 10750 1 19 . 1 1 18 18 VAL CB C 18 31.686 31.686 31.509 0.177 19538 10751 1 19 . 1 1 18 18 VAL H H 18 7.678 7.678 8.027 -0.349 19538 10752 1 19 . 1 1 19 19 GLU N N 19 113.150 113.150 119.776 -6.626 19538 10753 1 19 . 1 1 19 19 GLU HA H 19 3.618 3.618 3.968 -0.350 19538 10754 1 19 . 1 1 19 19 GLU CA C 19 58.198 58.198 59.570 -1.372 19538 10755 1 19 . 1 1 19 19 GLU CB C 19 29.786 29.786 29.709 0.077 19538 10756 1 19 . 1 1 19 19 GLU H H 19 8.378 8.378 8.542 -0.164 19538 10757 1 19 . 1 1 20 20 LYS N N 20 114.076 114.076 114.186 -0.110 19538 10758 1 19 . 1 1 20 20 LYS HA H 20 4.243 4.243 4.289 -0.046 19538 10759 1 19 . 1 1 20 20 LYS CA C 20 55.725 55.725 55.208 0.517 19538 10760 1 19 . 1 1 20 20 LYS CB C 20 33.032 33.032 32.326 0.706 19538 10761 1 19 . 1 1 20 20 LYS H H 20 7.072 7.072 7.477 -0.405 19538 10762 1 19 . 1 1 21 21 ASN N N 21 121.025 121.025 120.881 0.144 19538 10763 1 19 . 1 1 21 21 ASN HA H 21 4.555 4.555 4.492 0.063 19538 10764 1 19 . 1 1 21 21 ASN CA C 21 53.766 53.766 53.189 0.577 19538 10765 1 19 . 1 1 21 21 ASN CB C 21 39.835 39.835 38.919 0.916 19538 10766 1 19 . 1 1 21 21 ASN H H 21 7.230 7.230 7.287 -0.057 19538 10767 1 19 . 1 1 22 22 LYS N N 22 128.112 128.112 127.463 0.649 19538 10768 1 19 . 1 1 22 22 LYS HA H 22 3.698 3.698 3.887 -0.189 19538 10769 1 19 . 1 1 22 22 LYS CA C 22 59.519 59.519 59.898 -0.379 19538 10770 1 19 . 1 1 22 22 LYS CB C 22 32.140 32.140 31.393 0.747 19538 10771 1 19 . 1 1 22 22 LYS H H 22 8.846 8.846 8.750 0.096 19538 10772 1 19 . 1 1 23 23 ASP N N 23 120.250 120.250 120.545 -0.295 19538 10773 1 19 . 1 1 23 23 ASP HA H 23 4.297 4.297 4.427 -0.130 19538 10774 1 19 . 1 1 23 23 ASP CA C 23 56.787 56.787 57.133 -0.346 19538 10775 1 19 . 1 1 23 23 ASP CB C 23 39.444 39.444 40.514 -1.070 19538 10776 1 19 . 1 1 23 23 ASP H H 23 7.731 7.731 8.088 -0.357 19538 10777 1 19 . 1 1 24 24 ILE N N 24 121.988 121.988 120.922 1.066 19538 10778 1 19 . 1 1 24 24 ILE HA H 24 3.219 3.219 3.276 -0.057 19538 10779 1 19 . 1 1 24 24 ILE CA C 24 63.375 63.375 65.573 -2.198 19538 10780 1 19 . 1 1 24 24 ILE CB C 24 35.424 35.424 37.595 -2.171 19538 10781 1 19 . 1 1 24 24 ILE H H 24 8.431 8.431 8.589 -0.158 19538 10782 1 19 . 1 1 25 25 ARG N N 25 118.181 118.181 120.371 -2.190 19538 10783 1 19 . 1 1 25 25 ARG HA H 25 3.810 3.810 3.841 -0.031 19538 10784 1 19 . 1 1 25 25 ARG CA C 25 60.546 60.546 60.522 0.024 19538 10785 1 19 . 1 1 25 25 ARG CB C 25 30.205 30.205 29.919 0.286 19538 10786 1 19 . 1 1 25 25 ARG H H 25 8.206 8.206 8.882 -0.676 19538 10787 1 19 . 1 1 26 26 SER N N 26 112.549 112.549 116.113 -3.564 19538 10788 1 19 . 1 1 26 26 SER HA H 26 4.373 4.373 4.189 0.184 19538 10789 1 19 . 1 1 26 26 SER CA C 26 61.040 61.040 62.281 -1.241 19538 10790 1 19 . 1 1 26 26 SER CB C 26 62.096 62.096 62.918 -0.822 19538 10791 1 19 . 1 1 26 26 SER H H 26 7.518 7.518 8.400 -0.882 19538 10792 1 19 . 1 1 27 27 LEU N N 27 125.275 125.275 122.569 2.706 19538 10793 1 19 . 1 1 27 27 LEU HA H 27 4.013 4.013 4.041 -0.028 19538 10794 1 19 . 1 1 27 27 LEU CA C 27 57.652 57.652 57.449 0.203 19538 10795 1 19 . 1 1 27 27 LEU CB C 27 42.548 42.548 42.030 0.518 19538 10796 1 19 . 1 1 27 27 LEU H H 27 8.050 8.050 8.006 0.044 19538 10797 1 19 . 1 1 28 28 LEU N N 28 114.725 114.725 113.506 1.219 19538 10798 1 19 . 1 1 28 28 LEU HA H 28 3.863 3.863 4.257 -0.394 19538 10799 1 19 . 1 1 28 28 LEU CA C 28 54.299 54.299 54.715 -0.416 19538 10800 1 19 . 1 1 28 28 LEU CB C 28 42.874 42.874 41.874 1.000 19538 10801 1 19 . 1 1 28 28 LEU H H 28 8.010 8.010 8.391 -0.381 19538 10802 1 19 . 1 1 29 29 GLN N N 29 116.444 116.444 114.604 1.840 19538 10803 1 19 . 1 1 29 29 GLN HA H 29 3.854 3.854 3.974 -0.120 19538 10804 1 19 . 1 1 29 29 GLN CA C 29 55.652 55.652 56.802 -1.150 19538 10805 1 19 . 1 1 29 29 GLN CB C 29 25.300 25.300 25.506 -0.206 19538 10806 1 19 . 1 1 29 29 GLN H H 29 7.972 7.972 7.898 0.074 19538 10807 1 19 . 1 1 30 30 CYS N N 30 116.363 116.363 118.478 -2.115 19538 10808 1 19 . 1 1 30 30 CYS HA H 30 4.133 4.133 4.191 -0.058 19538 10809 1 19 . 1 1 30 30 CYS CA C 30 61.559 61.559 59.854 1.705 19538 10810 1 19 . 1 1 30 30 CYS CB C 30 27.701 27.701 25.604 2.097 19538 10811 1 19 . 1 1 30 30 CYS H H 30 7.847 7.847 8.854 -1.007 19538 10812 1 19 . 1 1 31 31 ASP N N 31 125.091 125.091 122.808 2.283 19538 10813 1 19 . 1 1 31 31 ASP HA H 31 4.598 4.598 4.568 0.030 19538 10814 1 19 . 1 1 31 31 ASP CA C 31 52.428 52.428 56.165 -3.737 19538 10815 1 19 . 1 1 31 31 ASP CB C 31 39.156 39.156 41.432 -2.276 19538 10816 1 19 . 1 1 31 31 ASP H H 31 9.918 9.918 8.661 1.257 19538 10817 1 19 . 1 1 32 32 ASP N N 32 124.593 124.593 116.626 7.967 19538 10818 1 19 . 1 1 32 32 ASP HA H 32 5.131 5.131 4.365 0.766 19538 10819 1 19 . 1 1 32 32 ASP CA C 32 52.190 52.190 55.939 -3.749 19538 10820 1 19 . 1 1 32 32 ASP CB C 32 41.542 41.542 40.944 0.598 19538 10821 1 19 . 1 1 32 32 ASP H H 32 7.532 7.532 7.818 -0.286 19538 10822 1 19 . 1 1 33 33 GLY N N 33 109.888 109.888 108.241 1.647 19538 10823 1 19 . 1 1 33 33 GLY CA C 33 44.840 44.840 46.766 -1.926 19538 10824 1 19 . 1 1 33 33 GLY H H 33 7.912 7.912 8.700 -0.788 19538 10825 1 19 . 1 1 34 34 ILE HA H 34 3.978 3.978 4.125 -0.147 19538 10826 1 19 . 1 1 34 34 ILE CA C 34 63.210 63.210 63.472 -0.262 19538 10827 1 19 . 1 1 34 34 ILE CB C 34 38.027 38.027 38.347 -0.320 19538 10828 1 19 . 1 1 35 35 THR N N 35 109.823 109.823 113.221 -3.398 19538 10829 1 19 . 1 1 35 35 THR HA H 35 4.291 4.291 4.469 -0.178 19538 10830 1 19 . 1 1 35 35 THR CA C 35 61.511 61.511 60.557 0.954 19538 10831 1 19 . 1 1 35 35 THR CB C 35 68.374 68.374 67.720 0.654 19538 10832 1 19 . 1 1 35 35 THR H H 35 7.995 7.995 7.666 0.329 19538 10833 1 19 . 1 1 36 36 GLY N N 36 109.916 109.916 110.577 -0.661 19538 10834 1 19 . 1 1 36 36 GLY CA C 36 44.282 44.282 45.298 -1.016 19538 10835 1 19 . 1 1 36 36 GLY H H 36 7.564 7.564 7.503 0.062 19538 10836 1 19 . 1 1 37 37 LYS N N 37 119.833 119.833 123.391 -3.558 19538 10837 1 19 . 1 1 37 37 LYS HA H 37 4.442 4.442 4.966 -0.524 19538 10838 1 19 . 1 1 37 37 LYS CA C 37 54.520 54.520 55.446 -0.926 19538 10839 1 19 . 1 1 37 37 LYS CB C 37 33.208 33.208 34.093 -0.885 19538 10840 1 19 . 1 1 37 37 LYS H H 37 8.236 8.236 8.214 0.022 19538 10841 1 19 . 1 1 38 38 GLU N N 38 125.697 125.697 124.491 1.206 19538 10842 1 19 . 1 1 38 38 GLU HA H 38 3.907 3.907 4.482 -0.575 19538 10843 1 19 . 1 1 38 38 GLU CA C 38 56.731 56.731 55.096 1.635 19538 10844 1 19 . 1 1 38 38 GLU CB C 38 29.779 29.779 31.817 -2.038 19538 10845 1 19 . 1 1 38 38 GLU H H 38 8.175 8.175 8.183 -0.008 19538 10846 1 19 . 1 1 39 39 ARG N N 39 128.738 128.738 121.572 7.166 19538 10847 1 19 . 1 1 39 39 ARG HA H 39 4.260 4.260 4.537 -0.277 19538 10848 1 19 . 1 1 39 39 ARG CA C 39 55.343 55.343 55.156 0.187 19538 10849 1 19 . 1 1 39 39 ARG CB C 39 29.529 29.529 29.976 -0.447 19538 10850 1 19 . 1 1 39 39 ARG H H 39 8.920 8.920 8.615 0.305 19538 10851 1 19 . 1 1 40 40 LEU N N 40 127.659 127.659 125.709 1.950 19538 10852 1 19 . 1 1 40 40 LEU HA H 40 4.488 4.488 5.074 -0.586 19538 10853 1 19 . 1 1 40 40 LEU CA C 40 53.848 53.848 54.447 -0.599 19538 10854 1 19 . 1 1 40 40 LEU CB C 40 42.333 42.333 43.379 -1.046 19538 10855 1 19 . 1 1 40 40 LEU H H 40 8.670 8.670 8.523 0.147 19538 10856 1 19 . 1 1 41 41 LYS N N 41 121.136 121.136 122.506 -1.370 19538 10857 1 19 . 1 1 41 41 LYS HA H 41 4.647 4.647 4.753 -0.106 19538 10858 1 19 . 1 1 41 41 LYS CA C 41 55.062 55.062 54.530 0.532 19538 10859 1 19 . 1 1 41 41 LYS CB C 41 35.064 35.064 37.248 -2.183 19538 10860 1 19 . 1 1 41 41 LYS H H 41 8.273 8.273 8.998 -0.725 19538 10861 1 19 . 1 1 42 42 ALA N N 42 123.758 123.758 124.433 -0.675 19538 10862 1 19 . 1 1 42 42 ALA HA H 42 5.605 5.605 5.277 0.328 19538 10863 1 19 . 1 1 42 42 ALA CA C 42 50.529 50.529 51.140 -0.611 19538 10864 1 19 . 1 1 42 42 ALA CB C 42 22.577 22.577 22.056 0.521 19538 10865 1 19 . 1 1 42 42 ALA H H 42 8.488 8.488 8.495 -0.007 19538 10866 1 19 . 1 1 43 43 TYR N N 43 116.716 116.716 119.741 -3.025 19538 10867 1 19 . 1 1 43 43 TYR HA H 43 4.758 4.758 4.807 -0.049 19538 10868 1 19 . 1 1 43 43 TYR CA C 43 55.975 55.975 56.276 -0.301 19538 10869 1 19 . 1 1 43 43 TYR CB C 43 38.409 38.409 39.275 -0.866 19538 10870 1 19 . 1 1 43 43 TYR H H 43 8.123 8.123 9.102 -0.979 19538 10871 1 19 . 1 1 44 44 GLY N N 44 106.591 106.591 107.007 -0.416 19538 10872 1 19 . 1 1 44 44 GLY CA C 44 45.172 45.172 44.707 0.465 19538 10873 1 19 . 1 1 44 44 GLY H H 44 8.663 8.663 8.646 0.017 19538 10874 1 19 . 1 1 45 45 GLU N N 45 118.850 118.850 119.097 -0.247 19538 10875 1 19 . 1 1 45 45 GLU HA H 45 4.310 4.310 3.831 0.479 19538 10876 1 19 . 1 1 45 45 GLU CA C 45 56.286 56.286 56.820 -0.534 19538 10877 1 19 . 1 1 45 45 GLU CB C 45 31.304 31.304 29.896 1.408 19538 10878 1 19 . 1 1 45 45 GLU H H 45 8.287 8.287 8.206 0.081 19538 10879 1 19 . 1 1 46 46 LEU N N 46 124.692 124.692 126.139 -1.447 19538 10880 1 19 . 1 1 46 46 LEU HA H 46 4.361 4.361 4.275 0.086 19538 10881 1 19 . 1 1 46 46 LEU CA C 46 54.967 54.967 57.916 -2.949 19538 10882 1 19 . 1 1 46 46 LEU CB C 46 41.980 41.980 42.309 -0.329 19538 10883 1 19 . 1 1 46 46 LEU H H 46 9.010 9.010 7.406 1.604 19538 10884 1 19 . 1 1 47 47 ILE N N 47 123.302 123.302 112.717 10.585 19538 10885 1 19 . 1 1 47 47 ILE HA H 47 4.272 4.272 4.020 0.252 19538 10886 1 19 . 1 1 47 47 ILE CA C 47 60.399 60.399 62.558 -2.159 19538 10887 1 19 . 1 1 47 47 ILE CB C 47 38.676 38.676 37.750 0.926 19538 10888 1 19 . 1 1 47 47 ILE H H 47 8.407 8.407 7.616 0.791 19538 10889 1 19 . 1 1 48 48 THR N N 48 117.749 117.749 116.856 0.893 19538 10890 1 19 . 1 1 48 48 THR HA H 48 4.330 4.330 4.123 0.207 19538 10891 1 19 . 1 1 48 48 THR CA C 48 61.234 61.234 65.880 -4.646 19538 10892 1 19 . 1 1 48 48 THR CB C 48 69.327 69.327 68.624 0.703 19538 10893 1 19 . 1 1 48 48 THR H H 48 8.183 8.183 7.857 0.326 19538 10894 1 19 . 1 1 49 49 ASN N N 49 120.102 120.102 117.472 2.630 19538 10895 1 19 . 1 1 49 49 ASN HA H 49 4.585 4.585 4.464 0.121 19538 10896 1 19 . 1 1 49 49 ASN CA C 49 53.193 53.193 53.330 -0.137 19538 10897 1 19 . 1 1 49 49 ASN CB C 49 38.261 38.261 37.713 0.548 19538 10898 1 19 . 1 1 49 49 ASN H H 49 8.418 8.418 8.177 0.241 19538 10899 1 19 . 1 1 50 50 ASP N N 50 119.783 119.783 121.562 -1.779 19538 10900 1 19 . 1 1 50 50 ASP HA H 50 4.454 4.454 4.385 0.070 19538 10901 1 19 . 1 1 50 50 ASP CA C 50 53.950 53.950 56.874 -2.924 19538 10902 1 19 . 1 1 50 50 ASP CB C 50 41.231 41.231 41.307 -0.076 19538 10903 1 19 . 1 1 50 50 ASP H H 50 8.096 8.096 7.594 0.502 19538 10904 1 19 . 1 1 51 51 LYS N N 51 120.547 120.547 117.980 2.567 19538 10905 1 19 . 1 1 51 51 LYS HA H 51 4.017 4.017 4.449 -0.432 19538 10906 1 19 . 1 1 51 51 LYS CA C 51 56.633 56.633 57.323 -0.690 19538 10907 1 19 . 1 1 51 51 LYS CB C 51 32.052 32.052 33.895 -1.843 19538 10908 1 19 . 1 1 51 51 LYS H H 51 8.173 8.173 7.657 0.516 19538 10909 1 19 . 1 1 52 52 TRP N N 52 120.062 120.062 120.850 -0.788 19538 10910 1 19 . 1 1 52 52 TRP HA H 52 4.617 4.617 4.933 -0.316 19538 10911 1 19 . 1 1 52 52 TRP CA C 52 57.045 57.045 57.145 -0.100 19538 10912 1 19 . 1 1 52 52 TRP CB C 52 29.251 29.251 30.873 -1.623 19538 10913 1 19 . 1 1 52 52 TRP H H 52 8.094 8.094 8.254 -0.160 19538 10914 1 19 . 1 1 53 53 THR N N 53 115.770 115.770 109.887 5.883 19538 10915 1 19 . 1 1 53 53 THR HA H 53 4.262 4.262 4.309 -0.047 19538 10916 1 19 . 1 1 53 53 THR CA C 53 61.625 61.625 62.291 -0.666 19538 10917 1 19 . 1 1 53 53 THR CB C 53 69.153 69.153 68.279 0.874 19538 10918 1 19 . 1 1 53 53 THR H H 53 7.789 7.789 7.835 -0.046 19538 10919 1 19 . 1 1 54 54 ARG N N 54 122.136 122.136 120.899 1.237 19538 10920 1 19 . 1 1 54 54 ARG HA H 54 4.133 4.133 3.999 0.134 19538 10921 1 19 . 1 1 54 54 ARG CA C 54 56.038 56.038 57.004 -0.966 19538 10922 1 19 . 1 1 54 54 ARG CB C 54 30.441 30.441 28.825 1.616 19538 10923 1 19 . 1 1 54 54 ARG H H 54 8.191 8.191 8.238 -0.047 19538 10924 1 19 . 1 1 55 55 ASN N N 55 117.842 117.842 117.303 0.539 19538 10925 1 19 . 1 1 55 55 ASN HA H 55 4.713 4.713 4.392 0.321 19538 10926 1 19 . 1 1 55 55 ASN CA C 55 52.873 52.873 55.612 -2.739 19538 10927 1 19 . 1 1 55 55 ASN CB C 55 38.769 38.769 38.682 0.087 19538 10928 1 19 . 1 1 55 55 ASN H H 55 8.205 8.205 8.253 -0.048 19538 10929 1 19 . 1 1 56 56 ARG N N 56 121.615 121.615 118.417 3.198 19538 10930 1 19 . 1 1 56 56 ARG HA H 56 4.542 4.542 4.775 -0.233 19538 10931 1 19 . 1 1 56 56 ARG CA C 56 53.765 53.765 53.309 0.456 19538 10932 1 19 . 1 1 56 56 ARG CB C 56 30.009 30.009 30.997 -0.988 19538 10933 1 19 . 1 1 56 56 ARG H H 56 8.246 8.246 8.289 -0.043 19538 10934 1 19 . 1 1 57 57 PRO HA H 57 4.273 4.273 4.710 -0.437 19538 10935 1 19 . 1 1 57 57 PRO CA C 57 62.424 62.424 61.109 1.315 19538 10936 1 19 . 1 1 57 57 PRO CB C 57 31.987 31.987 32.967 -0.980 19538 10937 1 19 . 1 1 58 58 ILE N N 58 122.700 122.700 120.302 2.398 19538 10938 1 19 . 1 1 58 58 ILE HA H 58 4.089 4.089 3.977 0.112 19538 10939 1 19 . 1 1 58 58 ILE CA C 58 60.655 60.655 62.410 -1.755 19538 10940 1 19 . 1 1 58 58 ILE CB C 58 37.111 37.111 35.795 1.316 19538 10941 1 19 . 1 1 58 58 ILE H H 58 8.098 8.098 8.197 -0.099 19538 10942 1 19 . 1 1 59 59 VAL N N 59 124.097 124.097 118.903 5.194 19538 10943 1 19 . 1 1 59 59 VAL HA H 59 4.549 4.549 4.602 -0.053 19538 10944 1 19 . 1 1 59 59 VAL CA C 59 59.613 59.613 58.535 1.078 19538 10945 1 19 . 1 1 59 59 VAL CB C 59 34.980 34.980 35.303 -0.323 19538 10946 1 19 . 1 1 59 59 VAL H H 59 8.167 8.167 8.312 -0.145 19538 10947 1 19 . 1 1 60 60 SER N N 60 119.752 119.752 116.197 3.555 19538 10948 1 19 . 1 1 60 60 SER HA H 60 5.136 5.136 5.183 -0.047 19538 10949 1 19 . 1 1 60 60 SER CA C 60 56.467 56.467 56.437 0.030 19538 10950 1 19 . 1 1 60 60 SER CB C 60 64.890 64.890 64.117 0.773 19538 10951 1 19 . 1 1 60 60 SER H H 60 8.592 8.592 8.559 0.033 19538 10952 1 19 . 1 1 61 61 THR N N 61 117.559 117.559 118.224 -0.665 19538 10953 1 19 . 1 1 61 61 THR HA H 61 4.576 4.576 4.257 0.319 19538 10954 1 19 . 1 1 61 61 THR CA C 61 61.348 61.348 61.772 -0.424 19538 10955 1 19 . 1 1 61 61 THR CB C 61 70.276 70.276 68.551 1.725 19538 10956 1 19 . 1 1 61 61 THR H H 61 9.214 9.214 9.110 0.104 19538 10957 1 19 . 1 1 62 62 LYS N N 62 123.743 123.743 127.562 -3.819 19538 10958 1 19 . 1 1 62 62 LYS HA H 62 5.507 5.507 4.485 1.022 19538 10959 1 19 . 1 1 62 62 LYS CA C 62 54.843 54.843 57.068 -2.225 19538 10960 1 19 . 1 1 62 62 LYS CB C 62 35.211 35.211 32.305 2.906 19538 10961 1 19 . 1 1 62 62 LYS H H 62 8.687 8.687 8.112 0.575 19538 10962 1 19 . 1 1 63 63 LYS N N 63 121.218 121.218 124.269 -3.051 19538 10963 1 19 . 1 1 63 63 LYS HA H 63 4.595 4.595 4.584 0.011 19538 10964 1 19 . 1 1 63 63 LYS CA C 63 54.760 54.760 54.791 -0.031 19538 10965 1 19 . 1 1 63 63 LYS CB C 63 36.712 36.712 35.917 0.795 19538 10966 1 19 . 1 1 63 63 LYS H H 63 8.797 8.797 9.091 -0.293 19538 10967 1 19 . 1 1 64 64 LEU N N 64 124.605 124.605 125.490 -0.885 19538 10968 1 19 . 1 1 64 64 LEU HA H 64 4.920 4.920 4.476 0.444 19538 10969 1 19 . 1 1 64 64 LEU CA C 64 53.797 53.797 54.046 -0.249 19538 10970 1 19 . 1 1 64 64 LEU CB C 64 43.553 43.553 41.182 2.371 19538 10971 1 19 . 1 1 64 64 LEU H H 64 8.604 8.604 8.685 -0.081 19538 10972 1 19 . 1 1 65 65 ASP N N 65 122.577 122.577 126.402 -3.825 19538 10973 1 19 . 1 1 65 65 ASP HA H 65 4.664 4.664 4.859 -0.195 19538 10974 1 19 . 1 1 65 65 ASP CA C 65 51.824 51.824 54.378 -2.554 19538 10975 1 19 . 1 1 65 65 ASP CB C 65 41.277 41.277 43.138 -1.861 19538 10976 1 19 . 1 1 65 65 ASP H H 65 8.455 8.455 7.927 0.528 19538 10977 1 19 . 1 1 66 66 LYS N N 66 117.718 117.718 122.064 -4.346 19538 10978 1 19 . 1 1 66 66 LYS HA H 66 4.052 4.052 3.927 0.125 19538 10979 1 19 . 1 1 66 66 LYS CA C 66 58.116 58.116 59.175 -1.059 19538 10980 1 19 . 1 1 66 66 LYS CB C 66 31.677 31.677 31.563 0.114 19538 10981 1 19 . 1 1 66 66 LYS H H 66 8.339 8.339 8.748 -0.409 19538 10982 1 19 . 1 1 67 67 GLU N N 67 118.253 118.253 117.356 0.897 19538 10983 1 19 . 1 1 67 67 GLU HA H 67 4.323 4.323 4.187 0.136 19538 10984 1 19 . 1 1 67 67 GLU CA C 67 56.018 56.018 56.636 -0.618 19538 10985 1 19 . 1 1 67 67 GLU CB C 67 29.587 29.587 28.994 0.593 19538 10986 1 19 . 1 1 67 67 GLU H H 67 8.096 8.096 8.184 -0.088 19538 10987 1 19 . 1 1 68 68 GLY N N 68 107.960 107.960 107.246 0.714 19538 10988 1 19 . 1 1 68 68 GLY CA C 68 45.213 45.213 45.529 -0.316 19538 10989 1 19 . 1 1 68 68 GLY H H 68 8.168 8.168 8.818 -0.650 19538 10990 1 19 . 1 1 69 69 ARG N N 69 121.436 121.436 119.607 1.829 19538 10991 1 19 . 1 1 69 69 ARG HA H 69 4.482 4.482 4.836 -0.354 19538 10992 1 19 . 1 1 69 69 ARG CA C 69 54.229 54.229 53.349 0.880 19538 10993 1 19 . 1 1 69 69 ARG CB C 69 30.399 30.399 31.944 -1.545 19538 10994 1 19 . 1 1 69 69 ARG H H 69 8.590 8.590 7.487 1.103 19538 10995 1 19 . 1 1 70 70 THR N N 70 120.709 120.709 120.469 0.240 19538 10996 1 19 . 1 1 70 70 THR HA H 70 4.298 4.298 4.593 -0.295 19538 10997 1 19 . 1 1 70 70 THR CA C 70 64.365 64.365 63.832 0.533 19538 10998 1 19 . 1 1 70 70 THR CB C 70 68.832 68.832 69.176 -0.344 19538 10999 1 19 . 1 1 70 70 THR H H 70 8.822 8.822 8.580 0.242 19538 11000 1 19 . 1 1 71 71 HIS N N 71 127.496 127.496 127.307 0.189 19538 11001 1 19 . 1 1 71 71 HIS HA H 71 5.138 5.138 4.949 0.189 19538 11002 1 19 . 1 1 71 71 HIS CA C 71 53.948 53.948 55.208 -1.260 19538 11003 1 19 . 1 1 71 71 HIS CB C 71 31.791 31.791 31.763 0.028 19538 11004 1 19 . 1 1 71 71 HIS H H 71 9.384 9.384 9.759 -0.375 19538 11005 1 19 . 1 1 72 72 HIS N N 72 121.684 121.684 127.329 -5.645 19538 11006 1 19 . 1 1 72 72 HIS HA H 72 5.094 5.094 4.817 0.277 19538 11007 1 19 . 1 1 72 72 HIS CA C 72 54.390 54.390 54.870 -0.480 19538 11008 1 19 . 1 1 72 72 HIS CB C 72 33.961 33.961 30.500 3.461 19538 11009 1 19 . 1 1 72 72 HIS H H 72 9.076 9.076 9.527 -0.451 19538 11010 1 19 . 1 1 73 73 TYR N N 73 121.287 121.287 125.867 -4.580 19538 11011 1 19 . 1 1 73 73 TYR HA H 73 5.305 5.305 4.935 0.370 19538 11012 1 19 . 1 1 73 73 TYR CA C 73 56.017 56.017 58.071 -2.054 19538 11013 1 19 . 1 1 73 73 TYR CB C 73 39.479 39.479 39.780 -0.301 19538 11014 1 19 . 1 1 73 73 TYR H H 73 9.305 9.305 8.372 0.933 19538 11015 1 19 . 1 1 74 74 MET N N 74 124.078 124.078 123.986 0.092 19538 11016 1 19 . 1 1 74 74 MET HA H 74 4.867 4.867 5.300 -0.433 19538 11017 1 19 . 1 1 74 74 MET CA C 74 54.701 54.701 55.333 -0.632 19538 11018 1 19 . 1 1 74 74 MET CB C 74 38.007 38.007 36.988 1.019 19538 11019 1 19 . 1 1 74 74 MET H H 74 8.761 8.761 9.566 -0.805 19538 11020 1 19 . 1 1 75 75 ARG N N 75 123.962 123.962 123.827 0.135 19538 11021 1 19 . 1 1 75 75 ARG HA H 75 5.471 5.471 5.599 -0.128 19538 11022 1 19 . 1 1 75 75 ARG CA C 75 53.340 53.340 54.595 -1.255 19538 11023 1 19 . 1 1 75 75 ARG CB C 75 34.441 34.441 33.832 0.609 19538 11024 1 19 . 1 1 75 75 ARG H H 75 8.427 8.427 8.724 -0.297 19538 11025 1 19 . 1 1 76 76 PHE N N 76 114.935 114.935 116.187 -1.252 19538 11026 1 19 . 1 1 76 76 PHE HA H 76 4.621 4.621 5.088 -0.467 19538 11027 1 19 . 1 1 76 76 PHE CA C 76 55.856 55.856 56.459 -0.603 19538 11028 1 19 . 1 1 76 76 PHE CB C 76 39.167 39.167 41.362 -2.195 19538 11029 1 19 . 1 1 76 76 PHE H H 76 8.296 8.296 8.829 -0.533 19538 11030 1 19 . 1 1 77 77 HIS N N 77 117.830 117.830 118.959 -1.129 19538 11031 1 19 . 1 1 77 77 HIS HA H 77 5.451 5.451 5.502 -0.051 19538 11032 1 19 . 1 1 77 77 HIS CA C 77 54.767 54.767 55.675 -0.908 19538 11033 1 19 . 1 1 77 77 HIS CB C 77 31.102 31.102 32.285 -1.183 19538 11034 1 19 . 1 1 77 77 HIS H H 77 9.190 9.190 9.382 -0.192 19538 11035 1 19 . 1 1 78 78 VAL N N 78 114.372 114.372 118.400 -4.028 19538 11036 1 19 . 1 1 78 78 VAL HA H 78 5.110 5.110 5.014 0.096 19538 11037 1 19 . 1 1 78 78 VAL CA C 78 59.653 59.653 59.435 0.218 19538 11038 1 19 . 1 1 78 78 VAL CB C 78 35.073 35.073 35.937 -0.864 19538 11039 1 19 . 1 1 78 78 VAL H H 78 7.860 7.860 9.308 -1.448 19538 11040 1 19 . 1 1 79 79 GLU N N 79 126.076 126.076 124.491 1.585 19538 11041 1 19 . 1 1 79 79 GLU HA H 79 5.400 5.400 4.868 0.532 19538 11042 1 19 . 1 1 79 79 GLU CA C 79 54.316 54.316 55.116 -0.800 19538 11043 1 19 . 1 1 79 79 GLU CB C 79 34.060 34.060 31.748 2.312 19538 11044 1 19 . 1 1 79 79 GLU H H 79 9.213 9.213 9.434 -0.221 19538 11045 1 19 . 1 1 80 80 SER N N 80 124.627 124.627 122.559 2.068 19538 11046 1 19 . 1 1 80 80 SER HA H 80 4.892 4.892 4.867 0.025 19538 11047 1 19 . 1 1 80 80 SER CA C 80 54.930 54.930 57.757 -2.827 19538 11048 1 19 . 1 1 80 80 SER CB C 80 67.503 67.503 64.365 3.138 19538 11049 1 19 . 1 1 80 80 SER H H 80 9.464 9.464 9.187 0.277 19538 11050 1 19 . 1 1 81 81 LYS N N 81 119.240 119.240 118.543 0.697 19538 11051 1 19 . 1 1 81 81 LYS HA H 81 4.000 4.000 4.160 -0.160 19538 11052 1 19 . 1 1 81 81 LYS CA C 81 59.099 59.099 58.185 0.914 19538 11053 1 19 . 1 1 81 81 LYS CB C 81 31.721 31.721 32.545 -0.824 19538 11054 1 19 . 1 1 81 81 LYS H H 81 10.052 10.052 8.517 1.535 19538 11055 1 19 . 1 1 82 82 LYS N N 82 114.688 114.688 114.809 -0.121 19538 11056 1 19 . 1 1 82 82 LYS HA H 82 4.365 4.365 4.445 -0.080 19538 11057 1 19 . 1 1 82 82 LYS CA C 82 56.211 56.211 56.166 0.045 19538 11058 1 19 . 1 1 82 82 LYS CB C 82 36.484 36.484 35.044 1.440 19538 11059 1 19 . 1 1 82 82 LYS H H 82 7.782 7.782 7.779 0.003 19538 11060 1 19 . 1 1 83 83 LYS N N 83 118.992 118.992 119.858 -0.866 19538 11061 1 19 . 1 1 83 83 LYS HA H 83 4.749 4.749 4.742 0.007 19538 11062 1 19 . 1 1 83 83 LYS CA C 83 53.590 53.590 54.231 -0.641 19538 11063 1 19 . 1 1 83 83 LYS CB C 83 39.218 39.218 36.288 2.930 19538 11064 1 19 . 1 1 83 83 LYS H H 83 7.962 7.962 8.587 -0.625 19538 11065 1 19 . 1 1 84 84 ILE N N 84 118.513 118.513 120.824 -2.311 19538 11066 1 19 . 1 1 84 84 ILE HA H 84 4.556 4.556 4.745 -0.189 19538 11067 1 19 . 1 1 84 84 ILE CA C 84 60.643 60.643 60.750 -0.107 19538 11068 1 19 . 1 1 84 84 ILE CB C 84 39.946 39.946 38.950 0.995 19538 11069 1 19 . 1 1 84 84 ILE H H 84 7.927 7.927 8.548 -0.621 19538 11070 1 19 . 1 1 85 85 ALA N N 85 127.327 127.327 129.531 -2.204 19538 11071 1 19 . 1 1 85 85 ALA HA H 85 5.048 5.048 5.040 0.008 19538 11072 1 19 . 1 1 85 85 ALA CA C 85 49.316 49.316 49.604 -0.288 19538 11073 1 19 . 1 1 85 85 ALA CB C 85 24.205 24.205 23.104 1.101 19538 11074 1 19 . 1 1 85 85 ALA H H 85 9.211 9.211 9.173 0.038 19538 11075 1 19 . 1 1 86 86 LEU N N 86 122.978 122.978 122.741 0.237 19538 11076 1 19 . 1 1 86 86 LEU HA H 86 4.554 4.554 4.778 -0.224 19538 11077 1 19 . 1 1 86 86 LEU CA C 86 53.671 53.671 52.973 0.698 19538 11078 1 19 . 1 1 86 86 LEU CB C 86 44.396 44.396 45.021 -0.625 19538 11079 1 19 . 1 1 86 86 LEU H H 86 8.312 8.312 8.896 -0.584 19538 11080 1 19 . 1 1 87 87 VAL N N 87 127.511 127.511 126.407 1.104 19538 11081 1 19 . 1 1 87 87 VAL HA H 87 4.244 4.244 4.409 -0.165 19538 11082 1 19 . 1 1 87 87 VAL CA C 87 60.226 60.226 60.417 -0.191 19538 11083 1 19 . 1 1 87 87 VAL CB C 87 31.609 31.609 33.316 -1.707 19538 11084 1 19 . 1 1 87 87 VAL H H 87 9.017 9.017 8.967 0.050 19538 11085 1 19 . 1 1 88 88 HIS N N 88 124.227 124.227 127.084 -2.857 19538 11086 1 19 . 1 1 88 88 HIS HA H 88 4.687 4.687 4.960 -0.273 19538 11087 1 19 . 1 1 88 88 HIS CA C 88 54.314 54.314 52.882 1.432 19538 11088 1 19 . 1 1 88 88 HIS CB C 88 33.245 33.245 32.191 1.054 19538 11089 1 19 . 1 1 88 88 HIS H H 88 8.104 8.104 8.719 -0.615 19538 11090 1 19 . 1 1 89 89 LEU N N 89 121.992 121.992 128.995 -7.003 19538 11091 1 19 . 1 1 89 89 LEU HA H 89 5.050 5.050 5.225 -0.175 19538 11092 1 19 . 1 1 89 89 LEU CA C 89 52.983 52.983 53.510 -0.527 19538 11093 1 19 . 1 1 89 89 LEU CB C 89 46.355 46.355 46.550 -0.195 19538 11094 1 19 . 1 1 89 89 LEU H H 89 8.600 8.600 9.664 -1.064 19538 11095 1 19 . 1 1 90 90 GLU N N 90 121.551 121.551 124.956 -3.405 19538 11096 1 19 . 1 1 90 90 GLU HA H 90 5.253 5.253 5.754 -0.501 19538 11097 1 19 . 1 1 90 90 GLU CA C 90 53.422 53.422 54.437 -1.015 19538 11098 1 19 . 1 1 90 90 GLU CB C 90 33.238 33.238 33.627 -0.389 19538 11099 1 19 . 1 1 90 90 GLU H H 90 8.816 8.816 9.516 -0.700 19538 11100 1 19 . 1 1 91 91 ALA N N 91 128.266 128.266 127.261 1.005 19538 11101 1 19 . 1 1 91 91 ALA HA H 91 5.385 5.385 5.533 -0.148 19538 11102 1 19 . 1 1 91 91 ALA CA C 91 49.164 49.164 49.817 -0.653 19538 11103 1 19 . 1 1 91 91 ALA CB C 91 23.227 23.227 23.147 0.080 19538 11104 1 19 . 1 1 91 91 ALA H H 91 9.287 9.287 9.147 0.140 19538 11105 1 19 . 1 1 92 92 LYS N N 92 121.573 121.573 119.777 1.796 19538 11106 1 19 . 1 1 92 92 LYS HA H 92 4.884 4.884 5.436 -0.552 19538 11107 1 19 . 1 1 92 92 LYS CA C 92 54.365 54.365 53.772 0.593 19538 11108 1 19 . 1 1 92 92 LYS CB C 92 36.427 36.427 36.023 0.404 19538 11109 1 19 . 1 1 92 92 LYS H H 92 9.160 9.160 9.038 0.122 19538 11110 1 19 . 1 1 93 93 GLU N N 93 127.022 127.022 124.594 2.428 19538 11111 1 19 . 1 1 93 93 GLU HA H 93 4.145 4.145 4.244 -0.099 19538 11112 1 19 . 1 1 93 93 GLU CA C 93 56.227 56.227 56.729 -0.502 19538 11113 1 19 . 1 1 93 93 GLU CB C 93 30.986 30.986 30.910 0.076 19538 11114 1 19 . 1 1 93 93 GLU H H 93 8.525 8.525 8.983 -0.458 19538 11115 1 19 . 1 1 94 94 SER N N 94 120.676 120.676 119.993 0.683 19538 11116 1 19 . 1 1 94 94 SER HA H 94 4.416 4.416 4.245 0.171 19538 11117 1 19 . 1 1 94 94 SER CA C 94 57.241 57.241 61.624 -4.383 19538 11118 1 19 . 1 1 94 94 SER CB C 94 63.634 63.634 63.685 -0.051 19538 11119 1 19 . 1 1 94 94 SER H H 94 8.877 8.877 8.757 0.120 19538 11120 1 19 . 1 1 95 95 LYS HA H 95 4.212 4.212 4.499 -0.287 19538 11121 1 19 . 1 1 95 95 LYS CA C 95 56.036 56.036 58.036 -2.000 19538 11122 1 19 . 1 1 95 95 LYS CB C 95 33.113 33.113 33.892 -0.779 19538 11123 1 19 . 1 1 96 96 GLN N N 96 118.641 118.641 114.921 3.720 19538 11124 1 19 . 1 1 96 96 GLN HA H 96 4.140 4.140 4.627 -0.487 19538 11125 1 19 . 1 1 96 96 GLN CA C 96 56.338 56.338 54.384 1.954 19538 11126 1 19 . 1 1 96 96 GLN CB C 96 28.958 28.958 27.941 1.017 19538 11127 1 19 . 1 1 96 96 GLN H H 96 8.335 8.335 8.029 0.306 19538 11128 1 19 . 1 1 97 97 ASN N N 97 116.545 116.545 119.315 -2.770 19538 11129 1 19 . 1 1 97 97 ASN HA H 97 4.511 4.511 4.450 0.061 19538 11130 1 19 . 1 1 97 97 ASN CA C 97 53.163 53.163 52.675 0.488 19538 11131 1 19 . 1 1 97 97 ASN CB C 97 38.370 38.370 39.516 -1.146 19538 11132 1 19 . 1 1 97 97 ASN H H 97 8.199 8.199 8.276 -0.077 19538 11133 1 19 . 1 1 98 98 TYR N N 98 119.134 119.134 120.355 -1.221 19538 11134 1 19 . 1 1 98 98 TYR HA H 98 4.482 4.482 4.223 0.259 19538 11135 1 19 . 1 1 98 98 TYR CA C 98 57.458 57.458 61.035 -3.577 19538 11136 1 19 . 1 1 98 98 TYR CB C 98 38.539 38.539 38.751 -0.212 19538 11137 1 19 . 1 1 98 98 TYR H H 98 7.918 7.918 8.599 -0.681 19538 11138 1 19 . 1 1 99 99 GLN N N 99 119.975 119.975 116.070 3.905 19538 11139 1 19 . 1 1 99 99 GLN HA H 99 4.440 4.440 4.580 -0.140 19538 11140 1 19 . 1 1 99 99 GLN CA C 99 53.092 53.092 52.305 0.787 19538 11141 1 19 . 1 1 99 99 GLN CB C 99 27.891 27.891 30.499 -2.608 19538 11142 1 19 . 1 1 99 99 GLN H H 99 7.992 7.992 8.130 -0.138 19538 11143 1 19 . 1 1 100 100 PRO HA H 100 4.294 4.294 4.239 0.055 19538 11144 1 19 . 1 1 100 100 PRO CA C 100 62.415 62.415 62.127 0.288 19538 11145 1 19 . 1 1 100 100 PRO CB C 100 32.538 32.538 32.275 0.263 19538 11146 1 19 . 1 1 101 101 ASP N N 101 120.964 120.964 120.861 0.103 19538 11147 1 19 . 1 1 101 101 ASP HA H 101 4.654 4.654 4.343 0.310 19538 11148 1 19 . 1 1 101 101 ASP CA C 101 52.845 52.845 54.066 -1.221 19538 11149 1 19 . 1 1 101 101 ASP CB C 101 42.316 42.316 41.630 0.686 19538 11150 1 19 . 1 1 101 101 ASP H H 101 8.225 8.225 8.791 -0.566 19538 11151 1 19 . 1 1 102 102 PHE N N 102 122.913 122.913 124.801 -1.888 19538 11152 1 19 . 1 1 102 102 PHE HA H 102 4.642 4.642 4.605 0.037 19538 11153 1 19 . 1 1 102 102 PHE CA C 102 57.341 57.341 58.066 -0.725 19538 11154 1 19 . 1 1 102 102 PHE CB C 102 38.576 38.576 37.852 0.724 19538 11155 1 19 . 1 1 102 102 PHE H H 102 9.014 9.014 8.382 0.632 19538 11156 1 19 . 1 1 103 103 ILE N N 103 117.131 117.131 123.345 -6.214 19538 11157 1 19 . 1 1 103 103 ILE HA H 103 4.464 4.464 3.830 0.634 19538 11158 1 19 . 1 1 103 103 ILE CA C 103 60.346 60.346 63.779 -3.433 19538 11159 1 19 . 1 1 103 103 ILE CB C 103 39.243 39.243 38.714 0.529 19538 11160 1 19 . 1 1 103 103 ILE H H 103 8.765 8.765 7.757 1.008 19538 11161 1 19 . 1 1 104 104 ASN N N 104 117.264 117.264 115.386 1.878 19538 11162 1 19 . 1 1 104 104 ASN HA H 104 4.913 4.913 4.960 -0.047 19538 11163 1 19 . 1 1 104 104 ASN CA C 104 52.710 52.710 52.627 0.083 19538 11164 1 19 . 1 1 104 104 ASN CB C 104 41.361 41.361 41.958 -0.597 19538 11165 1 19 . 1 1 104 104 ASN H H 104 7.441 7.441 8.130 -0.689 19538 11166 1 19 . 1 1 105 105 MET N N 105 125.685 125.685 124.394 1.291 19538 11167 1 19 . 1 1 105 105 MET HA H 105 5.484 5.484 5.517 -0.033 19538 11168 1 19 . 1 1 105 105 MET CA C 105 56.071 56.071 54.620 1.451 19538 11169 1 19 . 1 1 105 105 MET CB C 105 34.514 34.514 35.310 -0.796 19538 11170 1 19 . 1 1 105 105 MET H H 105 9.244 9.244 8.186 1.058 19538 11171 1 19 . 1 1 106 106 TYR N N 106 125.856 125.856 120.597 5.259 19538 11172 1 19 . 1 1 106 106 TYR HA H 106 5.438 5.438 5.272 0.166 19538 11173 1 19 . 1 1 106 106 TYR CA C 106 54.552 54.552 55.340 -0.788 19538 11174 1 19 . 1 1 106 106 TYR CB C 106 40.104 40.104 40.938 -0.834 19538 11175 1 19 . 1 1 106 106 TYR H H 106 8.893 8.893 8.901 -0.008 19538 11176 1 19 . 1 1 107 107 VAL N N 107 117.033 117.033 119.607 -2.574 19538 11177 1 19 . 1 1 107 107 VAL HA H 107 4.957 4.957 4.632 0.325 19538 11178 1 19 . 1 1 107 107 VAL CA C 107 60.008 60.008 60.875 -0.867 19538 11179 1 19 . 1 1 107 107 VAL CB C 107 35.319 35.319 34.723 0.596 19538 11180 1 19 . 1 1 107 107 VAL H H 107 9.041 9.041 9.342 -0.301 19538 11181 1 19 . 1 1 108 108 ASP N N 108 129.995 129.995 128.249 1.746 19538 11182 1 19 . 1 1 108 108 ASP HA H 108 5.240 5.240 4.986 0.254 19538 11183 1 19 . 1 1 108 108 ASP CA C 108 52.975 52.975 52.068 0.907 19538 11184 1 19 . 1 1 108 108 ASP CB C 108 42.245 42.245 42.213 0.032 19538 11185 1 19 . 1 1 108 108 ASP H H 108 9.382 9.382 9.332 0.050 19538 11186 1 19 . 1 1 109 109 VAL N N 109 129.641 129.641 126.960 2.681 19538 11187 1 19 . 1 1 109 109 VAL HA H 109 4.464 4.464 4.403 0.061 19538 11188 1 19 . 1 1 109 109 VAL CA C 109 58.694 58.694 59.094 -0.400 19538 11189 1 19 . 1 1 109 109 VAL CB C 109 33.061 33.061 33.806 -0.745 19538 11190 1 19 . 1 1 109 109 VAL H H 109 9.181 9.181 8.207 0.974 19538 11191 1 19 . 1 1 110 110 PRO HA H 110 4.288 4.288 4.267 0.021 19538 11192 1 19 . 1 1 110 110 PRO CA C 110 64.107 64.107 64.667 -0.560 19538 11193 1 19 . 1 1 110 110 PRO CB C 110 31.557 31.557 31.870 -0.313 19538 11194 1 19 . 1 1 111 111 GLY N N 111 112.873 112.873 111.922 0.951 19538 11195 1 19 . 1 1 111 111 GLY CA C 111 44.872 44.872 45.238 -0.366 19538 11196 1 19 . 1 1 111 111 GLY H H 111 8.839 8.839 8.637 0.202 19538 11197 1 19 . 1 1 112 112 GLU N N 112 118.157 118.157 119.985 -1.828 19538 11198 1 19 . 1 1 112 112 GLU HA H 112 4.858 4.858 4.642 0.216 19538 11199 1 19 . 1 1 112 112 GLU CA C 112 52.732 52.732 54.712 -1.980 19538 11200 1 19 . 1 1 112 112 GLU CB C 112 31.513 31.513 31.506 0.007 19538 11201 1 19 . 1 1 112 112 GLU H H 112 8.136 8.136 8.011 0.125 19538 11202 1 19 . 1 1 113 113 LYS N N 113 121.944 121.944 121.498 0.446 19538 11203 1 19 . 1 1 113 113 LYS HA H 113 4.208 4.208 4.313 -0.105 19538 11204 1 19 . 1 1 113 113 LYS CA C 113 55.810 55.810 55.978 -0.168 19538 11205 1 19 . 1 1 113 113 LYS CB C 113 32.157 32.157 32.660 -0.503 19538 11206 1 19 . 1 1 113 113 LYS H H 113 8.847 8.847 8.462 0.385 19538 11207 1 19 . 1 1 114 114 ARG N N 114 126.520 126.520 121.783 4.737 19538 11208 1 19 . 1 1 114 114 ARG HA H 114 4.064 4.064 4.347 -0.283 19538 11209 1 19 . 1 1 114 114 ARG CA C 114 57.914 57.914 56.508 1.406 19538 11210 1 19 . 1 1 114 114 ARG CB C 114 30.627 30.627 30.033 0.594 19538 11211 1 19 . 1 1 114 114 ARG H H 114 8.539 8.539 8.374 0.165 19538 11212 1 19 . 1 1 115 115 TYR N N 115 128.478 128.478 127.820 0.658 19538 11213 1 19 . 1 1 115 115 TYR HA H 115 4.671 4.671 4.799 -0.128 19538 11214 1 19 . 1 1 115 115 TYR CA C 115 56.519 56.519 57.059 -0.541 19538 11215 1 19 . 1 1 115 115 TYR CB C 115 40.193 40.193 41.121 -0.928 19538 11216 1 19 . 1 1 115 115 TYR H H 115 8.333 8.333 9.233 -0.900 19538 11217 1 19 . 1 1 116 116 TYR N N 116 127.101 127.101 128.070 -0.969 19538 11218 1 19 . 1 1 116 116 TYR HA H 116 4.553 4.553 4.572 -0.019 19538 11219 1 19 . 1 1 116 116 TYR CA C 116 58.502 58.502 57.694 0.808 19538 11220 1 19 . 1 1 116 116 TYR CB C 116 38.842 38.842 37.501 1.341 19538 11221 1 19 . 1 1 116 116 TYR H H 116 8.740 8.740 8.638 0.102 19538 11222 1 19 . 1 1 117 117 LEU N N 117 125.574 125.574 124.695 0.879 19538 11223 1 19 . 1 1 117 117 LEU HA H 117 4.394 4.394 4.276 0.118 19538 11224 1 19 . 1 1 117 117 LEU CA C 117 57.384 57.384 56.624 0.760 19538 11225 1 19 . 1 1 117 117 LEU CB C 117 43.272 43.272 42.975 0.297 19538 11226 1 19 . 1 1 117 117 LEU H H 117 8.427 8.427 8.281 0.146 19538 11227 1 19 . 1 1 118 118 ILE N N 118 118.478 118.478 119.040 -0.562 19538 11228 1 19 . 1 1 118 118 ILE HA H 118 4.199 4.199 4.244 -0.045 19538 11229 1 19 . 1 1 118 118 ILE CA C 118 60.074 60.074 60.298 -0.224 19538 11230 1 19 . 1 1 118 118 ILE CB C 118 40.895 40.895 39.770 1.125 19538 11231 1 19 . 1 1 118 118 ILE H H 118 7.983 7.983 8.146 -0.163 19538 11232 1 19 . 1 1 119 119 LYS N N 119 127.589 127.589 128.890 -1.301 19538 11233 1 19 . 1 1 119 119 LYS HA H 119 4.778 4.778 4.594 0.184 19538 11234 1 19 . 1 1 119 119 LYS CA C 119 53.232 53.232 52.816 0.416 19538 11235 1 19 . 1 1 119 119 LYS CB C 119 32.581 32.581 31.054 1.527 19538 11236 1 19 . 1 1 119 119 LYS H H 119 8.550 8.550 8.605 -0.055 19538 11237 1 19 . 1 1 120 120 PRO HA H 120 4.534 4.534 4.679 -0.145 19538 11238 1 19 . 1 1 120 120 PRO CA C 120 62.395 62.395 62.115 0.280 19538 11239 1 19 . 1 1 120 120 PRO CB C 120 32.059 32.059 32.514 -0.455 19538 11240 1 19 . 1 1 121 121 LYS N N 121 122.191 122.191 121.195 0.996 19538 11241 1 19 . 1 1 121 121 LYS HA H 121 4.136 4.136 4.155 -0.019 19538 11242 1 19 . 1 1 121 121 LYS CA C 121 55.840 55.840 56.472 -0.632 19538 11243 1 19 . 1 1 121 121 LYS CB C 121 33.162 33.162 29.489 3.673 19538 11244 1 19 . 1 1 121 121 LYS H H 121 8.406 8.406 8.620 -0.214 19538 11245 1 19 . 1 1 122 122 LEU N N 122 122.972 122.972 120.080 2.892 19538 11246 1 19 . 1 1 122 122 LEU HA H 122 4.219 4.219 4.108 0.111 19538 11247 1 19 . 1 1 122 122 LEU CA C 122 54.494 54.494 56.779 -2.285 19538 11248 1 19 . 1 1 122 122 LEU CB C 122 41.990 41.990 42.167 -0.177 19538 11249 1 19 . 1 1 122 122 LEU H H 122 8.158 8.158 8.885 -0.727 19538 11250 1 19 . 1 1 123 123 HIS N N 123 121.608 121.608 114.772 6.836 19538 11251 1 19 . 1 1 123 123 HIS HA H 123 4.776 4.776 4.891 -0.115 19538 11252 1 19 . 1 1 123 123 HIS CA C 123 53.651 53.651 53.379 0.272 19538 11253 1 19 . 1 1 123 123 HIS CB C 123 30.145 30.145 30.811 -0.666 19538 11254 1 19 . 1 1 123 123 HIS H H 123 8.172 8.172 8.030 0.142 19538 11255 1 19 . 1 1 124 124 PRO HA H 124 4.085 4.085 4.541 -0.456 19538 11256 1 19 . 1 1 124 124 PRO CA C 124 62.119 62.119 62.490 -0.371 19538 11257 1 19 . 1 1 124 124 PRO CB C 124 33.900 33.900 32.729 1.171 19538 11258 1 19 . 1 1 125 125 VAL N N 125 120.758 120.758 117.831 2.927 19538 11259 1 19 . 1 1 125 125 VAL HA H 125 4.085 4.085 3.810 0.275 19538 11260 1 19 . 1 1 125 125 VAL CA C 125 61.791 61.791 64.315 -2.524 19538 11261 1 19 . 1 1 125 125 VAL CB C 125 32.635 32.635 31.770 0.865 19538 11262 1 19 . 1 1 125 125 VAL H H 125 8.361 8.361 8.322 0.039 19538 11263 1 19 . 1 1 126 126 SER N N 126 119.450 119.450 115.280 4.170 19538 11264 1 19 . 1 1 126 126 SER HA H 126 4.417 4.417 4.632 -0.215 19538 11265 1 19 . 1 1 126 126 SER CA C 126 57.522 57.522 58.224 -0.702 19538 11266 1 19 . 1 1 126 126 SER CB C 126 63.634 63.634 64.196 -0.562 19538 11267 1 19 . 1 1 126 126 SER H H 126 8.323 8.323 7.826 0.497 19538 11268 1 20 . 1 1 2 2 ALA N N 2 122.815 122.815 129.977 -7.162 19538 11269 1 20 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.484 -0.191 19538 11270 1 20 . 1 1 2 2 ALA CA C 2 52.085 52.085 52.111 -0.026 19538 11271 1 20 . 1 1 2 2 ALA CB C 2 19.067 19.067 18.147 0.920 19538 11272 1 20 . 1 1 2 2 ALA H H 2 8.102 8.102 8.907 -0.805 19538 11273 1 20 . 1 1 3 3 MET N N 3 119.897 119.897 121.429 -1.532 19538 11274 1 20 . 1 1 3 3 MET HA H 3 4.401 4.401 4.276 0.125 19538 11275 1 20 . 1 1 3 3 MET CA C 3 55.339 55.339 55.987 -0.648 19538 11276 1 20 . 1 1 3 3 MET CB C 3 32.938 32.938 30.586 2.352 19538 11277 1 20 . 1 1 3 3 MET H H 3 8.501 8.501 8.783 -0.282 19538 11278 1 20 . 1 1 4 4 GLY N N 4 110.174 110.174 109.487 0.687 19538 11279 1 20 . 1 1 4 4 GLY CA C 4 44.706 44.706 45.539 -0.834 19538 11280 1 20 . 1 1 4 4 GLY H H 4 8.498 8.498 8.135 0.363 19538 11281 1 20 . 1 1 5 5 SER HA H 5 4.368 4.368 4.074 0.294 19538 11282 1 20 . 1 1 5 5 SER CA C 5 58.467 58.467 59.287 -0.820 19538 11283 1 20 . 1 1 5 5 SER CB C 5 63.530 63.530 60.672 2.858 19538 11284 1 20 . 1 1 6 6 GLY CA C 6 45.983 45.983 47.346 -1.363 19538 11285 1 20 . 1 1 7 7 ASP N N 7 122.649 122.649 119.923 2.726 19538 11286 1 20 . 1 1 7 7 ASP HA H 7 4.375 4.375 4.483 -0.108 19538 11287 1 20 . 1 1 7 7 ASP CA C 7 56.523 56.523 57.129 -0.606 19538 11288 1 20 . 1 1 7 7 ASP CB C 7 40.235 40.235 39.257 0.978 19538 11289 1 20 . 1 1 7 7 ASP H H 7 8.457 8.457 8.445 0.012 19538 11290 1 20 . 1 1 8 8 THR N N 8 116.751 116.751 117.538 -0.787 19538 11291 1 20 . 1 1 8 8 THR HA H 8 3.853 3.853 4.038 -0.185 19538 11292 1 20 . 1 1 8 8 THR CA C 8 66.104 66.104 66.882 -0.778 19538 11293 1 20 . 1 1 8 8 THR CB C 8 68.047 68.047 68.181 -0.134 19538 11294 1 20 . 1 1 8 8 THR H H 8 8.128 8.128 8.013 0.115 19538 11295 1 20 . 1 1 9 9 GLN N N 9 120.186 120.186 121.506 -1.320 19538 11296 1 20 . 1 1 9 9 GLN HA H 9 4.038 4.038 4.357 -0.319 19538 11297 1 20 . 1 1 9 9 GLN CA C 9 58.699 58.699 59.528 -0.829 19538 11298 1 20 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.699 -0.599 19538 11299 1 20 . 1 1 9 9 GLN H H 9 7.831 7.831 8.784 -0.953 19538 11300 1 20 . 1 1 10 10 LEU N N 10 120.735 120.735 120.723 0.012 19538 11301 1 20 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.188 -0.271 19538 11302 1 20 . 1 1 10 10 LEU CA C 10 58.126 58.126 58.324 -0.198 19538 11303 1 20 . 1 1 10 10 LEU CB C 10 41.935 41.935 41.744 0.191 19538 11304 1 20 . 1 1 10 10 LEU H H 10 7.670 7.670 9.152 -1.482 19538 11305 1 20 . 1 1 11 11 PHE N N 11 117.802 117.802 121.522 -3.720 19538 11306 1 20 . 1 1 11 11 PHE HA H 11 3.821 3.821 4.088 -0.267 19538 11307 1 20 . 1 1 11 11 PHE CA C 11 60.224 60.224 61.793 -1.569 19538 11308 1 20 . 1 1 11 11 PHE CB C 11 38.798 38.798 39.059 -0.261 19538 11309 1 20 . 1 1 11 11 PHE H H 11 7.939 7.939 9.285 -1.346 19538 11310 1 20 . 1 1 12 12 ASN N N 12 117.152 117.152 118.383 -1.231 19538 11311 1 20 . 1 1 12 12 ASN HA H 12 3.868 3.868 4.059 -0.191 19538 11312 1 20 . 1 1 12 12 ASN CA C 12 55.410 55.410 56.199 -0.789 19538 11313 1 20 . 1 1 12 12 ASN CB C 12 37.188 37.188 37.530 -0.342 19538 11314 1 20 . 1 1 12 12 ASN H H 12 8.562 8.562 9.006 -0.444 19538 11315 1 20 . 1 1 13 13 ARG N N 13 119.825 119.825 121.169 -1.344 19538 11316 1 20 . 1 1 13 13 ARG HA H 13 3.914 3.914 3.976 -0.062 19538 11317 1 20 . 1 1 13 13 ARG CA C 13 58.623 58.623 59.643 -1.020 19538 11318 1 20 . 1 1 13 13 ARG CB C 13 31.719 31.719 30.187 1.532 19538 11319 1 20 . 1 1 13 13 ARG H H 13 8.006 8.006 8.841 -0.835 19538 11320 1 20 . 1 1 14 14 ALA N N 14 122.749 122.749 122.417 0.332 19538 11321 1 20 . 1 1 14 14 ALA HA H 14 3.938 3.938 3.931 0.007 19538 11322 1 20 . 1 1 14 14 ALA CA C 14 54.976 54.976 54.928 0.048 19538 11323 1 20 . 1 1 14 14 ALA CB C 14 19.446 19.446 18.666 0.780 19538 11324 1 20 . 1 1 14 14 ALA H H 14 8.163 8.163 8.582 -0.419 19538 11325 1 20 . 1 1 15 15 VAL N N 15 118.460 118.460 118.540 -0.080 19538 11326 1 20 . 1 1 15 15 VAL HA H 15 3.219 3.219 3.499 -0.280 19538 11327 1 20 . 1 1 15 15 VAL CA C 15 66.611 66.611 66.294 0.316 19538 11328 1 20 . 1 1 15 15 VAL CB C 15 30.889 30.889 31.361 -0.472 19538 11329 1 20 . 1 1 15 15 VAL H H 15 8.718 8.718 8.680 0.038 19538 11330 1 20 . 1 1 16 16 SER N N 16 113.102 113.102 115.438 -2.336 19538 11331 1 20 . 1 1 16 16 SER HA H 16 4.144 4.144 4.076 0.068 19538 11332 1 20 . 1 1 16 16 SER CA C 16 60.888 60.888 62.208 -1.320 19538 11333 1 20 . 1 1 16 16 SER CB C 16 62.503 62.503 62.897 -0.394 19538 11334 1 20 . 1 1 16 16 SER H H 16 7.243 7.243 8.026 -0.783 19538 11335 1 20 . 1 1 17 17 MET N N 17 117.447 117.447 119.773 -2.326 19538 11336 1 20 . 1 1 17 17 MET HA H 17 3.875 3.875 4.057 -0.182 19538 11337 1 20 . 1 1 17 17 MET CA C 17 58.575 58.575 59.077 -0.502 19538 11338 1 20 . 1 1 17 17 MET CB C 17 33.489 33.489 32.716 0.773 19538 11339 1 20 . 1 1 17 17 MET H H 17 7.232 7.232 7.484 -0.252 19538 11340 1 20 . 1 1 18 18 VAL N N 18 117.842 117.842 113.693 4.149 19538 11341 1 20 . 1 1 18 18 VAL HA H 18 3.357 3.357 3.774 -0.417 19538 11342 1 20 . 1 1 18 18 VAL CA C 18 66.065 66.065 65.160 0.905 19538 11343 1 20 . 1 1 18 18 VAL CB C 18 31.686 31.686 31.656 0.030 19538 11344 1 20 . 1 1 18 18 VAL H H 18 7.678 7.678 7.815 -0.137 19538 11345 1 20 . 1 1 19 19 GLU N N 19 113.150 113.150 120.245 -7.095 19538 11346 1 20 . 1 1 19 19 GLU HA H 19 3.618 3.618 3.958 -0.340 19538 11347 1 20 . 1 1 19 19 GLU CA C 19 58.198 58.198 59.672 -1.474 19538 11348 1 20 . 1 1 19 19 GLU CB C 19 29.786 29.786 29.729 0.057 19538 11349 1 20 . 1 1 19 19 GLU H H 19 8.378 8.378 8.645 -0.267 19538 11350 1 20 . 1 1 20 20 LYS N N 20 114.076 114.076 113.701 0.375 19538 11351 1 20 . 1 1 20 20 LYS HA H 20 4.243 4.243 4.375 -0.132 19538 11352 1 20 . 1 1 20 20 LYS CA C 20 55.725 55.725 54.280 1.445 19538 11353 1 20 . 1 1 20 20 LYS CB C 20 33.032 33.032 32.046 0.986 19538 11354 1 20 . 1 1 20 20 LYS H H 20 7.072 7.072 7.887 -0.815 19538 11355 1 20 . 1 1 21 21 ASN N N 21 121.025 121.025 121.204 -0.179 19538 11356 1 20 . 1 1 21 21 ASN HA H 21 4.555 4.555 4.515 0.040 19538 11357 1 20 . 1 1 21 21 ASN CA C 21 53.766 53.766 52.884 0.882 19538 11358 1 20 . 1 1 21 21 ASN CB C 21 39.835 39.835 38.877 0.958 19538 11359 1 20 . 1 1 21 21 ASN H H 21 7.230 7.230 7.415 -0.185 19538 11360 1 20 . 1 1 22 22 LYS N N 22 128.112 128.112 127.715 0.397 19538 11361 1 20 . 1 1 22 22 LYS HA H 22 3.698 3.698 3.862 -0.164 19538 11362 1 20 . 1 1 22 22 LYS CA C 22 59.519 59.519 59.938 -0.419 19538 11363 1 20 . 1 1 22 22 LYS CB C 22 32.140 32.140 31.238 0.901 19538 11364 1 20 . 1 1 22 22 LYS H H 22 8.846 8.846 8.567 0.279 19538 11365 1 20 . 1 1 23 23 ASP N N 23 120.250 120.250 120.329 -0.079 19538 11366 1 20 . 1 1 23 23 ASP HA H 23 4.297 4.297 4.411 -0.114 19538 11367 1 20 . 1 1 23 23 ASP CA C 23 56.787 56.787 57.222 -0.435 19538 11368 1 20 . 1 1 23 23 ASP CB C 23 39.444 39.444 40.568 -1.124 19538 11369 1 20 . 1 1 23 23 ASP H H 23 7.731 7.731 8.108 -0.377 19538 11370 1 20 . 1 1 24 24 ILE N N 24 121.988 121.988 120.765 1.223 19538 11371 1 20 . 1 1 24 24 ILE HA H 24 3.219 3.219 3.340 -0.121 19538 11372 1 20 . 1 1 24 24 ILE CA C 24 63.375 63.375 65.463 -2.088 19538 11373 1 20 . 1 1 24 24 ILE CB C 24 35.424 35.424 37.640 -2.216 19538 11374 1 20 . 1 1 24 24 ILE H H 24 8.431 8.431 8.217 0.214 19538 11375 1 20 . 1 1 25 25 ARG N N 25 118.181 118.181 120.333 -2.152 19538 11376 1 20 . 1 1 25 25 ARG HA H 25 3.810 3.810 3.854 -0.044 19538 11377 1 20 . 1 1 25 25 ARG CA C 25 60.546 60.546 60.485 0.061 19538 11378 1 20 . 1 1 25 25 ARG CB C 25 30.205 30.205 29.953 0.252 19538 11379 1 20 . 1 1 25 25 ARG H H 25 8.206 8.206 8.883 -0.677 19538 11380 1 20 . 1 1 26 26 SER N N 26 112.549 112.549 115.383 -2.834 19538 11381 1 20 . 1 1 26 26 SER HA H 26 4.373 4.373 4.165 0.208 19538 11382 1 20 . 1 1 26 26 SER CA C 26 61.040 61.040 62.225 -1.185 19538 11383 1 20 . 1 1 26 26 SER CB C 26 62.096 62.096 62.888 -0.792 19538 11384 1 20 . 1 1 26 26 SER H H 26 7.518 7.518 8.100 -0.582 19538 11385 1 20 . 1 1 27 27 LEU N N 27 125.275 125.275 121.731 3.544 19538 11386 1 20 . 1 1 27 27 LEU HA H 27 4.013 4.013 4.040 -0.027 19538 11387 1 20 . 1 1 27 27 LEU CA C 27 57.652 57.652 57.408 0.244 19538 11388 1 20 . 1 1 27 27 LEU CB C 27 42.548 42.548 41.983 0.565 19538 11389 1 20 . 1 1 27 27 LEU H H 27 8.050 8.050 7.681 0.369 19538 11390 1 20 . 1 1 28 28 LEU N N 28 114.725 114.725 113.947 0.778 19538 11391 1 20 . 1 1 28 28 LEU HA H 28 3.863 3.863 4.181 -0.318 19538 11392 1 20 . 1 1 28 28 LEU CA C 28 54.299 54.299 55.660 -1.361 19538 11393 1 20 . 1 1 28 28 LEU CB C 28 42.874 42.874 42.157 0.717 19538 11394 1 20 . 1 1 28 28 LEU H H 28 8.010 8.010 8.429 -0.419 19538 11395 1 20 . 1 1 29 29 GLN N N 29 116.444 116.444 113.292 3.152 19538 11396 1 20 . 1 1 29 29 GLN HA H 29 3.854 3.854 3.901 -0.047 19538 11397 1 20 . 1 1 29 29 GLN CA C 29 55.652 55.652 56.554 -0.902 19538 11398 1 20 . 1 1 29 29 GLN CB C 29 25.300 25.300 25.231 0.069 19538 11399 1 20 . 1 1 29 29 GLN H H 29 7.972 7.972 8.233 -0.261 19538 11400 1 20 . 1 1 30 30 CYS N N 30 116.363 116.363 121.211 -4.848 19538 11401 1 20 . 1 1 30 30 CYS HA H 30 4.133 4.133 4.141 -0.008 19538 11402 1 20 . 1 1 30 30 CYS CA C 30 61.559 61.559 60.090 1.469 19538 11403 1 20 . 1 1 30 30 CYS CB C 30 27.701 27.701 25.692 2.009 19538 11404 1 20 . 1 1 30 30 CYS H H 30 7.847 7.847 8.846 -0.999 19538 11405 1 20 . 1 1 31 31 ASP N N 31 125.091 125.091 123.762 1.329 19538 11406 1 20 . 1 1 31 31 ASP HA H 31 4.598 4.598 4.781 -0.183 19538 11407 1 20 . 1 1 31 31 ASP CA C 31 52.428 52.428 53.650 -1.222 19538 11408 1 20 . 1 1 31 31 ASP CB C 31 39.156 39.156 43.457 -4.301 19538 11409 1 20 . 1 1 31 31 ASP H H 31 9.918 9.918 8.624 1.294 19538 11410 1 20 . 1 1 32 32 ASP N N 32 124.593 124.593 125.936 -1.343 19538 11411 1 20 . 1 1 32 32 ASP HA H 32 5.131 5.131 4.725 0.406 19538 11412 1 20 . 1 1 32 32 ASP CA C 32 52.190 52.190 54.124 -1.934 19538 11413 1 20 . 1 1 32 32 ASP CB C 32 41.542 41.542 40.822 0.720 19538 11414 1 20 . 1 1 32 32 ASP H H 32 7.532 7.532 8.598 -1.066 19538 11415 1 20 . 1 1 33 33 GLY N N 33 109.888 109.888 113.154 -3.266 19538 11416 1 20 . 1 1 33 33 GLY CA C 33 44.840 44.840 44.944 -0.104 19538 11417 1 20 . 1 1 33 33 GLY H H 33 7.912 7.912 9.097 -1.185 19538 11418 1 20 . 1 1 34 34 ILE HA H 34 3.978 3.978 3.975 0.003 19538 11419 1 20 . 1 1 34 34 ILE CA C 34 63.210 63.210 64.013 -0.803 19538 11420 1 20 . 1 1 34 34 ILE CB C 34 38.027 38.027 38.706 -0.679 19538 11421 1 20 . 1 1 35 35 THR N N 35 109.823 109.823 110.916 -1.093 19538 11422 1 20 . 1 1 35 35 THR HA H 35 4.291 4.291 4.489 -0.198 19538 11423 1 20 . 1 1 35 35 THR CA C 35 61.511 61.511 60.933 0.578 19538 11424 1 20 . 1 1 35 35 THR CB C 35 68.374 68.374 68.363 0.011 19538 11425 1 20 . 1 1 35 35 THR H H 35 7.995 7.995 7.928 0.067 19538 11426 1 20 . 1 1 36 36 GLY N N 36 109.916 109.916 109.666 0.250 19538 11427 1 20 . 1 1 36 36 GLY CA C 36 44.282 44.282 44.720 -0.438 19538 11428 1 20 . 1 1 36 36 GLY H H 36 7.564 7.564 7.442 0.122 19538 11429 1 20 . 1 1 37 37 LYS N N 37 119.833 119.833 121.490 -1.657 19538 11430 1 20 . 1 1 37 37 LYS HA H 37 4.442 4.442 4.565 -0.123 19538 11431 1 20 . 1 1 37 37 LYS CA C 37 54.520 54.520 55.101 -0.581 19538 11432 1 20 . 1 1 37 37 LYS CB C 37 33.208 33.208 33.618 -0.410 19538 11433 1 20 . 1 1 37 37 LYS H H 37 8.236 8.236 8.345 -0.109 19538 11434 1 20 . 1 1 38 38 GLU N N 38 125.697 125.697 123.774 1.923 19538 11435 1 20 . 1 1 38 38 GLU HA H 38 3.907 3.907 4.397 -0.490 19538 11436 1 20 . 1 1 38 38 GLU CA C 38 56.731 56.731 55.234 1.497 19538 11437 1 20 . 1 1 38 38 GLU CB C 38 29.779 29.779 31.514 -1.734 19538 11438 1 20 . 1 1 38 38 GLU H H 38 8.175 8.175 8.671 -0.496 19538 11439 1 20 . 1 1 39 39 ARG N N 39 128.738 128.738 122.432 6.306 19538 11440 1 20 . 1 1 39 39 ARG HA H 39 4.260 4.260 4.414 -0.154 19538 11441 1 20 . 1 1 39 39 ARG CA C 39 55.343 55.343 55.014 0.329 19538 11442 1 20 . 1 1 39 39 ARG CB C 39 29.529 29.529 30.364 -0.835 19538 11443 1 20 . 1 1 39 39 ARG H H 39 8.920 8.920 8.467 0.453 19538 11444 1 20 . 1 1 40 40 LEU N N 40 127.659 127.659 125.441 2.218 19538 11445 1 20 . 1 1 40 40 LEU HA H 40 4.488 4.488 4.553 -0.065 19538 11446 1 20 . 1 1 40 40 LEU CA C 40 53.848 53.848 55.306 -1.458 19538 11447 1 20 . 1 1 40 40 LEU CB C 40 42.333 42.333 42.790 -0.457 19538 11448 1 20 . 1 1 40 40 LEU H H 40 8.670 8.670 8.517 0.153 19538 11449 1 20 . 1 1 41 41 LYS N N 41 121.136 121.136 123.269 -2.133 19538 11450 1 20 . 1 1 41 41 LYS HA H 41 4.647 4.647 4.739 -0.092 19538 11451 1 20 . 1 1 41 41 LYS CA C 41 55.062 55.062 55.110 -0.048 19538 11452 1 20 . 1 1 41 41 LYS CB C 41 35.064 35.064 36.620 -1.556 19538 11453 1 20 . 1 1 41 41 LYS H H 41 8.273 8.273 8.194 0.079 19538 11454 1 20 . 1 1 42 42 ALA N N 42 123.758 123.758 125.351 -1.593 19538 11455 1 20 . 1 1 42 42 ALA HA H 42 5.605 5.605 5.390 0.215 19538 11456 1 20 . 1 1 42 42 ALA CA C 42 50.529 50.529 50.931 -0.403 19538 11457 1 20 . 1 1 42 42 ALA CB C 42 22.577 22.577 22.174 0.403 19538 11458 1 20 . 1 1 42 42 ALA H H 42 8.488 8.488 8.546 -0.058 19538 11459 1 20 . 1 1 43 43 TYR N N 43 116.716 116.716 119.244 -2.528 19538 11460 1 20 . 1 1 43 43 TYR HA H 43 4.758 4.758 4.854 -0.096 19538 11461 1 20 . 1 1 43 43 TYR CA C 43 55.975 55.975 56.103 -0.128 19538 11462 1 20 . 1 1 43 43 TYR CB C 43 38.409 38.409 39.753 -1.344 19538 11463 1 20 . 1 1 43 43 TYR H H 43 8.123 8.123 9.017 -0.894 19538 11464 1 20 . 1 1 44 44 GLY N N 44 106.591 106.591 106.957 -0.366 19538 11465 1 20 . 1 1 44 44 GLY CA C 44 45.172 45.172 44.636 0.536 19538 11466 1 20 . 1 1 44 44 GLY H H 44 8.663 8.663 8.796 -0.133 19538 11467 1 20 . 1 1 45 45 GLU N N 45 118.850 118.850 125.007 -6.157 19538 11468 1 20 . 1 1 45 45 GLU HA H 45 4.310 4.310 4.028 0.282 19538 11469 1 20 . 1 1 45 45 GLU CA C 45 56.286 56.286 57.255 -0.969 19538 11470 1 20 . 1 1 45 45 GLU CB C 45 31.304 31.304 30.184 1.120 19538 11471 1 20 . 1 1 45 45 GLU H H 45 8.287 8.287 8.717 -0.430 19538 11472 1 20 . 1 1 46 46 LEU N N 46 124.692 124.692 123.307 1.385 19538 11473 1 20 . 1 1 46 46 LEU HA H 46 4.361 4.361 3.721 0.640 19538 11474 1 20 . 1 1 46 46 LEU CA C 46 54.967 54.967 57.260 -2.293 19538 11475 1 20 . 1 1 46 46 LEU CB C 46 41.980 41.980 41.188 0.791 19538 11476 1 20 . 1 1 46 46 LEU H H 46 9.010 9.010 8.763 0.247 19538 11477 1 20 . 1 1 47 47 ILE N N 47 123.302 123.302 110.634 12.668 19538 11478 1 20 . 1 1 47 47 ILE HA H 47 4.272 4.272 4.283 -0.011 19538 11479 1 20 . 1 1 47 47 ILE CA C 47 60.399 60.399 60.142 0.257 19538 11480 1 20 . 1 1 47 47 ILE CB C 47 38.676 38.676 37.077 1.599 19538 11481 1 20 . 1 1 47 47 ILE H H 47 8.407 8.407 7.470 0.937 19538 11482 1 20 . 1 1 48 48 THR N N 48 117.749 117.749 115.336 2.413 19538 11483 1 20 . 1 1 48 48 THR HA H 48 4.330 4.330 3.883 0.447 19538 11484 1 20 . 1 1 48 48 THR CA C 48 61.234 61.234 65.191 -3.957 19538 11485 1 20 . 1 1 48 48 THR CB C 48 69.327 69.327 68.873 0.455 19538 11486 1 20 . 1 1 48 48 THR H H 48 8.183 8.183 7.551 0.632 19538 11487 1 20 . 1 1 49 49 ASN N N 49 120.102 120.102 117.672 2.430 19538 11488 1 20 . 1 1 49 49 ASN HA H 49 4.585 4.585 4.707 -0.122 19538 11489 1 20 . 1 1 49 49 ASN CA C 49 53.193 53.193 53.835 -0.642 19538 11490 1 20 . 1 1 49 49 ASN CB C 49 38.261 38.261 39.664 -1.403 19538 11491 1 20 . 1 1 49 49 ASN H H 49 8.418 8.418 8.494 -0.076 19538 11492 1 20 . 1 1 50 50 ASP N N 50 119.783 119.783 118.321 1.462 19538 11493 1 20 . 1 1 50 50 ASP HA H 50 4.454 4.454 4.622 -0.168 19538 11494 1 20 . 1 1 50 50 ASP CA C 50 53.950 53.950 55.502 -1.552 19538 11495 1 20 . 1 1 50 50 ASP CB C 50 41.231 41.231 41.003 0.228 19538 11496 1 20 . 1 1 50 50 ASP H H 50 8.096 8.096 8.299 -0.203 19538 11497 1 20 . 1 1 51 51 LYS N N 51 120.547 120.547 119.070 1.477 19538 11498 1 20 . 1 1 51 51 LYS HA H 51 4.017 4.017 4.161 -0.144 19538 11499 1 20 . 1 1 51 51 LYS CA C 51 56.633 56.633 58.414 -1.781 19538 11500 1 20 . 1 1 51 51 LYS CB C 51 32.052 32.052 33.069 -1.017 19538 11501 1 20 . 1 1 51 51 LYS H H 51 8.173 8.173 7.904 0.269 19538 11502 1 20 . 1 1 52 52 TRP N N 52 120.062 120.062 116.342 3.720 19538 11503 1 20 . 1 1 52 52 TRP HA H 52 4.617 4.617 5.024 -0.407 19538 11504 1 20 . 1 1 52 52 TRP CA C 52 57.045 57.045 59.067 -2.022 19538 11505 1 20 . 1 1 52 52 TRP CB C 52 29.251 29.251 30.548 -1.297 19538 11506 1 20 . 1 1 52 52 TRP H H 52 8.094 8.094 8.638 -0.544 19538 11507 1 20 . 1 1 53 53 THR N N 53 115.770 115.770 111.080 4.690 19538 11508 1 20 . 1 1 53 53 THR HA H 53 4.262 4.262 4.348 -0.086 19538 11509 1 20 . 1 1 53 53 THR CA C 53 61.625 61.625 61.474 0.151 19538 11510 1 20 . 1 1 53 53 THR CB C 53 69.153 69.153 67.872 1.281 19538 11511 1 20 . 1 1 53 53 THR H H 53 7.789 7.789 8.204 -0.415 19538 11512 1 20 . 1 1 54 54 ARG N N 54 122.136 122.136 122.338 -0.202 19538 11513 1 20 . 1 1 54 54 ARG HA H 54 4.133 4.133 4.014 0.119 19538 11514 1 20 . 1 1 54 54 ARG CA C 54 56.038 56.038 58.377 -2.339 19538 11515 1 20 . 1 1 54 54 ARG CB C 54 30.441 30.441 29.822 0.619 19538 11516 1 20 . 1 1 54 54 ARG H H 54 8.191 8.191 7.576 0.615 19538 11517 1 20 . 1 1 55 55 ASN N N 55 117.842 117.842 116.995 0.847 19538 11518 1 20 . 1 1 55 55 ASN HA H 55 4.713 4.713 4.485 0.228 19538 11519 1 20 . 1 1 55 55 ASN CA C 55 52.873 52.873 55.416 -2.543 19538 11520 1 20 . 1 1 55 55 ASN CB C 55 38.769 38.769 38.585 0.184 19538 11521 1 20 . 1 1 55 55 ASN H H 55 8.205 8.205 8.568 -0.363 19538 11522 1 20 . 1 1 56 56 ARG N N 56 121.615 121.615 118.095 3.520 19538 11523 1 20 . 1 1 56 56 ARG HA H 56 4.542 4.542 4.821 -0.279 19538 11524 1 20 . 1 1 56 56 ARG CA C 56 53.765 53.765 53.143 0.622 19538 11525 1 20 . 1 1 56 56 ARG CB C 56 30.009 30.009 30.192 -0.183 19538 11526 1 20 . 1 1 56 56 ARG H H 56 8.246 8.246 8.336 -0.090 19538 11527 1 20 . 1 1 57 57 PRO HA H 57 4.273 4.273 4.656 -0.383 19538 11528 1 20 . 1 1 57 57 PRO CA C 57 62.424 62.424 61.606 0.818 19538 11529 1 20 . 1 1 57 57 PRO CB C 57 31.987 31.987 32.911 -0.924 19538 11530 1 20 . 1 1 58 58 ILE N N 58 122.700 122.700 121.022 1.678 19538 11531 1 20 . 1 1 58 58 ILE HA H 58 4.089 4.089 4.023 0.066 19538 11532 1 20 . 1 1 58 58 ILE CA C 58 60.655 60.655 62.731 -2.076 19538 11533 1 20 . 1 1 58 58 ILE CB C 58 37.111 37.111 35.688 1.423 19538 11534 1 20 . 1 1 58 58 ILE H H 58 8.098 8.098 8.282 -0.184 19538 11535 1 20 . 1 1 59 59 VAL N N 59 124.097 124.097 120.246 3.851 19538 11536 1 20 . 1 1 59 59 VAL HA H 59 4.549 4.549 4.842 -0.293 19538 11537 1 20 . 1 1 59 59 VAL CA C 59 59.613 59.613 59.284 0.329 19538 11538 1 20 . 1 1 59 59 VAL CB C 59 34.980 34.980 35.077 -0.097 19538 11539 1 20 . 1 1 59 59 VAL H H 59 8.167 8.167 8.404 -0.237 19538 11540 1 20 . 1 1 60 60 SER N N 60 119.752 119.752 113.787 5.965 19538 11541 1 20 . 1 1 60 60 SER HA H 60 5.136 5.136 5.689 -0.553 19538 11542 1 20 . 1 1 60 60 SER CA C 60 56.467 56.467 56.612 -0.145 19538 11543 1 20 . 1 1 60 60 SER CB C 60 64.890 64.890 66.438 -1.548 19538 11544 1 20 . 1 1 60 60 SER H H 60 8.592 8.592 8.475 0.117 19538 11545 1 20 . 1 1 61 61 THR N N 61 117.559 117.559 115.611 1.948 19538 11546 1 20 . 1 1 61 61 THR HA H 61 4.576 4.576 4.450 0.126 19538 11547 1 20 . 1 1 61 61 THR CA C 61 61.348 61.348 61.383 -0.035 19538 11548 1 20 . 1 1 61 61 THR CB C 61 70.276 70.276 69.608 0.669 19538 11549 1 20 . 1 1 61 61 THR H H 61 9.214 9.214 8.805 0.409 19538 11550 1 20 . 1 1 62 62 LYS N N 62 123.743 123.743 121.093 2.650 19538 11551 1 20 . 1 1 62 62 LYS HA H 62 5.507 5.507 4.938 0.569 19538 11552 1 20 . 1 1 62 62 LYS CA C 62 54.843 54.843 54.803 0.040 19538 11553 1 20 . 1 1 62 62 LYS CB C 62 35.211 35.211 33.327 1.884 19538 11554 1 20 . 1 1 62 62 LYS H H 62 8.687 8.687 8.298 0.389 19538 11555 1 20 . 1 1 63 63 LYS N N 63 121.218 121.218 124.885 -3.667 19538 11556 1 20 . 1 1 63 63 LYS HA H 63 4.595 4.595 4.673 -0.078 19538 11557 1 20 . 1 1 63 63 LYS CA C 63 54.760 54.760 55.203 -0.443 19538 11558 1 20 . 1 1 63 63 LYS CB C 63 36.712 36.712 35.552 1.160 19538 11559 1 20 . 1 1 63 63 LYS H H 63 8.797 8.797 8.514 0.283 19538 11560 1 20 . 1 1 64 64 LEU N N 64 124.605 124.605 126.407 -1.802 19538 11561 1 20 . 1 1 64 64 LEU HA H 64 4.920 4.920 5.036 -0.116 19538 11562 1 20 . 1 1 64 64 LEU CA C 64 53.797 53.797 53.864 -0.067 19538 11563 1 20 . 1 1 64 64 LEU CB C 64 43.553 43.553 44.264 -0.710 19538 11564 1 20 . 1 1 64 64 LEU H H 64 8.604 8.604 8.592 0.012 19538 11565 1 20 . 1 1 65 65 ASP N N 65 122.577 122.577 125.851 -3.274 19538 11566 1 20 . 1 1 65 65 ASP HA H 65 4.664 4.664 5.114 -0.450 19538 11567 1 20 . 1 1 65 65 ASP CA C 65 51.824 51.824 52.383 -0.559 19538 11568 1 20 . 1 1 65 65 ASP CB C 65 41.277 41.277 43.528 -2.251 19538 11569 1 20 . 1 1 65 65 ASP H H 65 8.455 8.455 8.422 0.033 19538 11570 1 20 . 1 1 66 66 LYS N N 66 117.718 117.718 119.439 -1.721 19538 11571 1 20 . 1 1 66 66 LYS HA H 66 4.052 4.052 3.969 0.083 19538 11572 1 20 . 1 1 66 66 LYS CA C 66 58.116 58.116 58.871 -0.755 19538 11573 1 20 . 1 1 66 66 LYS CB C 66 31.677 31.677 32.016 -0.339 19538 11574 1 20 . 1 1 66 66 LYS H H 66 8.339 8.339 8.693 -0.354 19538 11575 1 20 . 1 1 67 67 GLU N N 67 118.253 118.253 118.488 -0.235 19538 11576 1 20 . 1 1 67 67 GLU HA H 67 4.323 4.323 4.172 0.151 19538 11577 1 20 . 1 1 67 67 GLU CA C 67 56.018 56.018 57.102 -1.085 19538 11578 1 20 . 1 1 67 67 GLU CB C 67 29.587 29.587 29.582 0.005 19538 11579 1 20 . 1 1 67 67 GLU H H 67 8.096 8.096 8.143 -0.047 19538 11580 1 20 . 1 1 68 68 GLY N N 68 107.960 107.960 107.477 0.483 19538 11581 1 20 . 1 1 68 68 GLY CA C 68 45.213 45.213 45.465 -0.251 19538 11582 1 20 . 1 1 68 68 GLY H H 68 8.168 8.168 8.495 -0.327 19538 11583 1 20 . 1 1 69 69 ARG N N 69 121.436 121.436 120.396 1.040 19538 11584 1 20 . 1 1 69 69 ARG HA H 69 4.482 4.482 4.859 -0.377 19538 11585 1 20 . 1 1 69 69 ARG CA C 69 54.229 54.229 53.860 0.369 19538 11586 1 20 . 1 1 69 69 ARG CB C 69 30.399 30.399 30.760 -0.361 19538 11587 1 20 . 1 1 69 69 ARG H H 69 8.590 8.590 7.685 0.905 19538 11588 1 20 . 1 1 70 70 THR N N 70 120.709 120.709 121.319 -0.610 19538 11589 1 20 . 1 1 70 70 THR HA H 70 4.298 4.298 4.763 -0.465 19538 11590 1 20 . 1 1 70 70 THR CA C 70 64.365 64.365 62.284 2.081 19538 11591 1 20 . 1 1 70 70 THR CB C 70 68.832 68.832 69.213 -0.381 19538 11592 1 20 . 1 1 70 70 THR H H 70 8.822 8.822 8.294 0.528 19538 11593 1 20 . 1 1 71 71 HIS N N 71 127.496 127.496 127.254 0.242 19538 11594 1 20 . 1 1 71 71 HIS HA H 71 5.138 5.138 4.703 0.435 19538 11595 1 20 . 1 1 71 71 HIS CA C 71 53.948 53.948 55.525 -1.577 19538 11596 1 20 . 1 1 71 71 HIS CB C 71 31.791 31.791 31.336 0.455 19538 11597 1 20 . 1 1 71 71 HIS H H 71 9.384 9.384 9.698 -0.314 19538 11598 1 20 . 1 1 72 72 HIS N N 72 121.684 121.684 127.603 -5.919 19538 11599 1 20 . 1 1 72 72 HIS HA H 72 5.094 5.094 5.366 -0.272 19538 11600 1 20 . 1 1 72 72 HIS CA C 72 54.390 54.390 54.590 -0.200 19538 11601 1 20 . 1 1 72 72 HIS CB C 72 33.961 33.961 30.749 3.212 19538 11602 1 20 . 1 1 72 72 HIS H H 72 9.076 9.076 9.566 -0.490 19538 11603 1 20 . 1 1 73 73 TYR N N 73 121.287 121.287 125.270 -3.983 19538 11604 1 20 . 1 1 73 73 TYR HA H 73 5.305 5.305 4.927 0.378 19538 11605 1 20 . 1 1 73 73 TYR CA C 73 56.017 56.017 57.717 -1.700 19538 11606 1 20 . 1 1 73 73 TYR CB C 73 39.479 39.479 39.880 -0.401 19538 11607 1 20 . 1 1 73 73 TYR H H 73 9.305 9.305 8.467 0.838 19538 11608 1 20 . 1 1 74 74 MET N N 74 124.078 124.078 124.789 -0.711 19538 11609 1 20 . 1 1 74 74 MET HA H 74 4.867 4.867 5.443 -0.576 19538 11610 1 20 . 1 1 74 74 MET CA C 74 54.701 54.701 54.359 0.342 19538 11611 1 20 . 1 1 74 74 MET CB C 74 38.007 38.007 36.650 1.357 19538 11612 1 20 . 1 1 74 74 MET H H 74 8.761 8.761 9.476 -0.715 19538 11613 1 20 . 1 1 75 75 ARG N N 75 123.962 123.962 125.613 -1.651 19538 11614 1 20 . 1 1 75 75 ARG HA H 75 5.471 5.471 5.384 0.087 19538 11615 1 20 . 1 1 75 75 ARG CA C 75 53.340 53.340 54.685 -1.345 19538 11616 1 20 . 1 1 75 75 ARG CB C 75 34.441 34.441 32.915 1.526 19538 11617 1 20 . 1 1 75 75 ARG H H 75 8.427 8.427 8.484 -0.057 19538 11618 1 20 . 1 1 76 76 PHE N N 76 114.935 114.935 117.486 -2.551 19538 11619 1 20 . 1 1 76 76 PHE HA H 76 4.621 4.621 5.038 -0.417 19538 11620 1 20 . 1 1 76 76 PHE CA C 76 55.856 55.856 56.228 -0.372 19538 11621 1 20 . 1 1 76 76 PHE CB C 76 39.167 39.167 41.106 -1.939 19538 11622 1 20 . 1 1 76 76 PHE H H 76 8.296 8.296 8.605 -0.309 19538 11623 1 20 . 1 1 77 77 HIS N N 77 117.830 117.830 119.257 -1.427 19538 11624 1 20 . 1 1 77 77 HIS HA H 77 5.451 5.451 5.557 -0.106 19538 11625 1 20 . 1 1 77 77 HIS CA C 77 54.767 54.767 55.495 -0.728 19538 11626 1 20 . 1 1 77 77 HIS CB C 77 31.102 31.102 32.647 -1.545 19538 11627 1 20 . 1 1 77 77 HIS H H 77 9.190 9.190 9.309 -0.119 19538 11628 1 20 . 1 1 78 78 VAL N N 78 114.372 114.372 117.624 -3.252 19538 11629 1 20 . 1 1 78 78 VAL HA H 78 5.110 5.110 5.284 -0.174 19538 11630 1 20 . 1 1 78 78 VAL CA C 78 59.653 59.653 59.055 0.598 19538 11631 1 20 . 1 1 78 78 VAL CB C 78 35.073 35.073 35.888 -0.815 19538 11632 1 20 . 1 1 78 78 VAL H H 78 7.860 7.860 9.334 -1.474 19538 11633 1 20 . 1 1 79 79 GLU N N 79 126.076 126.076 123.507 2.569 19538 11634 1 20 . 1 1 79 79 GLU HA H 79 5.400 5.400 5.026 0.374 19538 11635 1 20 . 1 1 79 79 GLU CA C 79 54.316 54.316 55.398 -1.082 19538 11636 1 20 . 1 1 79 79 GLU CB C 79 34.060 34.060 32.308 1.752 19538 11637 1 20 . 1 1 79 79 GLU H H 79 9.213 9.213 9.264 -0.051 19538 11638 1 20 . 1 1 80 80 SER N N 80 124.627 124.627 123.463 1.164 19538 11639 1 20 . 1 1 80 80 SER HA H 80 4.892 4.892 4.915 -0.023 19538 11640 1 20 . 1 1 80 80 SER CA C 80 54.930 54.930 57.529 -2.599 19538 11641 1 20 . 1 1 80 80 SER CB C 80 67.503 67.503 63.937 3.566 19538 11642 1 20 . 1 1 80 80 SER H H 80 9.464 9.464 9.373 0.091 19538 11643 1 20 . 1 1 81 81 LYS N N 81 119.240 119.240 119.645 -0.405 19538 11644 1 20 . 1 1 81 81 LYS HA H 81 4.000 4.000 4.175 -0.175 19538 11645 1 20 . 1 1 81 81 LYS CA C 81 59.099 59.099 58.656 0.443 19538 11646 1 20 . 1 1 81 81 LYS CB C 81 31.721 31.721 32.511 -0.790 19538 11647 1 20 . 1 1 81 81 LYS H H 81 10.052 10.052 8.418 1.634 19538 11648 1 20 . 1 1 82 82 LYS N N 82 114.688 114.688 114.530 0.158 19538 11649 1 20 . 1 1 82 82 LYS HA H 82 4.365 4.365 4.424 -0.059 19538 11650 1 20 . 1 1 82 82 LYS CA C 82 56.211 56.211 56.005 0.206 19538 11651 1 20 . 1 1 82 82 LYS CB C 82 36.484 36.484 34.614 1.870 19538 11652 1 20 . 1 1 82 82 LYS H H 82 7.782 7.782 7.853 -0.071 19538 11653 1 20 . 1 1 83 83 LYS N N 83 118.992 118.992 119.070 -0.078 19538 11654 1 20 . 1 1 83 83 LYS HA H 83 4.749 4.749 4.695 0.054 19538 11655 1 20 . 1 1 83 83 LYS CA C 83 53.590 53.590 54.697 -1.107 19538 11656 1 20 . 1 1 83 83 LYS CB C 83 39.218 39.218 36.416 2.802 19538 11657 1 20 . 1 1 83 83 LYS H H 83 7.962 7.962 7.825 0.137 19538 11658 1 20 . 1 1 84 84 ILE N N 84 118.513 118.513 120.722 -2.209 19538 11659 1 20 . 1 1 84 84 ILE HA H 84 4.556 4.556 4.837 -0.281 19538 11660 1 20 . 1 1 84 84 ILE CA C 84 60.643 60.643 60.554 0.089 19538 11661 1 20 . 1 1 84 84 ILE CB C 84 39.946 39.946 39.373 0.573 19538 11662 1 20 . 1 1 84 84 ILE H H 84 7.927 7.927 8.600 -0.673 19538 11663 1 20 . 1 1 85 85 ALA N N 85 127.327 127.327 129.585 -2.258 19538 11664 1 20 . 1 1 85 85 ALA HA H 85 5.048 5.048 5.056 -0.008 19538 11665 1 20 . 1 1 85 85 ALA CA C 85 49.316 49.316 49.603 -0.287 19538 11666 1 20 . 1 1 85 85 ALA CB C 85 24.205 24.205 23.176 1.029 19538 11667 1 20 . 1 1 85 85 ALA H H 85 9.211 9.211 9.267 -0.056 19538 11668 1 20 . 1 1 86 86 LEU N N 86 122.978 122.978 121.568 1.410 19538 11669 1 20 . 1 1 86 86 LEU HA H 86 4.554 4.554 4.109 0.445 19538 11670 1 20 . 1 1 86 86 LEU CA C 86 53.671 53.671 53.304 0.367 19538 11671 1 20 . 1 1 86 86 LEU CB C 86 44.396 44.396 45.199 -0.803 19538 11672 1 20 . 1 1 86 86 LEU H H 86 8.312 8.312 8.754 -0.442 19538 11673 1 20 . 1 1 87 87 VAL N N 87 127.511 127.511 126.046 1.465 19538 11674 1 20 . 1 1 87 87 VAL HA H 87 4.244 4.244 4.372 -0.128 19538 11675 1 20 . 1 1 87 87 VAL CA C 87 60.226 60.226 60.597 -0.371 19538 11676 1 20 . 1 1 87 87 VAL CB C 87 31.609 31.609 33.202 -1.593 19538 11677 1 20 . 1 1 87 87 VAL H H 87 9.017 9.017 9.078 -0.061 19538 11678 1 20 . 1 1 88 88 HIS N N 88 124.227 124.227 127.436 -3.209 19538 11679 1 20 . 1 1 88 88 HIS HA H 88 4.687 4.687 4.844 -0.157 19538 11680 1 20 . 1 1 88 88 HIS CA C 88 54.314 54.314 53.138 1.176 19538 11681 1 20 . 1 1 88 88 HIS CB C 88 33.245 33.245 31.491 1.754 19538 11682 1 20 . 1 1 88 88 HIS H H 88 8.104 8.104 9.021 -0.917 19538 11683 1 20 . 1 1 89 89 LEU N N 89 121.992 121.992 129.116 -7.124 19538 11684 1 20 . 1 1 89 89 LEU HA H 89 5.050 5.050 5.110 -0.060 19538 11685 1 20 . 1 1 89 89 LEU CA C 89 52.983 52.983 54.067 -1.084 19538 11686 1 20 . 1 1 89 89 LEU CB C 89 46.355 46.355 46.503 -0.148 19538 11687 1 20 . 1 1 89 89 LEU H H 89 8.600 8.600 9.514 -0.914 19538 11688 1 20 . 1 1 90 90 GLU N N 90 121.551 121.551 125.467 -3.916 19538 11689 1 20 . 1 1 90 90 GLU HA H 90 5.253 5.253 5.776 -0.523 19538 11690 1 20 . 1 1 90 90 GLU CA C 90 53.422 53.422 54.485 -1.063 19538 11691 1 20 . 1 1 90 90 GLU CB C 90 33.238 33.238 33.937 -0.699 19538 11692 1 20 . 1 1 90 90 GLU H H 90 8.816 8.816 9.541 -0.725 19538 11693 1 20 . 1 1 91 91 ALA N N 91 128.266 128.266 126.847 1.419 19538 11694 1 20 . 1 1 91 91 ALA HA H 91 5.385 5.385 5.495 -0.110 19538 11695 1 20 . 1 1 91 91 ALA CA C 91 49.164 49.164 50.146 -0.982 19538 11696 1 20 . 1 1 91 91 ALA CB C 91 23.227 23.227 23.349 -0.122 19538 11697 1 20 . 1 1 91 91 ALA H H 91 9.287 9.287 9.199 0.088 19538 11698 1 20 . 1 1 92 92 LYS N N 92 121.573 121.573 119.322 2.251 19538 11699 1 20 . 1 1 92 92 LYS HA H 92 4.884 4.884 5.488 -0.604 19538 11700 1 20 . 1 1 92 92 LYS CA C 92 54.365 54.365 53.971 0.395 19538 11701 1 20 . 1 1 92 92 LYS CB C 92 36.427 36.427 36.250 0.177 19538 11702 1 20 . 1 1 92 92 LYS H H 92 9.160 9.160 9.017 0.143 19538 11703 1 20 . 1 1 93 93 GLU N N 93 127.022 127.022 124.069 2.953 19538 11704 1 20 . 1 1 93 93 GLU HA H 93 4.145 4.145 4.373 -0.228 19538 11705 1 20 . 1 1 93 93 GLU CA C 93 56.227 56.227 56.503 -0.276 19538 11706 1 20 . 1 1 93 93 GLU CB C 93 30.986 30.986 30.457 0.529 19538 11707 1 20 . 1 1 93 93 GLU H H 93 8.525 8.525 9.082 -0.557 19538 11708 1 20 . 1 1 94 94 SER N N 94 120.676 120.676 121.075 -0.399 19538 11709 1 20 . 1 1 94 94 SER HA H 94 4.416 4.416 4.107 0.309 19538 11710 1 20 . 1 1 94 94 SER CA C 94 57.241 57.241 62.835 -5.594 19538 11711 1 20 . 1 1 94 94 SER CB C 94 63.634 63.634 63.412 0.222 19538 11712 1 20 . 1 1 94 94 SER H H 94 8.877 8.877 8.699 0.178 19538 11713 1 20 . 1 1 95 95 LYS HA H 95 4.212 4.212 4.504 -0.292 19538 11714 1 20 . 1 1 95 95 LYS CA C 95 56.036 56.036 57.729 -1.693 19538 11715 1 20 . 1 1 95 95 LYS CB C 95 33.113 33.113 32.364 0.749 19538 11716 1 20 . 1 1 96 96 GLN N N 96 118.641 118.641 118.471 0.170 19538 11717 1 20 . 1 1 96 96 GLN HA H 96 4.140 4.140 4.452 -0.312 19538 11718 1 20 . 1 1 96 96 GLN CA C 96 56.338 56.338 55.155 1.183 19538 11719 1 20 . 1 1 96 96 GLN CB C 96 28.958 28.958 29.204 -0.246 19538 11720 1 20 . 1 1 96 96 GLN H H 96 8.335 8.335 8.072 0.263 19538 11721 1 20 . 1 1 97 97 ASN N N 97 116.545 116.545 117.978 -1.433 19538 11722 1 20 . 1 1 97 97 ASN HA H 97 4.511 4.511 4.496 0.015 19538 11723 1 20 . 1 1 97 97 ASN CA C 97 53.163 53.163 53.139 0.024 19538 11724 1 20 . 1 1 97 97 ASN CB C 97 38.370 38.370 39.146 -0.776 19538 11725 1 20 . 1 1 97 97 ASN H H 97 8.199 8.199 7.838 0.361 19538 11726 1 20 . 1 1 98 98 TYR N N 98 119.134 119.134 122.158 -3.024 19538 11727 1 20 . 1 1 98 98 TYR HA H 98 4.482 4.482 4.287 0.195 19538 11728 1 20 . 1 1 98 98 TYR CA C 98 57.458 57.458 60.178 -2.720 19538 11729 1 20 . 1 1 98 98 TYR CB C 98 38.539 38.539 38.743 -0.204 19538 11730 1 20 . 1 1 98 98 TYR H H 98 7.918 7.918 8.593 -0.675 19538 11731 1 20 . 1 1 99 99 GLN N N 99 119.975 119.975 117.265 2.710 19538 11732 1 20 . 1 1 99 99 GLN HA H 99 4.440 4.440 4.656 -0.216 19538 11733 1 20 . 1 1 99 99 GLN CA C 99 53.092 53.092 52.847 0.245 19538 11734 1 20 . 1 1 99 99 GLN CB C 99 27.891 27.891 29.790 -1.899 19538 11735 1 20 . 1 1 99 99 GLN H H 99 7.992 7.992 7.757 0.235 19538 11736 1 20 . 1 1 100 100 PRO HA H 100 4.294 4.294 4.204 0.090 19538 11737 1 20 . 1 1 100 100 PRO CA C 100 62.415 62.415 62.501 -0.086 19538 11738 1 20 . 1 1 100 100 PRO CB C 100 32.538 32.538 32.106 0.432 19538 11739 1 20 . 1 1 101 101 ASP N N 101 120.964 120.964 121.745 -0.781 19538 11740 1 20 . 1 1 101 101 ASP HA H 101 4.654 4.654 4.361 0.293 19538 11741 1 20 . 1 1 101 101 ASP CA C 101 52.845 52.845 54.448 -1.603 19538 11742 1 20 . 1 1 101 101 ASP CB C 101 42.316 42.316 41.308 1.008 19538 11743 1 20 . 1 1 101 101 ASP H H 101 8.225 8.225 8.258 -0.033 19538 11744 1 20 . 1 1 102 102 PHE N N 102 122.913 122.913 122.296 0.617 19538 11745 1 20 . 1 1 102 102 PHE HA H 102 4.642 4.642 4.660 -0.018 19538 11746 1 20 . 1 1 102 102 PHE CA C 102 57.341 57.341 58.187 -0.846 19538 11747 1 20 . 1 1 102 102 PHE CB C 102 38.576 38.576 37.962 0.614 19538 11748 1 20 . 1 1 102 102 PHE H H 102 9.014 9.014 8.169 0.845 19538 11749 1 20 . 1 1 103 103 ILE N N 103 117.131 117.131 124.672 -7.541 19538 11750 1 20 . 1 1 103 103 ILE HA H 103 4.464 4.464 3.725 0.739 19538 11751 1 20 . 1 1 103 103 ILE CA C 103 60.346 60.346 64.111 -3.765 19538 11752 1 20 . 1 1 103 103 ILE CB C 103 39.243 39.243 38.345 0.898 19538 11753 1 20 . 1 1 103 103 ILE H H 103 8.765 8.765 8.524 0.241 19538 11754 1 20 . 1 1 104 104 ASN N N 104 117.264 117.264 114.356 2.908 19538 11755 1 20 . 1 1 104 104 ASN HA H 104 4.913 4.913 5.006 -0.093 19538 11756 1 20 . 1 1 104 104 ASN CA C 104 52.710 52.710 52.798 -0.088 19538 11757 1 20 . 1 1 104 104 ASN CB C 104 41.361 41.361 42.237 -0.876 19538 11758 1 20 . 1 1 104 104 ASN H H 104 7.441 7.441 7.949 -0.508 19538 11759 1 20 . 1 1 105 105 MET N N 105 125.685 125.685 119.318 6.367 19538 11760 1 20 . 1 1 105 105 MET HA H 105 5.484 5.484 5.287 0.197 19538 11761 1 20 . 1 1 105 105 MET CA C 105 56.071 56.071 55.394 0.677 19538 11762 1 20 . 1 1 105 105 MET CB C 105 34.514 34.514 35.233 -0.718 19538 11763 1 20 . 1 1 105 105 MET H H 105 9.244 9.244 8.191 1.053 19538 11764 1 20 . 1 1 106 106 TYR N N 106 125.856 125.856 119.658 6.198 19538 11765 1 20 . 1 1 106 106 TYR HA H 106 5.438 5.438 5.333 0.105 19538 11766 1 20 . 1 1 106 106 TYR CA C 106 54.552 54.552 55.188 -0.636 19538 11767 1 20 . 1 1 106 106 TYR CB C 106 40.104 40.104 40.772 -0.668 19538 11768 1 20 . 1 1 106 106 TYR H H 106 8.893 8.893 8.890 0.003 19538 11769 1 20 . 1 1 107 107 VAL N N 107 117.033 117.033 119.927 -2.894 19538 11770 1 20 . 1 1 107 107 VAL HA H 107 4.957 4.957 4.766 0.191 19538 11771 1 20 . 1 1 107 107 VAL CA C 107 60.008 60.008 60.965 -0.957 19538 11772 1 20 . 1 1 107 107 VAL CB C 107 35.319 35.319 34.540 0.779 19538 11773 1 20 . 1 1 107 107 VAL H H 107 9.041 9.041 9.383 -0.342 19538 11774 1 20 . 1 1 108 108 ASP N N 108 129.995 129.995 128.586 1.409 19538 11775 1 20 . 1 1 108 108 ASP HA H 108 5.240 5.240 4.979 0.261 19538 11776 1 20 . 1 1 108 108 ASP CA C 108 52.975 52.975 52.045 0.930 19538 11777 1 20 . 1 1 108 108 ASP CB C 108 42.245 42.245 42.702 -0.457 19538 11778 1 20 . 1 1 108 108 ASP H H 108 9.382 9.382 9.321 0.061 19538 11779 1 20 . 1 1 109 109 VAL N N 109 129.641 129.641 126.709 2.932 19538 11780 1 20 . 1 1 109 109 VAL HA H 109 4.464 4.464 4.410 0.054 19538 11781 1 20 . 1 1 109 109 VAL CA C 109 58.694 58.694 58.650 0.044 19538 11782 1 20 . 1 1 109 109 VAL CB C 109 33.061 33.061 33.439 -0.378 19538 11783 1 20 . 1 1 109 109 VAL H H 109 9.181 9.181 8.227 0.954 19538 11784 1 20 . 1 1 110 110 PRO HA H 110 4.288 4.288 4.381 -0.093 19538 11785 1 20 . 1 1 110 110 PRO CA C 110 64.107 64.107 63.951 0.156 19538 11786 1 20 . 1 1 110 110 PRO CB C 110 31.557 31.557 32.257 -0.700 19538 11787 1 20 . 1 1 111 111 GLY N N 111 112.873 112.873 110.430 2.443 19538 11788 1 20 . 1 1 111 111 GLY CA C 111 44.872 44.872 45.406 -0.534 19538 11789 1 20 . 1 1 111 111 GLY H H 111 8.839 8.839 8.758 0.081 19538 11790 1 20 . 1 1 112 112 GLU N N 112 118.157 118.157 119.604 -1.447 19538 11791 1 20 . 1 1 112 112 GLU HA H 112 4.858 4.858 4.608 0.250 19538 11792 1 20 . 1 1 112 112 GLU CA C 112 52.732 52.732 54.662 -1.930 19538 11793 1 20 . 1 1 112 112 GLU CB C 112 31.513 31.513 32.248 -0.735 19538 11794 1 20 . 1 1 112 112 GLU H H 112 8.136 8.136 7.719 0.417 19538 11795 1 20 . 1 1 113 113 LYS N N 113 121.944 121.944 121.618 0.326 19538 11796 1 20 . 1 1 113 113 LYS HA H 113 4.208 4.208 4.316 -0.108 19538 11797 1 20 . 1 1 113 113 LYS CA C 113 55.810 55.810 56.341 -0.531 19538 11798 1 20 . 1 1 113 113 LYS CB C 113 32.157 32.157 32.903 -0.746 19538 11799 1 20 . 1 1 113 113 LYS H H 113 8.847 8.847 8.507 0.340 19538 11800 1 20 . 1 1 114 114 ARG N N 114 126.520 126.520 122.253 4.267 19538 11801 1 20 . 1 1 114 114 ARG HA H 114 4.064 4.064 4.421 -0.357 19538 11802 1 20 . 1 1 114 114 ARG CA C 114 57.914 57.914 56.224 1.690 19538 11803 1 20 . 1 1 114 114 ARG CB C 114 30.627 30.627 30.201 0.426 19538 11804 1 20 . 1 1 114 114 ARG H H 114 8.539 8.539 8.353 0.186 19538 11805 1 20 . 1 1 115 115 TYR N N 115 128.478 128.478 126.965 1.513 19538 11806 1 20 . 1 1 115 115 TYR HA H 115 4.671 4.671 4.821 -0.150 19538 11807 1 20 . 1 1 115 115 TYR CA C 115 56.519 56.519 56.863 -0.344 19538 11808 1 20 . 1 1 115 115 TYR CB C 115 40.193 40.193 41.535 -1.342 19538 11809 1 20 . 1 1 115 115 TYR H H 115 8.333 8.333 9.307 -0.974 19538 11810 1 20 . 1 1 116 116 TYR N N 116 127.101 127.101 127.948 -0.847 19538 11811 1 20 . 1 1 116 116 TYR HA H 116 4.553 4.553 4.703 -0.150 19538 11812 1 20 . 1 1 116 116 TYR CA C 116 58.502 58.502 57.932 0.570 19538 11813 1 20 . 1 1 116 116 TYR CB C 116 38.842 38.842 37.614 1.228 19538 11814 1 20 . 1 1 116 116 TYR H H 116 8.740 8.740 8.729 0.011 19538 11815 1 20 . 1 1 117 117 LEU N N 117 125.574 125.574 126.741 -1.167 19538 11816 1 20 . 1 1 117 117 LEU HA H 117 4.394 4.394 4.272 0.122 19538 11817 1 20 . 1 1 117 117 LEU CA C 117 57.384 57.384 56.825 0.559 19538 11818 1 20 . 1 1 117 117 LEU CB C 117 43.272 43.272 42.961 0.311 19538 11819 1 20 . 1 1 117 117 LEU H H 117 8.427 8.427 8.580 -0.153 19538 11820 1 20 . 1 1 118 118 ILE N N 118 118.478 118.478 118.797 -0.319 19538 11821 1 20 . 1 1 118 118 ILE HA H 118 4.199 4.199 4.253 -0.054 19538 11822 1 20 . 1 1 118 118 ILE CA C 118 60.074 60.074 60.310 -0.236 19538 11823 1 20 . 1 1 118 118 ILE CB C 118 40.895 40.895 40.066 0.829 19538 11824 1 20 . 1 1 118 118 ILE H H 118 7.983 7.983 8.053 -0.070 19538 11825 1 20 . 1 1 119 119 LYS N N 119 127.589 127.589 128.400 -0.811 19538 11826 1 20 . 1 1 119 119 LYS HA H 119 4.778 4.778 4.722 0.056 19538 11827 1 20 . 1 1 119 119 LYS CA C 119 53.232 53.232 52.640 0.592 19538 11828 1 20 . 1 1 119 119 LYS CB C 119 32.581 32.581 31.274 1.307 19538 11829 1 20 . 1 1 119 119 LYS H H 119 8.550 8.550 8.554 -0.004 19538 11830 1 20 . 1 1 120 120 PRO HA H 120 4.534 4.534 4.951 -0.417 19538 11831 1 20 . 1 1 120 120 PRO CA C 120 62.395 62.395 62.033 0.362 19538 11832 1 20 . 1 1 120 120 PRO CB C 120 32.059 32.059 32.678 -0.619 19538 11833 1 20 . 1 1 121 121 LYS N N 121 122.191 122.191 119.788 2.403 19538 11834 1 20 . 1 1 121 121 LYS HA H 121 4.136 4.136 4.044 0.092 19538 11835 1 20 . 1 1 121 121 LYS CA C 121 55.840 55.840 58.183 -2.343 19538 11836 1 20 . 1 1 121 121 LYS CB C 121 33.162 33.162 32.557 0.605 19538 11837 1 20 . 1 1 121 121 LYS H H 121 8.406 8.406 8.437 -0.031 19538 11838 1 20 . 1 1 122 122 LEU N N 122 122.972 122.972 117.698 5.274 19538 11839 1 20 . 1 1 122 122 LEU HA H 122 4.219 4.219 4.036 0.183 19538 11840 1 20 . 1 1 122 122 LEU CA C 122 54.494 54.494 55.944 -1.450 19538 11841 1 20 . 1 1 122 122 LEU CB C 122 41.990 41.990 41.634 0.356 19538 11842 1 20 . 1 1 122 122 LEU H H 122 8.158 8.158 8.033 0.125 19538 11843 1 20 . 1 1 123 123 HIS N N 123 121.608 121.608 113.606 8.002 19538 11844 1 20 . 1 1 123 123 HIS HA H 123 4.776 4.776 4.823 -0.047 19538 11845 1 20 . 1 1 123 123 HIS CA C 123 53.651 53.651 54.056 -0.405 19538 11846 1 20 . 1 1 123 123 HIS CB C 123 30.145 30.145 29.013 1.132 19538 11847 1 20 . 1 1 123 123 HIS H H 123 8.172 8.172 7.883 0.289 19538 11848 1 20 . 1 1 124 124 PRO HA H 124 4.085 4.085 4.210 -0.125 19538 11849 1 20 . 1 1 124 124 PRO CA C 124 62.119 62.119 64.852 -2.733 19538 11850 1 20 . 1 1 124 124 PRO CB C 124 33.900 33.900 32.255 1.645 19538 11851 1 20 . 1 1 125 125 VAL N N 125 120.758 120.758 113.788 6.970 19538 11852 1 20 . 1 1 125 125 VAL HA H 125 4.085 4.085 4.278 -0.193 19538 11853 1 20 . 1 1 125 125 VAL CA C 125 61.791 61.791 62.163 -0.372 19538 11854 1 20 . 1 1 125 125 VAL CB C 125 32.635 32.635 31.927 0.708 19538 11855 1 20 . 1 1 125 125 VAL H H 125 8.361 8.361 7.867 0.494 19538 11856 1 20 . 1 1 126 126 SER N N 126 119.450 119.450 119.073 0.377 19538 11857 1 20 . 1 1 126 126 SER HA H 126 4.417 4.417 4.500 -0.083 19538 11858 1 20 . 1 1 126 126 SER CA C 126 57.522 57.522 59.512 -1.990 19538 11859 1 20 . 1 1 126 126 SER CB C 126 63.634 63.634 63.606 0.028 19538 11860 1 20 . 1 1 126 126 SER H H 126 8.323 8.323 8.140 0.183 19538 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 116 2.978 -0.025 2.990 19538 2 1 1 "Average Difference" HA 132 0.308 0.014 0.309 19538 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19538 4 1 1 "Average Difference" CA 125 1.308 0.535 1.198 19538 5 1 1 "Average Difference" CB 118 1.292 -0.202 1.282 19538 6 1 1 "Average Difference" HN 116 0.555 0.108 0.547 19538 7 1 2 "Average Difference" N 116 2.805 0.091 2.816 19538 8 1 2 "Average Difference" HA 132 0.273 -0.006 0.274 19538 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19538 10 1 2 "Average Difference" CA 125 1.345 0.614 1.202 19538 11 1 2 "Average Difference" CB 118 1.295 -0.268 1.273 19538 12 1 2 "Average Difference" HN 116 0.571 0.090 0.566 19538 13 1 3 "Average Difference" N 116 2.778 0.063 2.789 19538 14 1 3 "Average Difference" HA 132 0.271 -0.008 0.272 19538 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19538 16 1 3 "Average Difference" CA 125 1.260 0.556 1.135 19538 17 1 3 "Average Difference" CB 118 1.231 -0.215 1.217 19538 18 1 3 "Average Difference" HN 116 0.562 0.127 0.550 19538 19 1 4 "Average Difference" N 116 3.256 -0.182 3.265 19538 20 1 4 "Average Difference" HA 132 0.307 -0.006 0.308 19538 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19538 22 1 4 "Average Difference" CA 125 1.273 0.525 1.165 19538 23 1 4 "Average Difference" CB 118 1.222 -0.202 1.210 19538 24 1 4 "Average Difference" HN 116 0.609 0.085 0.605 19538 25 1 5 "Average Difference" N 116 2.737 -0.005 2.748 19538 26 1 5 "Average Difference" HA 132 0.293 0.008 0.294 19538 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19538 28 1 5 "Average Difference" CA 125 1.336 0.530 1.232 19538 29 1 5 "Average Difference" CB 118 1.179 -0.234 1.160 19538 30 1 5 "Average Difference" HN 116 0.577 0.089 0.572 19538 31 1 6 "Average Difference" N 116 2.997 -0.249 3.000 19538 32 1 6 "Average Difference" HA 132 0.305 0.010 0.306 19538 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19538 34 1 6 "Average Difference" CA 125 1.399 0.638 1.251 19538 35 1 6 "Average Difference" CB 118 1.254 -0.202 1.243 19538 36 1 6 "Average Difference" HN 116 0.584 0.100 0.578 19538 37 1 7 "Average Difference" N 116 2.704 0.168 2.711 19538 38 1 7 "Average Difference" HA 132 0.309 0.004 0.310 19538 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19538 40 1 7 "Average Difference" CA 125 1.363 0.581 1.238 19538 41 1 7 "Average Difference" CB 118 1.196 -0.128 1.194 19538 42 1 7 "Average Difference" HN 116 0.599 0.145 0.584 19538 43 1 8 "Average Difference" N 116 2.971 0.139 2.981 19538 44 1 8 "Average Difference" HA 132 0.271 0.001 0.272 19538 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19538 46 1 8 "Average Difference" CA 125 1.402 0.576 1.283 19538 47 1 8 "Average Difference" CB 118 1.296 -0.300 1.266 19538 48 1 8 "Average Difference" HN 116 0.589 0.109 0.582 19538 49 1 9 "Average Difference" N 116 2.794 0.281 2.792 19538 50 1 9 "Average Difference" HA 132 0.279 0.006 0.280 19538 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19538 52 1 9 "Average Difference" CA 125 1.265 0.561 1.139 19538 53 1 9 "Average Difference" CB 118 1.308 -0.238 1.291 19538 54 1 9 "Average Difference" HN 116 0.572 0.198 0.538 19538 55 1 10 "Average Difference" N 116 2.948 -0.176 2.956 19538 56 1 10 "Average Difference" HA 132 0.294 -0.003 0.295 19538 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19538 58 1 10 "Average Difference" CA 125 1.336 0.679 1.155 19538 59 1 10 "Average Difference" CB 118 1.229 -0.112 1.229 19538 60 1 10 "Average Difference" HN 116 0.608 0.115 0.600 19538 61 1 11 "Average Difference" N 116 3.253 -0.052 3.267 19538 62 1 11 "Average Difference" HA 132 0.281 0.008 0.282 19538 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19538 64 1 11 "Average Difference" CA 125 1.301 0.590 1.164 19538 65 1 11 "Average Difference" CB 118 1.286 -0.179 1.279 19538 66 1 11 "Average Difference" HN 116 0.554 0.086 0.550 19538 67 1 12 "Average Difference" N 116 2.822 0.148 2.831 19538 68 1 12 "Average Difference" HA 132 0.330 0.018 0.331 19538 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19538 70 1 12 "Average Difference" CA 125 1.375 0.536 1.272 19538 71 1 12 "Average Difference" CB 118 1.290 -0.283 1.264 19538 72 1 12 "Average Difference" HN 116 0.558 0.135 0.544 19538 73 1 13 "Average Difference" N 116 2.913 0.081 2.924 19538 74 1 13 "Average Difference" HA 132 0.299 -0.010 0.300 19538 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19538 76 1 13 "Average Difference" CA 125 1.208 0.483 1.112 19538 77 1 13 "Average Difference" CB 118 1.284 -0.276 1.259 19538 78 1 13 "Average Difference" HN 116 0.549 0.101 0.542 19538 79 1 14 "Average Difference" N 116 2.859 -0.061 2.870 19538 80 1 14 "Average Difference" HA 132 0.327 -0.007 0.328 19538 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19538 82 1 14 "Average Difference" CA 125 1.437 0.643 1.290 19538 83 1 14 "Average Difference" CB 118 1.250 -0.197 1.239 19538 84 1 14 "Average Difference" HN 116 0.555 0.095 0.549 19538 85 1 15 "Average Difference" N 116 3.111 -0.128 3.122 19538 86 1 15 "Average Difference" HA 132 0.294 0.008 0.295 19538 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19538 88 1 15 "Average Difference" CA 125 1.277 0.539 1.163 19538 89 1 15 "Average Difference" CB 118 1.291 -0.178 1.284 19538 90 1 15 "Average Difference" HN 116 0.567 0.091 0.562 19538 91 1 16 "Average Difference" N 116 2.979 0.005 2.992 19538 92 1 16 "Average Difference" HA 132 0.310 0.002 0.311 19538 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19538 94 1 16 "Average Difference" CA 125 1.322 0.596 1.185 19538 95 1 16 "Average Difference" CB 118 1.290 -0.235 1.274 19538 96 1 16 "Average Difference" HN 116 0.554 0.147 0.536 19538 97 1 17 "Average Difference" N 116 3.115 -0.048 3.128 19538 98 1 17 "Average Difference" HA 132 0.286 0.015 0.287 19538 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19538 100 1 17 "Average Difference" CA 125 1.300 0.607 1.155 19538 101 1 17 "Average Difference" CB 118 1.343 -0.216 1.331 19538 102 1 17 "Average Difference" HN 116 0.542 0.142 0.525 19538 103 1 18 "Average Difference" N 116 2.885 0.117 2.895 19538 104 1 18 "Average Difference" HA 132 0.289 -0.004 0.290 19538 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19538 106 1 18 "Average Difference" CA 125 1.310 0.601 1.169 19538 107 1 18 "Average Difference" CB 118 1.262 -0.094 1.264 19538 108 1 18 "Average Difference" HN 116 0.541 0.125 0.528 19538 109 1 19 "Average Difference" N 116 3.028 -0.199 3.034 19538 110 1 19 "Average Difference" HA 132 0.299 0.001 0.301 19538 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19538 112 1 19 "Average Difference" CA 125 1.422 0.626 1.281 19538 113 1 19 "Average Difference" CB 118 1.214 -0.153 1.210 19538 114 1 19 "Average Difference" HN 116 0.576 0.099 0.569 19538 115 1 20 "Average Difference" N 116 3.231 -0.173 3.240 19538 116 1 20 "Average Difference" HA 132 0.277 0.029 0.276 19538 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19538 118 1 20 "Average Difference" CA 125 1.297 0.574 1.168 19538 119 1 20 "Average Difference" CB 118 1.205 -0.135 1.202 19538 120 1 20 "Average Difference" HN 116 0.558 0.104 0.551 19538 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 19538 _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 ALA N N 2 122.815 122.815 124.460 -1.645 19538 2 1 . 1 1 2 2 ALA HA H 2 4.293 4.293 4.359 -0.066 19538 3 1 . 1 1 2 2 ALA CA C 2 52.085 52.085 52.689 -0.604 19538 4 1 . 1 1 2 2 ALA CB C 2 19.067 19.067 18.337 0.730 19538 5 1 . 1 1 2 2 ALA H H 2 8.102 8.102 8.453 -0.351 19538 6 1 . 1 1 3 3 MET N N 3 119.897 119.897 119.543 0.354 19538 7 1 . 1 1 3 3 MET HA H 3 4.401 4.401 4.261 0.140 19538 8 1 . 1 1 3 3 MET CA C 3 55.339 55.339 56.015 -0.676 19538 9 1 . 1 1 3 3 MET CB C 3 32.938 32.938 31.342 1.596 19538 10 1 . 1 1 3 3 MET H H 3 8.501 8.501 8.348 0.153 19538 11 1 . 1 1 4 4 GLY N N 4 110.174 110.174 108.208 1.966 19538 12 1 . 1 1 4 4 GLY CA C 4 44.706 44.706 45.283 -0.577 19538 13 1 . 1 1 4 4 GLY H H 4 8.498 8.498 8.594 -0.096 19538 14 1 . 1 1 5 5 SER HA H 5 4.368 4.368 4.342 0.026 19538 15 1 . 1 1 5 5 SER CA C 5 58.467 58.467 58.839 -0.372 19538 16 1 . 1 1 5 5 SER CB C 5 63.530 63.530 62.387 1.143 19538 17 1 . 1 1 6 6 GLY CA C 6 45.983 45.983 47.671 -1.688 19538 18 1 . 1 1 7 7 ASP N N 7 122.649 122.649 120.763 1.886 19538 19 1 . 1 1 7 7 ASP HA H 7 4.375 4.375 4.531 -0.156 19538 20 1 . 1 1 7 7 ASP CA C 7 56.523 56.523 57.293 -0.770 19538 21 1 . 1 1 7 7 ASP CB C 7 40.235 40.235 39.590 0.645 19538 22 1 . 1 1 7 7 ASP H H 7 8.457 8.457 8.410 0.047 19538 23 1 . 1 1 8 8 THR N N 8 116.751 116.751 117.147 -0.396 19538 24 1 . 1 1 8 8 THR HA H 8 3.853 3.853 4.029 -0.176 19538 25 1 . 1 1 8 8 THR CA C 8 66.104 66.104 67.074 -0.970 19538 26 1 . 1 1 8 8 THR CB C 8 68.047 68.047 68.460 -0.413 19538 27 1 . 1 1 8 8 THR H H 8 8.128 8.128 8.091 0.037 19538 28 1 . 1 1 9 9 GLN N N 9 120.186 120.186 121.379 -1.193 19538 29 1 . 1 1 9 9 GLN HA H 9 4.038 4.038 4.145 -0.107 19538 30 1 . 1 1 9 9 GLN CA C 9 58.699 58.699 59.399 -0.699 19538 31 1 . 1 1 9 9 GLN CB C 9 28.100 28.100 28.668 -0.568 19538 32 1 . 1 1 9 9 GLN H H 9 7.831 7.831 8.871 -1.040 19538 33 1 . 1 1 10 10 LEU N N 10 120.735 120.735 120.424 0.311 19538 34 1 . 1 1 10 10 LEU HA H 10 3.917 3.917 4.163 -0.246 19538 35 1 . 1 1 10 10 LEU CA C 10 58.126 58.126 58.305 -0.179 19538 36 1 . 1 1 10 10 LEU CB C 10 41.935 41.935 41.669 0.266 19538 37 1 . 1 1 10 10 LEU H H 10 7.670 7.670 8.996 -1.326 19538 38 1 . 1 1 11 11 PHE N N 11 117.802 117.802 120.940 -3.138 19538 39 1 . 1 1 11 11 PHE HA H 11 3.821 3.821 3.875 -0.054 19538 40 1 . 1 1 11 11 PHE CA C 11 60.224 60.224 61.926 -1.702 19538 41 1 . 1 1 11 11 PHE CB C 11 38.798 38.798 38.875 -0.077 19538 42 1 . 1 1 11 11 PHE H H 11 7.939 7.939 9.271 -1.332 19538 43 1 . 1 1 12 12 ASN N N 12 117.152 117.152 118.170 -1.018 19538 44 1 . 1 1 12 12 ASN HA H 12 3.868 3.868 4.122 -0.254 19538 45 1 . 1 1 12 12 ASN CA C 12 55.410 55.410 56.572 -1.162 19538 46 1 . 1 1 12 12 ASN CB C 12 37.188 37.188 37.960 -0.772 19538 47 1 . 1 1 12 12 ASN H H 12 8.562 8.562 8.659 -0.097 19538 48 1 . 1 1 13 13 ARG N N 13 119.825 119.825 120.982 -1.157 19538 49 1 . 1 1 13 13 ARG HA H 13 3.914 3.914 4.038 -0.124 19538 50 1 . 1 1 13 13 ARG CA C 13 58.623 58.623 59.578 -0.955 19538 51 1 . 1 1 13 13 ARG CB C 13 31.719 31.719 30.287 1.432 19538 52 1 . 1 1 13 13 ARG H H 13 8.006 8.006 8.641 -0.635 19538 53 1 . 1 1 14 14 ALA N N 14 122.749 122.749 122.827 -0.078 19538 54 1 . 1 1 14 14 ALA HA H 14 3.938 3.938 3.976 -0.037 19538 55 1 . 1 1 14 14 ALA CA C 14 54.976 54.976 55.051 -0.075 19538 56 1 . 1 1 14 14 ALA CB C 14 19.446 19.446 18.613 0.833 19538 57 1 . 1 1 14 14 ALA H H 14 8.163 8.163 8.670 -0.507 19538 58 1 . 1 1 15 15 VAL N N 15 118.460 118.460 118.763 -0.303 19538 59 1 . 1 1 15 15 VAL HA H 15 3.219 3.219 3.599 -0.380 19538 60 1 . 1 1 15 15 VAL CA C 15 66.611 66.611 65.797 0.814 19538 61 1 . 1 1 15 15 VAL CB C 15 30.889 30.889 30.977 -0.088 19538 62 1 . 1 1 15 15 VAL H H 15 8.718 8.718 8.472 0.246 19538 63 1 . 1 1 16 16 SER N N 16 113.102 113.102 115.868 -2.766 19538 64 1 . 1 1 16 16 SER HA H 16 4.144 4.144 4.083 0.061 19538 65 1 . 1 1 16 16 SER CA C 16 60.888 60.888 61.889 -1.001 19538 66 1 . 1 1 16 16 SER CB C 16 62.503 62.503 62.763 -0.260 19538 67 1 . 1 1 16 16 SER H H 16 7.243 7.243 8.064 -0.821 19538 68 1 . 1 1 17 17 MET N N 17 117.447 117.447 120.338 -2.891 19538 69 1 . 1 1 17 17 MET HA H 17 3.875 3.875 4.092 -0.217 19538 70 1 . 1 1 17 17 MET CA C 17 58.575 58.575 58.887 -0.312 19538 71 1 . 1 1 17 17 MET CB C 17 33.489 33.489 32.796 0.693 19538 72 1 . 1 1 17 17 MET H H 17 7.232 7.232 7.754 -0.522 19538 73 1 . 1 1 18 18 VAL N N 18 117.842 117.842 115.071 2.771 19538 74 1 . 1 1 18 18 VAL HA H 18 3.357 3.357 3.804 -0.447 19538 75 1 . 1 1 18 18 VAL CA C 18 66.065 66.065 65.563 0.502 19538 76 1 . 1 1 18 18 VAL CB C 18 31.686 31.686 31.233 0.453 19538 77 1 . 1 1 18 18 VAL H H 18 7.678 7.678 8.028 -0.350 19538 78 1 . 1 1 19 19 GLU N N 19 113.150 113.150 119.615 -6.465 19538 79 1 . 1 1 19 19 GLU HA H 19 3.618 3.618 3.987 -0.369 19538 80 1 . 1 1 19 19 GLU CA C 19 58.198 58.198 59.434 -1.236 19538 81 1 . 1 1 19 19 GLU CB C 19 29.786 29.786 29.706 0.080 19538 82 1 . 1 1 19 19 GLU H H 19 8.378 8.378 8.443 -0.065 19538 83 1 . 1 1 20 20 LYS N N 20 114.076 114.076 113.934 0.142 19538 84 1 . 1 1 20 20 LYS HA H 20 4.243 4.243 4.368 -0.125 19538 85 1 . 1 1 20 20 LYS CA C 20 55.725 55.725 54.716 1.009 19538 86 1 . 1 1 20 20 LYS CB C 20 33.032 33.032 32.423 0.609 19538 87 1 . 1 1 20 20 LYS H H 20 7.072 7.072 7.646 -0.574 19538 88 1 . 1 1 21 21 ASN N N 21 121.025 121.025 121.084 -0.059 19538 89 1 . 1 1 21 21 ASN HA H 21 4.555 4.555 4.519 0.036 19538 90 1 . 1 1 21 21 ASN CA C 21 53.766 53.766 52.929 0.837 19538 91 1 . 1 1 21 21 ASN CB C 21 39.835 39.835 39.061 0.774 19538 92 1 . 1 1 21 21 ASN H H 21 7.230 7.230 7.552 -0.322 19538 93 1 . 1 1 22 22 LYS N N 22 128.112 128.112 127.547 0.566 19538 94 1 . 1 1 22 22 LYS HA H 22 3.698 3.698 3.882 -0.184 19538 95 1 . 1 1 22 22 LYS CA C 22 59.519 59.519 59.779 -0.261 19538 96 1 . 1 1 22 22 LYS CB C 22 32.140 32.140 31.409 0.731 19538 97 1 . 1 1 22 22 LYS H H 22 8.846 8.846 8.738 0.108 19538 98 1 . 1 1 23 23 ASP N N 23 120.250 120.250 120.487 -0.237 19538 99 1 . 1 1 23 23 ASP HA H 23 4.297 4.297 4.382 -0.085 19538 100 1 . 1 1 23 23 ASP CA C 23 56.787 56.787 57.143 -0.356 19538 101 1 . 1 1 23 23 ASP CB C 23 39.444 39.444 40.344 -0.900 19538 102 1 . 1 1 23 23 ASP H H 23 7.731 7.731 8.107 -0.376 19538 103 1 . 1 1 24 24 ILE N N 24 121.988 121.988 120.898 1.090 19538 104 1 . 1 1 24 24 ILE HA H 24 3.219 3.219 3.342 -0.123 19538 105 1 . 1 1 24 24 ILE CA C 24 63.375 63.375 65.433 -2.058 19538 106 1 . 1 1 24 24 ILE CB C 24 35.424 35.424 37.644 -2.220 19538 107 1 . 1 1 24 24 ILE H H 24 8.431 8.431 7.958 0.473 19538 108 1 . 1 1 25 25 ARG N N 25 118.181 118.181 120.229 -2.048 19538 109 1 . 1 1 25 25 ARG HA H 25 3.810 3.810 3.863 -0.053 19538 110 1 . 1 1 25 25 ARG CA C 25 60.546 60.546 60.443 0.103 19538 111 1 . 1 1 25 25 ARG CB C 25 30.205 30.205 29.916 0.289 19538 112 1 . 1 1 25 25 ARG H H 25 8.206 8.206 8.861 -0.655 19538 113 1 . 1 1 26 26 SER N N 26 112.549 112.549 115.985 -3.436 19538 114 1 . 1 1 26 26 SER HA H 26 4.373 4.373 4.169 0.204 19538 115 1 . 1 1 26 26 SER CA C 26 61.040 61.040 62.195 -1.155 19538 116 1 . 1 1 26 26 SER CB C 26 62.096 62.096 62.855 -0.759 19538 117 1 . 1 1 26 26 SER H H 26 7.518 7.518 8.156 -0.638 19538 118 1 . 1 1 27 27 LEU N N 27 125.275 125.275 122.245 3.030 19538 119 1 . 1 1 27 27 LEU HA H 27 4.013 4.013 4.046 -0.034 19538 120 1 . 1 1 27 27 LEU CA C 27 57.652 57.652 57.606 0.046 19538 121 1 . 1 1 27 27 LEU CB C 27 42.548 42.548 42.046 0.502 19538 122 1 . 1 1 27 27 LEU H H 27 8.050 8.050 7.902 0.148 19538 123 1 . 1 1 28 28 LEU N N 28 114.725 114.725 113.977 0.748 19538 124 1 . 1 1 28 28 LEU HA H 28 3.863 3.863 4.239 -0.376 19538 125 1 . 1 1 28 28 LEU CA C 28 54.299 54.299 54.871 -0.572 19538 126 1 . 1 1 28 28 LEU CB C 28 42.874 42.874 41.760 1.114 19538 127 1 . 1 1 28 28 LEU H H 28 8.010 8.010 8.475 -0.465 19538 128 1 . 1 1 29 29 GLN N N 29 116.444 116.444 114.111 2.333 19538 129 1 . 1 1 29 29 GLN HA H 29 3.854 3.854 3.959 -0.105 19538 130 1 . 1 1 29 29 GLN CA C 29 55.652 55.652 56.561 -0.909 19538 131 1 . 1 1 29 29 GLN CB C 29 25.300 25.300 25.366 -0.066 19538 132 1 . 1 1 29 29 GLN H H 29 7.972 7.972 7.988 -0.016 19538 133 1 . 1 1 30 30 CYS N N 30 116.363 116.363 120.085 -3.722 19538 134 1 . 1 1 30 30 CYS HA H 30 4.133 4.133 4.154 -0.021 19538 135 1 . 1 1 30 30 CYS CA C 30 61.559 61.559 60.265 1.294 19538 136 1 . 1 1 30 30 CYS CB C 30 27.701 27.701 25.715 1.986 19538 137 1 . 1 1 30 30 CYS H H 30 7.847 7.847 8.813 -0.966 19538 138 1 . 1 1 31 31 ASP N N 31 125.091 125.091 124.536 0.555 19538 139 1 . 1 1 31 31 ASP HA H 31 4.598 4.598 4.653 -0.055 19538 140 1 . 1 1 31 31 ASP CA C 31 52.428 52.428 54.432 -2.004 19538 141 1 . 1 1 31 31 ASP CB C 31 39.156 39.156 41.648 -2.492 19538 142 1 . 1 1 31 31 ASP H H 31 9.918 9.918 8.649 1.269 19538 143 1 . 1 1 32 32 ASP N N 32 124.593 124.593 120.942 3.651 19538 144 1 . 1 1 32 32 ASP HA H 32 5.131 5.131 4.567 0.564 19538 145 1 . 1 1 32 32 ASP CA C 32 52.190 52.190 54.966 -2.776 19538 146 1 . 1 1 32 32 ASP CB C 32 41.542 41.542 41.106 0.436 19538 147 1 . 1 1 32 32 ASP H H 32 7.532 7.532 8.247 -0.715 19538 148 1 . 1 1 33 33 GLY N N 33 109.888 109.888 111.074 -1.186 19538 149 1 . 1 1 33 33 GLY CA C 33 44.840 44.840 45.755 -0.915 19538 150 1 . 1 1 33 33 GLY H H 33 7.912 7.912 8.811 -0.899 19538 151 1 . 1 1 34 34 ILE HA H 34 3.978 3.978 3.993 -0.015 19538 152 1 . 1 1 34 34 ILE CA C 34 63.210 63.210 63.596 -0.386 19538 153 1 . 1 1 34 34 ILE CB C 34 38.027 38.027 38.553 -0.526 19538 154 1 . 1 1 35 35 THR N N 35 109.823 109.823 112.204 -2.381 19538 155 1 . 1 1 35 35 THR HA H 35 4.291 4.291 4.431 -0.140 19538 156 1 . 1 1 35 35 THR CA C 35 61.511 61.511 61.066 0.445 19538 157 1 . 1 1 35 35 THR CB C 35 68.374 68.374 68.542 -0.168 19538 158 1 . 1 1 35 35 THR H H 35 7.995 7.995 7.999 -0.004 19538 159 1 . 1 1 36 36 GLY N N 36 109.916 109.916 110.270 -0.354 19538 160 1 . 1 1 36 36 GLY CA C 36 44.282 44.282 44.876 -0.594 19538 161 1 . 1 1 36 36 GLY H H 36 7.564 7.564 7.548 0.016 19538 162 1 . 1 1 37 37 LYS N N 37 119.833 119.833 122.197 -2.364 19538 163 1 . 1 1 37 37 LYS HA H 37 4.442 4.442 4.713 -0.271 19538 164 1 . 1 1 37 37 LYS CA C 37 54.520 54.520 55.388 -0.868 19538 165 1 . 1 1 37 37 LYS CB C 37 33.208 33.208 33.717 -0.509 19538 166 1 . 1 1 37 37 LYS H H 37 8.236 8.236 8.333 -0.097 19538 167 1 . 1 1 38 38 GLU N N 38 125.697 125.697 124.238 1.459 19538 168 1 . 1 1 38 38 GLU HA H 38 3.907 3.907 4.426 -0.519 19538 169 1 . 1 1 38 38 GLU CA C 38 56.731 56.731 55.490 1.241 19538 170 1 . 1 1 38 38 GLU CB C 38 29.779 29.779 31.643 -1.864 19538 171 1 . 1 1 38 38 GLU H H 38 8.175 8.175 8.638 -0.463 19538 172 1 . 1 1 39 39 ARG N N 39 128.738 128.738 122.102 6.636 19538 173 1 . 1 1 39 39 ARG HA H 39 4.260 4.260 4.484 -0.224 19538 174 1 . 1 1 39 39 ARG CA C 39 55.343 55.343 55.074 0.269 19538 175 1 . 1 1 39 39 ARG CB C 39 29.529 29.529 30.523 -0.994 19538 176 1 . 1 1 39 39 ARG H H 39 8.920 8.920 8.548 0.372 19538 177 1 . 1 1 40 40 LEU N N 40 127.659 127.659 125.063 2.596 19538 178 1 . 1 1 40 40 LEU HA H 40 4.488 4.488 4.615 -0.127 19538 179 1 . 1 1 40 40 LEU CA C 40 53.848 53.848 55.078 -1.230 19538 180 1 . 1 1 40 40 LEU CB C 40 42.333 42.333 42.754 -0.421 19538 181 1 . 1 1 40 40 LEU H H 40 8.670 8.670 8.502 0.168 19538 182 1 . 1 1 41 41 LYS N N 41 121.136 121.136 122.991 -1.855 19538 183 1 . 1 1 41 41 LYS HA H 41 4.647 4.647 4.722 -0.075 19538 184 1 . 1 1 41 41 LYS CA C 41 55.062 55.062 54.843 0.219 19538 185 1 . 1 1 41 41 LYS CB C 41 35.064 35.064 36.398 -1.334 19538 186 1 . 1 1 41 41 LYS H H 41 8.273 8.273 8.434 -0.161 19538 187 1 . 1 1 42 42 ALA N N 42 123.758 123.758 125.200 -1.442 19538 188 1 . 1 1 42 42 ALA HA H 42 5.605 5.605 5.314 0.291 19538 189 1 . 1 1 42 42 ALA CA C 42 50.529 50.529 51.103 -0.574 19538 190 1 . 1 1 42 42 ALA CB C 42 22.577 22.577 22.043 0.534 19538 191 1 . 1 1 42 42 ALA H H 42 8.488 8.488 8.514 -0.026 19538 192 1 . 1 1 43 43 TYR N N 43 116.716 116.716 119.533 -2.817 19538 193 1 . 1 1 43 43 TYR HA H 43 4.758 4.758 4.841 -0.083 19538 194 1 . 1 1 43 43 TYR CA C 43 55.975 55.975 55.984 -0.009 19538 195 1 . 1 1 43 43 TYR CB C 43 38.409 38.409 39.686 -1.277 19538 196 1 . 1 1 43 43 TYR H H 43 8.123 8.123 9.120 -0.997 19538 197 1 . 1 1 44 44 GLY N N 44 106.591 106.591 106.983 -0.392 19538 198 1 . 1 1 44 44 GLY CA C 44 45.172 45.172 44.965 0.207 19538 199 1 . 1 1 44 44 GLY H H 44 8.663 8.663 8.740 -0.077 19538 200 1 . 1 1 45 45 GLU N N 45 118.850 118.850 121.647 -2.797 19538 201 1 . 1 1 45 45 GLU HA H 45 4.310 4.310 3.946 0.364 19538 202 1 . 1 1 45 45 GLU CA C 45 56.286 56.286 57.483 -1.197 19538 203 1 . 1 1 45 45 GLU CB C 45 31.304 31.304 29.726 1.578 19538 204 1 . 1 1 45 45 GLU H H 45 8.287 8.287 8.398 -0.111 19538 205 1 . 1 1 46 46 LEU N N 46 124.692 124.692 123.767 0.925 19538 206 1 . 1 1 46 46 LEU HA H 46 4.361 4.361 4.183 0.178 19538 207 1 . 1 1 46 46 LEU CA C 46 54.967 54.967 57.323 -2.356 19538 208 1 . 1 1 46 46 LEU CB C 46 41.980 41.980 41.985 -0.005 19538 209 1 . 1 1 46 46 LEU H H 46 9.010 9.010 8.250 0.760 19538 210 1 . 1 1 47 47 ILE N N 47 123.302 123.302 114.249 9.053 19538 211 1 . 1 1 47 47 ILE HA H 47 4.272 4.272 3.972 0.300 19538 212 1 . 1 1 47 47 ILE CA C 47 60.399 60.399 62.385 -1.986 19538 213 1 . 1 1 47 47 ILE CB C 47 38.676 38.676 37.267 1.409 19538 214 1 . 1 1 47 47 ILE H H 47 8.407 8.407 7.951 0.456 19538 215 1 . 1 1 48 48 THR N N 48 117.749 117.749 114.920 2.829 19538 216 1 . 1 1 48 48 THR HA H 48 4.330 4.330 4.035 0.295 19538 217 1 . 1 1 48 48 THR CA C 48 61.234 61.234 65.024 -3.790 19538 218 1 . 1 1 48 48 THR CB C 48 69.327 69.327 68.742 0.585 19538 219 1 . 1 1 48 48 THR H H 48 8.183 8.183 7.769 0.414 19538 220 1 . 1 1 49 49 ASN N N 49 120.102 120.102 118.076 2.026 19538 221 1 . 1 1 49 49 ASN HA H 49 4.585 4.585 4.616 -0.031 19538 222 1 . 1 1 49 49 ASN CA C 49 53.193 53.193 53.910 -0.717 19538 223 1 . 1 1 49 49 ASN CB C 49 38.261 38.261 38.746 -0.485 19538 224 1 . 1 1 49 49 ASN H H 49 8.418 8.418 8.186 0.232 19538 225 1 . 1 1 50 50 ASP N N 50 119.783 119.783 120.002 -0.219 19538 226 1 . 1 1 50 50 ASP HA H 50 4.454 4.454 4.365 0.089 19538 227 1 . 1 1 50 50 ASP CA C 50 53.950 53.950 56.244 -2.294 19538 228 1 . 1 1 50 50 ASP CB C 50 41.231 41.231 40.929 0.302 19538 229 1 . 1 1 50 50 ASP H H 50 8.096 8.096 8.073 0.023 19538 230 1 . 1 1 51 51 LYS N N 51 120.547 120.547 118.809 1.737 19538 231 1 . 1 1 51 51 LYS HA H 51 4.017 4.017 4.148 -0.131 19538 232 1 . 1 1 51 51 LYS CA C 51 56.633 56.633 57.321 -0.688 19538 233 1 . 1 1 51 51 LYS CB C 51 32.052 32.052 32.889 -0.837 19538 234 1 . 1 1 51 51 LYS H H 51 8.173 8.173 7.785 0.388 19538 235 1 . 1 1 52 52 TRP N N 52 120.062 120.062 118.165 1.897 19538 236 1 . 1 1 52 52 TRP HA H 52 4.617 4.617 4.882 -0.265 19538 237 1 . 1 1 52 52 TRP CA C 52 57.045 57.045 58.053 -1.008 19538 238 1 . 1 1 52 52 TRP CB C 52 29.251 29.251 30.278 -1.027 19538 239 1 . 1 1 52 52 TRP H H 52 8.094 8.094 8.144 -0.050 19538 240 1 . 1 1 53 53 THR N N 53 115.770 115.770 112.137 3.633 19538 241 1 . 1 1 53 53 THR HA H 53 4.262 4.262 4.307 -0.045 19538 242 1 . 1 1 53 53 THR CA C 53 61.625 61.625 62.912 -1.287 19538 243 1 . 1 1 53 53 THR CB C 53 69.153 69.153 68.621 0.532 19538 244 1 . 1 1 53 53 THR H H 53 7.789 7.789 8.087 -0.298 19538 245 1 . 1 1 54 54 ARG N N 54 122.136 122.136 120.711 1.425 19538 246 1 . 1 1 54 54 ARG HA H 54 4.133 4.133 4.009 0.124 19538 247 1 . 1 1 54 54 ARG CA C 54 56.038 56.038 58.162 -2.124 19538 248 1 . 1 1 54 54 ARG CB C 54 30.441 30.441 29.230 1.211 19538 249 1 . 1 1 54 54 ARG H H 54 8.191 8.191 8.249 -0.058 19538 250 1 . 1 1 55 55 ASN N N 55 117.842 117.842 117.130 0.712 19538 251 1 . 1 1 55 55 ASN HA H 55 4.713 4.713 4.560 0.153 19538 252 1 . 1 1 55 55 ASN CA C 55 52.873 52.873 54.090 -1.217 19538 253 1 . 1 1 55 55 ASN CB C 55 38.769 38.769 38.668 0.101 19538 254 1 . 1 1 55 55 ASN H H 55 8.205 8.205 8.554 -0.349 19538 255 1 . 1 1 56 56 ARG N N 56 121.615 121.615 120.235 1.380 19538 256 1 . 1 1 56 56 ARG HA H 56 4.542 4.542 4.618 -0.076 19538 257 1 . 1 1 56 56 ARG CA C 56 53.765 53.765 53.905 -0.140 19538 258 1 . 1 1 56 56 ARG CB C 56 30.009 30.009 29.989 0.020 19538 259 1 . 1 1 56 56 ARG H H 56 8.246 8.246 8.207 0.039 19538 260 1 . 1 1 57 57 PRO HA H 57 4.273 4.273 4.573 -0.300 19538 261 1 . 1 1 57 57 PRO CA C 57 62.424 62.424 61.689 0.735 19538 262 1 . 1 1 57 57 PRO CB C 57 31.987 31.987 32.708 -0.721 19538 263 1 . 1 1 58 58 ILE N N 58 122.700 122.700 120.588 2.112 19538 264 1 . 1 1 58 58 ILE HA H 58 4.089 4.089 3.971 0.118 19538 265 1 . 1 1 58 58 ILE CA C 58 60.655 60.655 62.458 -1.803 19538 266 1 . 1 1 58 58 ILE CB C 58 37.111 37.111 35.825 1.286 19538 267 1 . 1 1 58 58 ILE H H 58 8.098 8.098 8.278 -0.180 19538 268 1 . 1 1 59 59 VAL N N 59 124.097 124.097 119.284 4.813 19538 269 1 . 1 1 59 59 VAL HA H 59 4.549 4.549 4.719 -0.170 19538 270 1 . 1 1 59 59 VAL CA C 59 59.613 59.613 59.338 0.275 19538 271 1 . 1 1 59 59 VAL CB C 59 34.980 34.980 35.376 -0.396 19538 272 1 . 1 1 59 59 VAL H H 59 8.167 8.167 8.199 -0.032 19538 273 1 . 1 1 60 60 SER N N 60 119.752 119.752 117.409 2.343 19538 274 1 . 1 1 60 60 SER HA H 60 5.136 5.136 5.264 -0.128 19538 275 1 . 1 1 60 60 SER CA C 60 56.467 56.467 56.802 -0.335 19538 276 1 . 1 1 60 60 SER CB C 60 64.890 64.890 64.397 0.493 19538 277 1 . 1 1 60 60 SER H H 60 8.592 8.592 8.751 -0.159 19538 278 1 . 1 1 61 61 THR N N 61 117.559 117.559 117.701 -0.142 19538 279 1 . 1 1 61 61 THR HA H 61 4.576 4.576 4.266 0.309 19538 280 1 . 1 1 61 61 THR CA C 61 61.348 61.348 62.121 -0.773 19538 281 1 . 1 1 61 61 THR CB C 61 70.276 70.276 69.300 0.976 19538 282 1 . 1 1 61 61 THR H H 61 9.214 9.214 8.931 0.283 19538 283 1 . 1 1 62 62 LYS N N 62 123.743 123.743 126.261 -2.518 19538 284 1 . 1 1 62 62 LYS HA H 62 5.507 5.507 4.576 0.931 19538 285 1 . 1 1 62 62 LYS CA C 62 54.843 54.843 55.795 -0.952 19538 286 1 . 1 1 62 62 LYS CB C 62 35.211 35.211 32.313 2.898 19538 287 1 . 1 1 62 62 LYS H H 62 8.687 8.687 8.331 0.356 19538 288 1 . 1 1 63 63 LYS N N 63 121.218 121.218 124.994 -3.776 19538 289 1 . 1 1 63 63 LYS HA H 63 4.595 4.595 4.614 -0.019 19538 290 1 . 1 1 63 63 LYS CA C 63 54.760 54.760 55.087 -0.327 19538 291 1 . 1 1 63 63 LYS CB C 63 36.712 36.712 35.342 1.370 19538 292 1 . 1 1 63 63 LYS H H 63 8.797 8.797 8.817 -0.020 19538 293 1 . 1 1 64 64 LEU N N 64 124.605 124.605 127.058 -2.453 19538 294 1 . 1 1 64 64 LEU HA H 64 4.920 4.920 4.806 0.114 19538 295 1 . 1 1 64 64 LEU CA C 64 53.797 53.797 53.831 -0.034 19538 296 1 . 1 1 64 64 LEU CB C 64 43.553 43.553 42.583 0.970 19538 297 1 . 1 1 64 64 LEU H H 64 8.604 8.604 8.697 -0.093 19538 298 1 . 1 1 65 65 ASP N N 65 122.577 122.577 126.267 -3.690 19538 299 1 . 1 1 65 65 ASP HA H 65 4.664 4.664 4.958 -0.294 19538 300 1 . 1 1 65 65 ASP CA C 65 51.824 51.824 53.047 -1.223 19538 301 1 . 1 1 65 65 ASP CB C 65 41.277 41.277 43.161 -1.884 19538 302 1 . 1 1 65 65 ASP H H 65 8.455 8.455 8.372 0.083 19538 303 1 . 1 1 66 66 LYS N N 66 117.718 117.718 120.295 -2.577 19538 304 1 . 1 1 66 66 LYS HA H 66 4.052 4.052 3.968 0.084 19538 305 1 . 1 1 66 66 LYS CA C 66 58.116 58.116 58.957 -0.841 19538 306 1 . 1 1 66 66 LYS CB C 66 31.677 31.677 31.823 -0.146 19538 307 1 . 1 1 66 66 LYS H H 66 8.339 8.339 8.716 -0.377 19538 308 1 . 1 1 67 67 GLU N N 67 118.253 118.253 118.682 -0.429 19538 309 1 . 1 1 67 67 GLU HA H 67 4.323 4.323 4.185 0.138 19538 310 1 . 1 1 67 67 GLU CA C 67 56.018 56.018 56.961 -0.943 19538 311 1 . 1 1 67 67 GLU CB C 67 29.587 29.587 29.530 0.057 19538 312 1 . 1 1 67 67 GLU H H 67 8.096 8.096 8.084 0.012 19538 313 1 . 1 1 68 68 GLY N N 68 107.960 107.960 106.750 1.210 19538 314 1 . 1 1 68 68 GLY CA C 68 45.213 45.213 45.389 -0.176 19538 315 1 . 1 1 68 68 GLY H H 68 8.168 8.168 8.577 -0.409 19538 316 1 . 1 1 69 69 ARG N N 69 121.436 121.436 119.230 2.205 19538 317 1 . 1 1 69 69 ARG HA H 69 4.482 4.482 4.967 -0.485 19538 318 1 . 1 1 69 69 ARG CA C 69 54.229 54.229 53.339 0.890 19538 319 1 . 1 1 69 69 ARG CB C 69 30.399 30.399 32.031 -1.632 19538 320 1 . 1 1 69 69 ARG H H 69 8.590 8.590 7.572 1.018 19538 321 1 . 1 1 70 70 THR N N 70 120.709 120.709 120.863 -0.154 19538 322 1 . 1 1 70 70 THR HA H 70 4.298 4.298 4.605 -0.307 19538 323 1 . 1 1 70 70 THR CA C 70 64.365 64.365 63.093 1.272 19538 324 1 . 1 1 70 70 THR CB C 70 68.832 68.832 68.958 -0.126 19538 325 1 . 1 1 70 70 THR H H 70 8.822 8.822 8.539 0.283 19538 326 1 . 1 1 71 71 HIS N N 71 127.496 127.496 127.432 0.064 19538 327 1 . 1 1 71 71 HIS HA H 71 5.138 5.138 4.821 0.317 19538 328 1 . 1 1 71 71 HIS CA C 71 53.948 53.948 55.514 -1.566 19538 329 1 . 1 1 71 71 HIS CB C 71 31.791 31.791 31.643 0.148 19538 330 1 . 1 1 71 71 HIS H H 71 9.384 9.384 9.722 -0.338 19538 331 1 . 1 1 72 72 HIS N N 72 121.684 121.684 127.117 -5.432 19538 332 1 . 1 1 72 72 HIS HA H 72 5.094 5.094 5.040 0.054 19538 333 1 . 1 1 72 72 HIS CA C 72 54.390 54.390 54.804 -0.414 19538 334 1 . 1 1 72 72 HIS CB C 72 33.961 33.961 30.915 3.046 19538 335 1 . 1 1 72 72 HIS H H 72 9.076 9.076 9.467 -0.391 19538 336 1 . 1 1 73 73 TYR N N 73 121.287 121.287 125.362 -4.075 19538 337 1 . 1 1 73 73 TYR HA H 73 5.305 5.305 4.954 0.351 19538 338 1 . 1 1 73 73 TYR CA C 73 56.017 56.017 57.601 -1.584 19538 339 1 . 1 1 73 73 TYR CB C 73 39.479 39.479 39.197 0.282 19538 340 1 . 1 1 73 73 TYR H H 73 9.305 9.305 8.914 0.391 19538 341 1 . 1 1 74 74 MET N N 74 124.078 124.078 124.841 -0.763 19538 342 1 . 1 1 74 74 MET HA H 74 4.867 4.867 5.519 -0.652 19538 343 1 . 1 1 74 74 MET CA C 74 54.701 54.701 54.444 0.257 19538 344 1 . 1 1 74 74 MET CB C 74 38.007 38.007 36.874 1.132 19538 345 1 . 1 1 74 74 MET H H 74 8.761 8.761 9.320 -0.559 19538 346 1 . 1 1 75 75 ARG N N 75 123.962 123.962 124.534 -0.572 19538 347 1 . 1 1 75 75 ARG HA H 75 5.471 5.471 5.540 -0.069 19538 348 1 . 1 1 75 75 ARG CA C 75 53.340 53.340 54.402 -1.062 19538 349 1 . 1 1 75 75 ARG CB C 75 34.441 34.441 33.252 1.189 19538 350 1 . 1 1 75 75 ARG H H 75 8.427 8.427 8.656 -0.229 19538 351 1 . 1 1 76 76 PHE N N 76 114.935 114.935 116.709 -1.774 19538 352 1 . 1 1 76 76 PHE HA H 76 4.621 4.621 5.063 -0.442 19538 353 1 . 1 1 76 76 PHE CA C 76 55.856 55.856 56.378 -0.522 19538 354 1 . 1 1 76 76 PHE CB C 76 39.167 39.167 41.463 -2.296 19538 355 1 . 1 1 76 76 PHE H H 76 8.296 8.296 8.810 -0.514 19538 356 1 . 1 1 77 77 HIS N N 77 117.830 117.830 119.443 -1.613 19538 357 1 . 1 1 77 77 HIS HA H 77 5.451 5.451 5.522 -0.071 19538 358 1 . 1 1 77 77 HIS CA C 77 54.767 54.767 55.407 -0.640 19538 359 1 . 1 1 77 77 HIS CB C 77 31.102 31.102 32.494 -1.392 19538 360 1 . 1 1 77 77 HIS H H 77 9.190 9.190 9.417 -0.227 19538 361 1 . 1 1 78 78 VAL N N 78 114.372 114.372 118.910 -4.538 19538 362 1 . 1 1 78 78 VAL HA H 78 5.110 5.110 5.121 -0.011 19538 363 1 . 1 1 78 78 VAL CA C 78 59.653 59.653 59.190 0.463 19538 364 1 . 1 1 78 78 VAL CB C 78 35.073 35.073 35.859 -0.786 19538 365 1 . 1 1 78 78 VAL H H 78 7.860 7.860 9.366 -1.506 19538 366 1 . 1 1 79 79 GLU N N 79 126.076 126.076 124.614 1.462 19538 367 1 . 1 1 79 79 GLU HA H 79 5.400 5.400 4.907 0.493 19538 368 1 . 1 1 79 79 GLU CA C 79 54.316 54.316 55.272 -0.956 19538 369 1 . 1 1 79 79 GLU CB C 79 34.060 34.060 31.901 2.159 19538 370 1 . 1 1 79 79 GLU H H 79 9.213 9.213 9.278 -0.065 19538 371 1 . 1 1 80 80 SER N N 80 124.627 124.627 123.043 1.584 19538 372 1 . 1 1 80 80 SER HA H 80 4.892 4.892 4.651 0.241 19538 373 1 . 1 1 80 80 SER CA C 80 54.930 54.930 57.690 -2.760 19538 374 1 . 1 1 80 80 SER CB C 80 67.503 67.503 64.081 3.422 19538 375 1 . 1 1 80 80 SER H H 80 9.464 9.464 9.282 0.182 19538 376 1 . 1 1 81 81 LYS N N 81 119.240 119.240 119.588 -0.348 19538 377 1 . 1 1 81 81 LYS HA H 81 4.000 4.000 4.174 -0.174 19538 378 1 . 1 1 81 81 LYS CA C 81 59.099 59.099 58.483 0.616 19538 379 1 . 1 1 81 81 LYS CB C 81 31.721 31.721 32.440 -0.719 19538 380 1 . 1 1 81 81 LYS H H 81 10.052 10.052 8.391 1.661 19538 381 1 . 1 1 82 82 LYS N N 82 114.688 114.688 114.749 -0.061 19538 382 1 . 1 1 82 82 LYS HA H 82 4.365 4.365 4.442 -0.077 19538 383 1 . 1 1 82 82 LYS CA C 82 56.211 56.211 55.995 0.216 19538 384 1 . 1 1 82 82 LYS CB C 82 36.484 36.484 34.586 1.898 19538 385 1 . 1 1 82 82 LYS H H 82 7.782 7.782 7.848 -0.066 19538 386 1 . 1 1 83 83 LYS N N 83 118.992 118.992 119.337 -0.345 19538 387 1 . 1 1 83 83 LYS HA H 83 4.749 4.749 4.687 0.062 19538 388 1 . 1 1 83 83 LYS CA C 83 53.590 53.590 54.497 -0.907 19538 389 1 . 1 1 83 83 LYS CB C 83 39.218 39.218 36.259 2.959 19538 390 1 . 1 1 83 83 LYS H H 83 7.962 7.962 8.037 -0.075 19538 391 1 . 1 1 84 84 ILE N N 84 118.513 118.513 120.596 -2.083 19538 392 1 . 1 1 84 84 ILE HA H 84 4.556 4.556 4.755 -0.199 19538 393 1 . 1 1 84 84 ILE CA C 84 60.643 60.643 60.582 0.061 19538 394 1 . 1 1 84 84 ILE CB C 84 39.946 39.946 39.117 0.828 19538 395 1 . 1 1 84 84 ILE H H 84 7.927 7.927 8.560 -0.633 19538 396 1 . 1 1 85 85 ALA N N 85 127.327 127.327 129.848 -2.521 19538 397 1 . 1 1 85 85 ALA HA H 85 5.048 5.048 5.097 -0.049 19538 398 1 . 1 1 85 85 ALA CA C 85 49.316 49.316 49.683 -0.367 19538 399 1 . 1 1 85 85 ALA CB C 85 24.205 24.205 22.968 1.237 19538 400 1 . 1 1 85 85 ALA H H 85 9.211 9.211 9.248 -0.037 19538 401 1 . 1 1 86 86 LEU N N 86 122.978 122.978 122.310 0.668 19538 402 1 . 1 1 86 86 LEU HA H 86 4.554 4.554 4.596 -0.042 19538 403 1 . 1 1 86 86 LEU CA C 86 53.671 53.671 53.214 0.457 19538 404 1 . 1 1 86 86 LEU CB C 86 44.396 44.396 45.116 -0.720 19538 405 1 . 1 1 86 86 LEU H H 86 8.312 8.312 8.952 -0.640 19538 406 1 . 1 1 87 87 VAL N N 87 127.511 127.511 126.323 1.188 19538 407 1 . 1 1 87 87 VAL HA H 87 4.244 4.244 4.454 -0.210 19538 408 1 . 1 1 87 87 VAL CA C 87 60.226 60.226 60.449 -0.223 19538 409 1 . 1 1 87 87 VAL CB C 87 31.609 31.609 33.101 -1.492 19538 410 1 . 1 1 87 87 VAL H H 87 9.017 9.017 9.006 0.011 19538 411 1 . 1 1 88 88 HIS N N 88 124.227 124.227 127.231 -3.004 19538 412 1 . 1 1 88 88 HIS HA H 88 4.687 4.687 5.011 -0.324 19538 413 1 . 1 1 88 88 HIS CA C 88 54.314 54.314 52.968 1.346 19538 414 1 . 1 1 88 88 HIS CB C 88 33.245 33.245 32.263 0.982 19538 415 1 . 1 1 88 88 HIS H H 88 8.104 8.104 8.789 -0.685 19538 416 1 . 1 1 89 89 LEU N N 89 121.992 121.992 128.852 -6.860 19538 417 1 . 1 1 89 89 LEU HA H 89 5.050 5.050 5.092 -0.042 19538 418 1 . 1 1 89 89 LEU CA C 89 52.983 52.983 53.648 -0.665 19538 419 1 . 1 1 89 89 LEU CB C 89 46.355 46.355 46.398 -0.043 19538 420 1 . 1 1 89 89 LEU H H 89 8.600 8.600 9.555 -0.955 19538 421 1 . 1 1 90 90 GLU N N 90 121.551 121.551 125.642 -4.091 19538 422 1 . 1 1 90 90 GLU HA H 90 5.253 5.253 5.698 -0.445 19538 423 1 . 1 1 90 90 GLU CA C 90 53.422 53.422 54.434 -1.012 19538 424 1 . 1 1 90 90 GLU CB C 90 33.238 33.238 33.283 -0.045 19538 425 1 . 1 1 90 90 GLU H H 90 8.816 8.816 9.477 -0.661 19538 426 1 . 1 1 91 91 ALA N N 91 128.266 128.266 127.365 0.901 19538 427 1 . 1 1 91 91 ALA HA H 91 5.385 5.385 5.478 -0.093 19538 428 1 . 1 1 91 91 ALA CA C 91 49.164 49.164 49.953 -0.789 19538 429 1 . 1 1 91 91 ALA CB C 91 23.227 23.227 23.233 -0.006 19538 430 1 . 1 1 91 91 ALA H H 91 9.287 9.287 8.969 0.318 19538 431 1 . 1 1 92 92 LYS N N 92 121.573 121.573 119.575 1.998 19538 432 1 . 1 1 92 92 LYS HA H 92 4.884 4.884 5.351 -0.467 19538 433 1 . 1 1 92 92 LYS CA C 92 54.365 54.365 53.942 0.423 19538 434 1 . 1 1 92 92 LYS CB C 92 36.427 36.427 35.544 0.883 19538 435 1 . 1 1 92 92 LYS H H 92 9.160 9.160 8.922 0.238 19538 436 1 . 1 1 93 93 GLU N N 93 127.022 127.022 125.695 1.327 19538 437 1 . 1 1 93 93 GLU HA H 93 4.145 4.145 4.281 -0.136 19538 438 1 . 1 1 93 93 GLU CA C 93 56.227 56.227 56.380 -0.153 19538 439 1 . 1 1 93 93 GLU CB C 93 30.986 30.986 30.354 0.632 19538 440 1 . 1 1 93 93 GLU H H 93 8.525 8.525 9.111 -0.586 19538 441 1 . 1 1 94 94 SER N N 94 120.676 120.676 120.903 -0.227 19538 442 1 . 1 1 94 94 SER HA H 94 4.416 4.416 4.165 0.251 19538 443 1 . 1 1 94 94 SER CA C 94 57.241 57.241 61.146 -3.905 19538 444 1 . 1 1 94 94 SER CB C 94 63.634 63.634 63.655 -0.021 19538 445 1 . 1 1 94 94 SER H H 94 8.877 8.877 8.583 0.294 19538 446 1 . 1 1 95 95 LYS HA H 95 4.212 4.212 4.372 -0.160 19538 447 1 . 1 1 95 95 LYS CA C 95 56.036 56.036 57.868 -1.832 19538 448 1 . 1 1 95 95 LYS CB C 95 33.113 33.113 32.763 0.349 19538 449 1 . 1 1 96 96 GLN N N 96 118.641 118.641 116.895 1.746 19538 450 1 . 1 1 96 96 GLN HA H 96 4.140 4.140 4.372 -0.232 19538 451 1 . 1 1 96 96 GLN CA C 96 56.338 56.338 55.281 1.057 19538 452 1 . 1 1 96 96 GLN CB C 96 28.958 28.958 29.031 -0.073 19538 453 1 . 1 1 96 96 GLN H H 96 8.335 8.335 8.051 0.284 19538 454 1 . 1 1 97 97 ASN N N 97 116.545 116.545 118.164 -1.619 19538 455 1 . 1 1 97 97 ASN HA H 97 4.511 4.511 4.503 0.008 19538 456 1 . 1 1 97 97 ASN CA C 97 53.163 53.163 52.930 0.233 19538 457 1 . 1 1 97 97 ASN CB C 97 38.370 38.370 39.202 -0.832 19538 458 1 . 1 1 97 97 ASN H H 97 8.199 8.199 7.879 0.320 19538 459 1 . 1 1 98 98 TYR N N 98 119.134 119.134 121.460 -2.326 19538 460 1 . 1 1 98 98 TYR HA H 98 4.482 4.482 4.258 0.224 19538 461 1 . 1 1 98 98 TYR CA C 98 57.458 57.458 60.197 -2.739 19538 462 1 . 1 1 98 98 TYR CB C 98 38.539 38.539 38.675 -0.136 19538 463 1 . 1 1 98 98 TYR H H 98 7.918 7.918 8.475 -0.557 19538 464 1 . 1 1 99 99 GLN N N 99 119.975 119.975 116.966 3.009 19538 465 1 . 1 1 99 99 GLN HA H 99 4.440 4.440 4.648 -0.208 19538 466 1 . 1 1 99 99 GLN CA C 99 53.092 53.092 52.784 0.308 19538 467 1 . 1 1 99 99 GLN CB C 99 27.891 27.891 29.620 -1.729 19538 468 1 . 1 1 99 99 GLN H H 99 7.992 7.992 8.079 -0.087 19538 469 1 . 1 1 100 100 PRO HA H 100 4.294 4.294 4.270 0.024 19538 470 1 . 1 1 100 100 PRO CA C 100 62.415 62.415 62.103 0.312 19538 471 1 . 1 1 100 100 PRO CB C 100 32.538 32.538 32.079 0.459 19538 472 1 . 1 1 101 101 ASP N N 101 120.964 120.964 121.277 -0.313 19538 473 1 . 1 1 101 101 ASP HA H 101 4.654 4.654 4.449 0.205 19538 474 1 . 1 1 101 101 ASP CA C 101 52.845 52.845 53.799 -0.954 19538 475 1 . 1 1 101 101 ASP CB C 101 42.316 42.316 41.642 0.674 19538 476 1 . 1 1 101 101 ASP H H 101 8.225 8.225 8.707 -0.482 19538 477 1 . 1 1 102 102 PHE N N 102 122.913 122.913 123.048 -0.135 19538 478 1 . 1 1 102 102 PHE HA H 102 4.642 4.642 4.529 0.113 19538 479 1 . 1 1 102 102 PHE CA C 102 57.341 57.341 58.448 -1.107 19538 480 1 . 1 1 102 102 PHE CB C 102 38.576 38.576 37.954 0.622 19538 481 1 . 1 1 102 102 PHE H H 102 9.014 9.014 8.404 0.610 19538 482 1 . 1 1 103 103 ILE N N 103 117.131 117.131 123.790 -6.659 19538 483 1 . 1 1 103 103 ILE HA H 103 4.464 4.464 3.816 0.648 19538 484 1 . 1 1 103 103 ILE CA C 103 60.346 60.346 63.872 -3.526 19538 485 1 . 1 1 103 103 ILE CB C 103 39.243 39.243 38.615 0.628 19538 486 1 . 1 1 103 103 ILE H H 103 8.765 8.765 8.395 0.370 19538 487 1 . 1 1 104 104 ASN N N 104 117.264 117.264 115.609 1.655 19538 488 1 . 1 1 104 104 ASN HA H 104 4.913 4.913 5.130 -0.217 19538 489 1 . 1 1 104 104 ASN CA C 104 52.710 52.710 52.656 0.054 19538 490 1 . 1 1 104 104 ASN CB C 104 41.361 41.361 42.330 -0.969 19538 491 1 . 1 1 104 104 ASN H H 104 7.441 7.441 8.160 -0.719 19538 492 1 . 1 1 105 105 MET N N 105 125.685 125.685 121.752 3.933 19538 493 1 . 1 1 105 105 MET HA H 105 5.484 5.484 5.412 0.072 19538 494 1 . 1 1 105 105 MET CA C 105 56.071 56.071 55.003 1.068 19538 495 1 . 1 1 105 105 MET CB C 105 34.514 34.514 35.292 -0.778 19538 496 1 . 1 1 105 105 MET H H 105 9.244 9.244 8.701 0.543 19538 497 1 . 1 1 106 106 TYR N N 106 125.856 125.856 120.547 5.309 19538 498 1 . 1 1 106 106 TYR HA H 106 5.438 5.438 5.399 0.039 19538 499 1 . 1 1 106 106 TYR CA C 106 54.552 54.552 55.237 -0.685 19538 500 1 . 1 1 106 106 TYR CB C 106 40.104 40.104 40.912 -0.808 19538 501 1 . 1 1 106 106 TYR H H 106 8.893 8.893 8.840 0.053 19538 502 1 . 1 1 107 107 VAL N N 107 117.033 117.033 119.946 -2.913 19538 503 1 . 1 1 107 107 VAL HA H 107 4.957 4.957 4.655 0.302 19538 504 1 . 1 1 107 107 VAL CA C 107 60.008 60.008 60.988 -0.980 19538 505 1 . 1 1 107 107 VAL CB C 107 35.319 35.319 34.519 0.800 19538 506 1 . 1 1 107 107 VAL H H 107 9.041 9.041 9.324 -0.283 19538 507 1 . 1 1 108 108 ASP N N 108 129.995 129.995 128.863 1.132 19538 508 1 . 1 1 108 108 ASP HA H 108 5.240 5.240 4.998 0.242 19538 509 1 . 1 1 108 108 ASP CA C 108 52.975 52.975 52.345 0.630 19538 510 1 . 1 1 108 108 ASP CB C 108 42.245 42.245 42.420 -0.176 19538 511 1 . 1 1 108 108 ASP H H 108 9.382 9.382 9.362 0.020 19538 512 1 . 1 1 109 109 VAL N N 109 129.641 129.641 126.476 3.165 19538 513 1 . 1 1 109 109 VAL HA H 109 4.464 4.464 4.433 0.031 19538 514 1 . 1 1 109 109 VAL CA C 109 58.694 58.694 58.714 -0.020 19538 515 1 . 1 1 109 109 VAL CB C 109 33.061 33.061 33.752 -0.691 19538 516 1 . 1 1 109 109 VAL H H 109 9.181 9.181 8.184 0.997 19538 517 1 . 1 1 110 110 PRO HA H 110 4.288 4.288 4.390 -0.102 19538 518 1 . 1 1 110 110 PRO CA C 110 64.107 64.107 63.965 0.142 19538 519 1 . 1 1 110 110 PRO CB C 110 31.557 31.557 32.122 -0.565 19538 520 1 . 1 1 111 111 GLY N N 111 112.873 112.873 111.876 0.997 19538 521 1 . 1 1 111 111 GLY CA C 111 44.872 44.872 45.573 -0.701 19538 522 1 . 1 1 111 111 GLY H H 111 8.839 8.839 8.725 0.114 19538 523 1 . 1 1 112 112 GLU N N 112 118.157 118.157 120.667 -2.510 19538 524 1 . 1 1 112 112 GLU HA H 112 4.858 4.858 4.605 0.253 19538 525 1 . 1 1 112 112 GLU CA C 112 52.732 52.732 54.854 -2.122 19538 526 1 . 1 1 112 112 GLU CB C 112 31.513 31.513 31.464 0.049 19538 527 1 . 1 1 112 112 GLU H H 112 8.136 8.136 7.951 0.185 19538 528 1 . 1 1 113 113 LYS N N 113 121.944 121.944 121.487 0.457 19538 529 1 . 1 1 113 113 LYS HA H 113 4.208 4.208 4.343 -0.135 19538 530 1 . 1 1 113 113 LYS CA C 113 55.810 55.810 55.783 0.027 19538 531 1 . 1 1 113 113 LYS CB C 113 32.157 32.157 32.857 -0.700 19538 532 1 . 1 1 113 113 LYS H H 113 8.847 8.847 8.444 0.403 19538 533 1 . 1 1 114 114 ARG N N 114 126.520 126.520 121.517 5.003 19538 534 1 . 1 1 114 114 ARG HA H 114 4.064 4.064 4.408 -0.344 19538 535 1 . 1 1 114 114 ARG CA C 114 57.914 57.914 56.462 1.452 19538 536 1 . 1 1 114 114 ARG CB C 114 30.627 30.627 30.507 0.120 19538 537 1 . 1 1 114 114 ARG H H 114 8.539 8.539 8.360 0.179 19538 538 1 . 1 1 115 115 TYR N N 115 128.478 128.478 126.914 1.564 19538 539 1 . 1 1 115 115 TYR HA H 115 4.671 4.671 4.795 -0.124 19538 540 1 . 1 1 115 115 TYR CA C 115 56.519 56.519 56.755 -0.236 19538 541 1 . 1 1 115 115 TYR CB C 115 40.193 40.193 41.441 -1.248 19538 542 1 . 1 1 115 115 TYR H H 115 8.333 8.333 9.046 -0.713 19538 543 1 . 1 1 116 116 TYR N N 116 127.101 127.101 128.117 -1.016 19538 544 1 . 1 1 116 116 TYR HA H 116 4.553 4.553 4.672 -0.119 19538 545 1 . 1 1 116 116 TYR CA C 116 58.502 58.502 58.110 0.392 19538 546 1 . 1 1 116 116 TYR CB C 116 38.842 38.842 37.485 1.357 19538 547 1 . 1 1 116 116 TYR H H 116 8.740 8.740 8.668 0.072 19538 548 1 . 1 1 117 117 LEU N N 117 125.574 125.574 125.322 0.252 19538 549 1 . 1 1 117 117 LEU HA H 117 4.394 4.394 4.297 0.097 19538 550 1 . 1 1 117 117 LEU CA C 117 57.384 57.384 56.794 0.590 19538 551 1 . 1 1 117 117 LEU CB C 117 43.272 43.272 42.929 0.343 19538 552 1 . 1 1 117 117 LEU H H 117 8.427 8.427 8.359 0.068 19538 553 1 . 1 1 118 118 ILE N N 118 118.478 118.478 118.745 -0.267 19538 554 1 . 1 1 118 118 ILE HA H 118 4.199 4.199 4.264 -0.065 19538 555 1 . 1 1 118 118 ILE CA C 118 60.074 60.074 60.246 -0.172 19538 556 1 . 1 1 118 118 ILE CB C 118 40.895 40.895 40.002 0.893 19538 557 1 . 1 1 118 118 ILE H H 118 7.983 7.983 8.319 -0.336 19538 558 1 . 1 1 119 119 LYS N N 119 127.589 127.589 128.539 -0.950 19538 559 1 . 1 1 119 119 LYS HA H 119 4.778 4.778 4.685 0.093 19538 560 1 . 1 1 119 119 LYS CA C 119 53.232 53.232 52.856 0.375 19538 561 1 . 1 1 119 119 LYS CB C 119 32.581 32.581 31.286 1.295 19538 562 1 . 1 1 119 119 LYS H H 119 8.550 8.550 8.603 -0.053 19538 563 1 . 1 1 120 120 PRO HA H 120 4.534 4.534 4.758 -0.224 19538 564 1 . 1 1 120 120 PRO CA C 120 62.395 62.395 62.086 0.309 19538 565 1 . 1 1 120 120 PRO CB C 120 32.059 32.059 32.551 -0.492 19538 566 1 . 1 1 121 121 LYS N N 121 122.191 122.191 121.168 1.023 19538 567 1 . 1 1 121 121 LYS HA H 121 4.136 4.136 4.105 0.031 19538 568 1 . 1 1 121 121 LYS CA C 121 55.840 55.840 56.411 -0.571 19538 569 1 . 1 1 121 121 LYS CB C 121 33.162 33.162 30.020 3.142 19538 570 1 . 1 1 121 121 LYS H H 121 8.406 8.406 8.553 -0.147 19538 571 1 . 1 1 122 122 LEU N N 122 122.972 122.972 120.132 2.840 19538 572 1 . 1 1 122 122 LEU HA H 122 4.219 4.219 4.044 0.175 19538 573 1 . 1 1 122 122 LEU CA C 122 54.494 54.494 56.161 -1.667 19538 574 1 . 1 1 122 122 LEU CB C 122 41.990 41.990 41.844 0.146 19538 575 1 . 1 1 122 122 LEU H H 122 8.158 8.158 8.397 -0.239 19538 576 1 . 1 1 123 123 HIS N N 123 121.608 121.608 115.792 5.816 19538 577 1 . 1 1 123 123 HIS HA H 123 4.776 4.776 4.813 -0.037 19538 578 1 . 1 1 123 123 HIS CA C 123 53.651 53.651 53.504 0.147 19538 579 1 . 1 1 123 123 HIS CB C 123 30.145 30.145 30.066 0.079 19538 580 1 . 1 1 123 123 HIS H H 123 8.172 8.172 7.829 0.343 19538 581 1 . 1 1 124 124 PRO HA H 124 4.085 4.085 4.399 -0.314 19538 582 1 . 1 1 124 124 PRO CA C 124 62.119 62.119 63.339 -1.220 19538 583 1 . 1 1 124 124 PRO CB C 124 33.900 33.900 31.916 1.984 19538 584 1 . 1 1 125 125 VAL N N 125 120.758 120.758 118.382 2.376 19538 585 1 . 1 1 125 125 VAL HA H 125 4.085 4.085 3.844 0.241 19538 586 1 . 1 1 125 125 VAL CA C 125 61.791 61.791 63.972 -2.181 19538 587 1 . 1 1 125 125 VAL CB C 125 32.635 32.635 31.604 1.031 19538 588 1 . 1 1 125 125 VAL H H 125 8.361 8.361 8.213 0.148 19538 589 1 . 1 1 126 126 SER N N 126 119.450 119.450 117.002 2.448 19538 590 1 . 1 1 126 126 SER HA H 126 4.417 4.417 4.454 -0.037 19538 591 1 . 1 1 126 126 SER CA C 126 57.522 57.522 58.961 -1.439 19538 592 1 . 1 1 126 126 SER CB C 126 63.634 63.634 63.482 0.152 19538 593 1 . 1 1 126 126 SER H H 126 8.323 8.323 8.280 0.043 19538 stop_ save_