data_25437 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25437 _Entry.PDB_ID 2MXZ 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 25437 _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 3 3 PHE N N 3 121.785 121.785 119.991 1.794 25437 2 1 1 . 1 1 3 3 PHE HA H 3 4.792 4.792 4.011 0.781 25437 3 1 1 . 1 1 3 3 PHE CA C 3 56.407 56.407 59.238 -2.831 25437 4 1 1 . 1 1 3 3 PHE CB C 3 40.111 40.111 39.342 0.769 25437 5 1 1 . 1 1 3 3 PHE H H 3 8.534 8.534 7.977 0.557 25437 6 1 1 . 1 1 4 4 LYS N N 4 119.409 119.409 122.851 -3.442 25437 7 1 1 . 1 1 4 4 LYS HA H 4 4.452 4.452 4.073 0.379 25437 8 1 1 . 1 1 4 4 LYS CA C 4 54.774 54.774 54.267 0.507 25437 9 1 1 . 1 1 4 4 LYS CB C 4 35.710 35.710 35.230 0.480 25437 10 1 1 . 1 1 4 4 LYS H H 4 8.367 8.367 7.470 0.897 25437 11 1 1 . 1 1 5 5 PHE N N 5 124.495 124.495 119.831 4.664 25437 12 1 1 . 1 1 5 5 PHE HA H 5 4.873 4.873 4.533 0.340 25437 13 1 1 . 1 1 5 5 PHE CA C 5 58.636 58.636 56.912 1.724 25437 14 1 1 . 1 1 5 5 PHE CB C 5 39.217 39.217 38.069 1.148 25437 15 1 1 . 1 1 5 5 PHE H H 5 8.603 8.603 7.823 0.780 25437 16 1 1 . 1 1 6 6 GLY N N 6 108.622 108.622 112.410 -3.788 25437 17 1 1 . 1 1 6 6 GLY CA C 6 43.819 43.819 44.507 -0.688 25437 18 1 1 . 1 1 6 6 GLY H H 6 8.559 8.559 8.323 0.236 25437 19 1 1 . 1 1 7 7 LYS N N 7 119.341 119.341 120.665 -1.324 25437 20 1 1 . 1 1 7 7 LYS HA H 7 3.958 3.958 4.050 -0.092 25437 21 1 1 . 1 1 7 7 LYS CA C 7 60.087 60.087 59.533 0.554 25437 22 1 1 . 1 1 7 7 LYS CB C 7 32.399 32.399 32.390 0.009 25437 23 1 1 . 1 1 7 7 LYS H H 7 8.692 8.692 8.668 0.024 25437 24 1 1 . 1 1 8 8 ASN N N 8 118.555 118.555 116.898 1.657 25437 25 1 1 . 1 1 8 8 ASN HA H 8 4.551 4.551 4.653 -0.102 25437 26 1 1 . 1 1 8 8 ASN CA C 8 56.776 56.776 56.172 0.604 25437 27 1 1 . 1 1 8 8 ASN CB C 8 36.961 36.961 38.075 -1.113 25437 28 1 1 . 1 1 8 8 ASN H H 8 9.185 9.185 8.644 0.541 25437 29 1 1 . 1 1 9 9 SER N N 9 118.632 118.632 117.128 1.504 25437 30 1 1 . 1 1 9 9 SER HA H 9 4.283 4.283 4.372 -0.089 25437 31 1 1 . 1 1 9 9 SER CA C 9 62.790 62.790 61.736 1.054 25437 32 1 1 . 1 1 9 9 SER CB C 9 62.790 62.790 62.726 0.064 25437 33 1 1 . 1 1 9 9 SER H H 9 8.076 8.076 8.120 -0.044 25437 34 1 1 . 1 1 10 10 GLU N N 10 120.882 120.882 121.017 -0.135 25437 35 1 1 . 1 1 10 10 GLU HA H 10 3.977 3.977 4.089 -0.112 25437 36 1 1 . 1 1 10 10 GLU CA C 10 59.409 59.409 59.646 -0.237 25437 37 1 1 . 1 1 10 10 GLU CB C 10 28.556 28.556 29.649 -1.093 25437 38 1 1 . 1 1 10 10 GLU H H 10 8.351 8.351 8.542 -0.191 25437 39 1 1 . 1 1 11 11 LYS N N 11 120.030 120.030 119.108 0.922 25437 40 1 1 . 1 1 11 11 LYS HA H 11 4.056 4.056 4.143 -0.087 25437 41 1 1 . 1 1 11 11 LYS CA C 11 59.477 59.477 58.424 1.053 25437 42 1 1 . 1 1 11 11 LYS CB C 11 32.032 32.032 32.185 -0.153 25437 43 1 1 . 1 1 11 11 LYS H H 11 7.937 7.937 7.434 0.503 25437 44 1 1 . 1 1 12 12 GLN N N 12 114.749 114.749 119.265 -4.516 25437 45 1 1 . 1 1 12 12 GLN HA H 12 4.147 4.147 4.042 0.105 25437 46 1 1 . 1 1 12 12 GLN CA C 12 57.373 57.373 58.998 -1.625 25437 47 1 1 . 1 1 12 12 GLN CB C 12 28.511 28.511 28.639 -0.128 25437 48 1 1 . 1 1 12 12 GLN H H 12 7.562 7.562 8.250 -0.688 25437 49 1 1 . 1 1 13 13 LEU N N 13 121.751 121.751 118.180 3.571 25437 50 1 1 . 1 1 13 13 LEU HA H 13 3.880 3.880 4.261 -0.381 25437 51 1 1 . 1 1 13 13 LEU CA C 13 57.080 57.080 56.478 0.602 25437 52 1 1 . 1 1 13 13 LEU CB C 13 42.413 42.413 40.621 1.792 25437 53 1 1 . 1 1 13 13 LEU H H 13 8.725 8.725 8.131 0.594 25437 54 1 1 . 1 1 14 14 ALA N N 14 116.323 116.323 120.481 -4.158 25437 55 1 1 . 1 1 14 14 ALA HA H 14 4.070 4.070 4.215 -0.145 25437 56 1 1 . 1 1 14 14 ALA CA C 14 53.706 53.706 54.029 -0.323 25437 57 1 1 . 1 1 14 14 ALA CB C 14 18.020 18.020 18.805 -0.785 25437 58 1 1 . 1 1 14 14 ALA H H 14 7.574 7.574 7.642 -0.068 25437 59 1 1 . 1 1 15 15 THR N N 15 104.034 104.034 109.911 -5.877 25437 60 1 1 . 1 1 15 15 THR HA H 15 4.431 4.431 4.403 0.028 25437 61 1 1 . 1 1 15 15 THR CA C 15 62.381 62.381 61.688 0.693 25437 62 1 1 . 1 1 15 15 THR CB C 15 70.327 70.327 69.821 0.506 25437 63 1 1 . 1 1 15 15 THR H H 15 7.326 7.326 7.594 -0.268 25437 64 1 1 . 1 1 16 16 VAL N N 16 112.438 112.438 122.250 -9.812 25437 65 1 1 . 1 1 16 16 VAL HA H 16 4.922 4.922 3.838 1.084 25437 66 1 1 . 1 1 16 16 VAL CA C 16 59.661 59.661 64.163 -4.502 25437 67 1 1 . 1 1 16 16 VAL CB C 16 32.989 32.989 32.933 0.056 25437 68 1 1 . 1 1 16 16 VAL H H 16 7.164 7.164 7.340 -0.176 25437 69 1 1 . 1 1 17 17 LYS N N 17 120.729 120.729 128.751 -8.022 25437 70 1 1 . 1 1 17 17 LYS HA H 17 4.230 4.230 4.316 -0.086 25437 71 1 1 . 1 1 17 17 LYS CA C 17 55.486 55.486 58.337 -2.851 25437 72 1 1 . 1 1 17 17 LYS CB C 17 32.079 32.079 30.736 1.343 25437 73 1 1 . 1 1 17 17 LYS H H 17 8.907 8.907 8.695 0.212 25437 74 1 1 . 1 1 18 18 PRO HA H 18 4.130 4.130 4.425 -0.295 25437 75 1 1 . 1 1 18 18 PRO CA C 18 65.813 65.813 63.110 2.703 25437 76 1 1 . 1 1 18 18 PRO CB C 18 31.864 31.864 31.978 -0.114 25437 77 1 1 . 1 1 19 19 GLU N N 19 117.608 117.608 117.932 -0.324 25437 78 1 1 . 1 1 19 19 GLU HA H 19 4.011 4.011 4.433 -0.422 25437 79 1 1 . 1 1 19 19 GLU CA C 19 61.031 61.031 56.360 4.671 25437 80 1 1 . 1 1 19 19 GLU CB C 19 29.117 29.117 29.413 -0.296 25437 81 1 1 . 1 1 19 19 GLU H H 19 9.714 9.714 8.669 1.045 25437 82 1 1 . 1 1 20 20 LEU N N 20 117.938 117.938 118.468 -0.530 25437 83 1 1 . 1 1 20 20 LEU HA H 20 4.258 4.258 4.013 0.245 25437 84 1 1 . 1 1 20 20 LEU CA C 20 56.261 56.261 58.215 -1.954 25437 85 1 1 . 1 1 20 20 LEU CB C 20 41.894 41.894 40.980 0.914 25437 86 1 1 . 1 1 20 20 LEU H H 20 7.188 7.188 7.946 -0.758 25437 87 1 1 . 1 1 21 21 GLN N N 21 118.367 118.367 118.374 -0.007 25437 88 1 1 . 1 1 21 21 GLN HA H 21 3.831 3.831 3.983 -0.152 25437 89 1 1 . 1 1 21 21 GLN CA C 21 60.100 60.100 58.595 1.505 25437 90 1 1 . 1 1 21 21 GLN CB C 21 27.745 27.745 27.430 0.315 25437 91 1 1 . 1 1 21 21 GLN H H 21 7.805 7.805 8.535 -0.730 25437 92 1 1 . 1 1 22 22 LYS N N 22 116.715 116.715 119.742 -3.027 25437 93 1 1 . 1 1 22 22 LYS HA H 22 3.962 3.962 4.005 -0.043 25437 94 1 1 . 1 1 22 22 LYS CA C 22 59.816 59.816 59.266 0.550 25437 95 1 1 . 1 1 22 22 LYS CB C 22 32.520 32.520 31.747 0.773 25437 96 1 1 . 1 1 22 22 LYS H H 22 8.143 8.143 7.840 0.303 25437 97 1 1 . 1 1 23 23 VAL N N 23 118.397 118.397 119.590 -1.193 25437 98 1 1 . 1 1 23 23 VAL HA H 23 3.591 3.591 3.572 0.019 25437 99 1 1 . 1 1 23 23 VAL CA C 23 66.313 66.313 66.042 0.271 25437 100 1 1 . 1 1 23 23 VAL CB C 23 31.529 31.529 31.319 0.210 25437 101 1 1 . 1 1 23 23 VAL H H 23 7.715 7.715 7.601 0.114 25437 102 1 1 . 1 1 24 24 ALA N N 24 121.929 121.929 121.823 0.106 25437 103 1 1 . 1 1 24 24 ALA HA H 24 4.024 4.024 3.509 0.515 25437 104 1 1 . 1 1 24 24 ALA CA C 24 55.444 55.444 55.317 0.127 25437 105 1 1 . 1 1 24 24 ALA CB C 24 18.086 18.086 18.162 -0.076 25437 106 1 1 . 1 1 24 24 ALA H H 24 8.307 8.307 7.374 0.933 25437 107 1 1 . 1 1 25 25 ARG N N 25 114.491 114.491 119.476 -4.985 25437 108 1 1 . 1 1 25 25 ARG HA H 25 4.114 4.114 4.128 -0.014 25437 109 1 1 . 1 1 25 25 ARG CA C 25 60.717 60.717 59.694 1.023 25437 110 1 1 . 1 1 25 25 ARG CB C 25 29.257 29.257 30.334 -1.077 25437 111 1 1 . 1 1 25 25 ARG H H 25 8.224 8.224 8.317 -0.093 25437 112 1 1 . 1 1 26 26 ARG N N 26 119.944 119.944 119.094 0.850 25437 113 1 1 . 1 1 26 26 ARG HA H 26 4.223 4.223 3.988 0.235 25437 114 1 1 . 1 1 26 26 ARG CA C 26 57.097 57.097 59.164 -2.067 25437 115 1 1 . 1 1 26 26 ARG CB C 26 28.888 28.888 30.144 -1.256 25437 116 1 1 . 1 1 26 26 ARG H H 26 7.703 7.703 8.074 -0.371 25437 117 1 1 . 1 1 27 27 ALA N N 27 122.041 122.041 122.667 -0.626 25437 118 1 1 . 1 1 27 27 ALA HA H 27 3.611 3.611 3.934 -0.323 25437 119 1 1 . 1 1 27 27 ALA CA C 27 55.249 55.249 55.051 0.198 25437 120 1 1 . 1 1 27 27 ALA CB C 27 15.829 15.829 17.814 -1.985 25437 121 1 1 . 1 1 27 27 ALA H H 27 8.754 8.754 8.280 0.474 25437 122 1 1 . 1 1 28 28 LEU N N 28 117.421 117.421 118.375 -0.954 25437 123 1 1 . 1 1 28 28 LEU HA H 28 4.053 4.053 4.210 -0.157 25437 124 1 1 . 1 1 28 28 LEU CA C 28 57.757 57.757 58.206 -0.449 25437 125 1 1 . 1 1 28 28 LEU CB C 28 40.351 40.351 42.017 -1.666 25437 126 1 1 . 1 1 28 28 LEU H H 28 7.657 7.657 8.001 -0.344 25437 127 1 1 . 1 1 29 29 GLU N N 29 114.911 114.911 117.624 -2.713 25437 128 1 1 . 1 1 29 29 GLU HA H 29 4.023 4.023 4.155 -0.132 25437 129 1 1 . 1 1 29 29 GLU CA C 29 58.489 58.489 58.096 0.393 25437 130 1 1 . 1 1 29 29 GLU CB C 29 29.540 29.540 30.152 -0.612 25437 131 1 1 . 1 1 29 29 GLU H H 29 7.039 7.039 7.541 -0.502 25437 132 1 1 . 1 1 30 30 LEU N N 30 117.166 117.166 118.810 -1.644 25437 133 1 1 . 1 1 30 30 LEU HA H 30 4.281 4.281 4.003 0.278 25437 134 1 1 . 1 1 30 30 LEU CA C 30 55.266 55.266 56.656 -1.390 25437 135 1 1 . 1 1 30 30 LEU CB C 30 44.403 44.403 42.315 2.088 25437 136 1 1 . 1 1 30 30 LEU H H 30 7.353 7.353 8.225 -0.872 25437 137 1 1 . 1 1 31 31 SER N N 31 116.260 116.260 114.827 1.433 25437 138 1 1 . 1 1 31 31 SER HA H 31 4.557 4.557 4.267 0.290 25437 139 1 1 . 1 1 31 31 SER CA C 31 55.723 55.723 57.938 -2.215 25437 140 1 1 . 1 1 31 31 SER CB C 31 65.560 65.560 63.997 1.563 25437 141 1 1 . 1 1 31 31 SER H H 31 7.742 7.742 7.918 -0.176 25437 142 1 1 . 1 1 32 32 PRO HA H 32 4.609 4.609 4.207 0.402 25437 143 1 1 . 1 1 32 32 PRO CA C 32 63.483 63.483 63.950 -0.467 25437 144 1 1 . 1 1 32 32 PRO CB C 32 31.236 31.236 31.526 -0.291 25437 145 1 1 . 1 1 33 33 TYR N N 33 114.714 114.714 117.953 -3.239 25437 146 1 1 . 1 1 33 33 TYR HA H 33 4.710 4.710 4.762 -0.052 25437 147 1 1 . 1 1 33 33 TYR CA C 33 56.742 56.742 55.803 0.939 25437 148 1 1 . 1 1 33 33 TYR CB C 33 41.506 41.506 39.788 1.718 25437 149 1 1 . 1 1 33 33 TYR H H 33 7.727 7.727 7.423 0.304 25437 150 1 1 . 1 1 34 34 ASP N N 34 125.197 125.197 119.523 5.674 25437 151 1 1 . 1 1 34 34 ASP HA H 34 3.524 3.524 4.678 -1.154 25437 152 1 1 . 1 1 34 34 ASP CA C 34 52.353 52.353 55.780 -3.427 25437 153 1 1 . 1 1 34 34 ASP CB C 34 37.720 37.720 42.292 -4.572 25437 154 1 1 . 1 1 34 34 ASP H H 34 8.630 8.630 8.820 -0.190 25437 155 1 1 . 1 1 35 35 PHE N N 35 115.803 115.803 113.783 2.020 25437 156 1 1 . 1 1 35 35 PHE HA H 35 5.131 5.131 5.594 -0.463 25437 157 1 1 . 1 1 35 35 PHE CA C 35 55.839 55.839 56.637 -0.798 25437 158 1 1 . 1 1 35 35 PHE CB C 35 40.751 40.751 42.844 -2.093 25437 159 1 1 . 1 1 35 35 PHE H H 35 7.250 7.250 8.268 -1.018 25437 160 1 1 . 1 1 36 36 THR N N 36 113.338 113.338 117.070 -3.732 25437 161 1 1 . 1 1 36 36 THR HA H 36 4.769 4.769 4.646 0.123 25437 162 1 1 . 1 1 36 36 THR CA C 36 58.833 58.833 59.246 -0.413 25437 163 1 1 . 1 1 36 36 THR CB C 36 71.387 71.387 70.410 0.977 25437 164 1 1 . 1 1 36 36 THR H H 36 9.026 9.026 8.998 0.028 25437 165 1 1 . 1 1 37 37 ILE N N 37 124.219 124.219 126.762 -2.543 25437 166 1 1 . 1 1 37 37 ILE HA H 37 4.676 4.676 4.313 0.363 25437 167 1 1 . 1 1 37 37 ILE CA C 37 58.395 58.395 61.909 -3.514 25437 168 1 1 . 1 1 37 37 ILE CB C 37 34.649 34.649 37.845 -3.196 25437 169 1 1 . 1 1 37 37 ILE H H 37 8.476 8.476 9.012 -0.536 25437 170 1 1 . 1 1 38 38 VAL N N 38 124.271 124.271 126.609 -2.338 25437 171 1 1 . 1 1 38 38 VAL HA H 38 3.981 3.981 4.223 -0.242 25437 172 1 1 . 1 1 38 38 VAL CA C 38 63.144 63.144 63.845 -0.701 25437 173 1 1 . 1 1 38 38 VAL CB C 38 32.658 32.658 33.138 -0.480 25437 174 1 1 . 1 1 38 38 VAL H H 38 8.640 8.640 8.781 -0.141 25437 175 1 1 . 1 1 39 39 GLN N N 39 115.210 115.210 118.120 -2.910 25437 176 1 1 . 1 1 39 39 GLN HA H 39 4.378 4.378 4.668 -0.290 25437 177 1 1 . 1 1 39 39 GLN CA C 39 56.197 56.197 55.189 1.008 25437 178 1 1 . 1 1 39 39 GLN CB C 39 33.463 33.463 31.725 1.738 25437 179 1 1 . 1 1 39 39 GLN H H 39 7.305 7.305 7.864 -0.559 25437 180 1 1 . 1 1 40 40 GLY N N 40 116.022 116.022 112.487 3.535 25437 181 1 1 . 1 1 40 40 GLY CA C 40 45.347 45.347 45.292 0.055 25437 182 1 1 . 1 1 40 40 GLY H H 40 8.851 8.851 8.960 -0.109 25437 183 1 1 . 1 1 41 41 ILE N N 41 132.358 132.358 120.466 11.892 25437 184 1 1 . 1 1 41 41 ILE HA H 41 4.715 4.715 4.440 0.275 25437 185 1 1 . 1 1 41 41 ILE CA C 41 61.575 61.575 59.095 2.480 25437 186 1 1 . 1 1 41 41 ILE CB C 41 38.774 38.774 41.975 -3.201 25437 187 1 1 . 1 1 41 41 ILE H H 41 8.776 8.776 7.895 0.881 25437 188 1 1 . 1 1 42 42 ARG N N 42 123.358 123.358 127.315 -3.957 25437 189 1 1 . 1 1 42 42 ARG HA H 42 4.725 4.725 4.611 0.114 25437 190 1 1 . 1 1 42 42 ARG CA C 42 54.576 54.576 55.772 -1.196 25437 191 1 1 . 1 1 42 42 ARG CB C 42 33.425 33.425 30.883 2.542 25437 192 1 1 . 1 1 42 42 ARG H H 42 7.154 7.154 8.704 -1.550 25437 193 1 1 . 1 1 43 43 THR N N 43 115.494 115.494 118.279 -2.785 25437 194 1 1 . 1 1 43 43 THR HA H 43 4.539 4.539 4.351 0.188 25437 195 1 1 . 1 1 43 43 THR CA C 43 61.022 61.022 61.706 -0.684 25437 196 1 1 . 1 1 43 43 THR CB C 43 70.577 70.577 69.617 0.960 25437 197 1 1 . 1 1 43 43 THR H H 43 8.519 8.519 8.485 0.034 25437 198 1 1 . 1 1 44 44 VAL N N 44 121.526 121.526 116.505 5.021 25437 199 1 1 . 1 1 44 44 VAL HA H 44 3.956 3.956 4.086 -0.130 25437 200 1 1 . 1 1 44 44 VAL CA C 44 63.977 63.977 64.035 -0.058 25437 201 1 1 . 1 1 44 44 VAL CB C 44 32.313 32.313 30.976 1.337 25437 202 1 1 . 1 1 44 44 VAL H H 44 8.516 8.516 8.277 0.239 25437 203 1 1 . 1 1 45 45 ALA N N 45 125.457 125.457 121.818 3.639 25437 204 1 1 . 1 1 45 45 ALA HA H 45 4.260 4.260 4.495 -0.235 25437 205 1 1 . 1 1 45 45 ALA CA C 45 53.278 53.278 53.156 0.122 25437 206 1 1 . 1 1 45 45 ALA CB C 45 18.641 18.641 19.564 -0.923 25437 207 1 1 . 1 1 45 45 ALA H H 45 8.311 8.311 7.979 0.332 25437 208 1 1 . 1 1 46 46 GLN N N 46 118.271 118.271 119.824 -1.553 25437 209 1 1 . 1 1 46 46 GLN HA H 46 4.232 4.232 4.112 0.120 25437 210 1 1 . 1 1 46 46 GLN CA C 46 56.717 56.717 58.331 -1.614 25437 211 1 1 . 1 1 46 46 GLN CB C 46 28.901 28.901 28.165 0.736 25437 212 1 1 . 1 1 46 46 GLN H H 46 8.109 8.109 7.758 0.351 25437 213 1 1 . 1 1 47 47 SER N N 47 116.127 116.127 114.574 1.553 25437 214 1 1 . 1 1 47 47 SER HA H 47 4.361 4.361 4.218 0.143 25437 215 1 1 . 1 1 47 47 SER CA C 47 59.082 59.082 60.509 -1.427 25437 216 1 1 . 1 1 47 47 SER CB C 47 64.009 64.009 62.994 1.015 25437 217 1 1 . 1 1 47 47 SER H H 47 8.199 8.199 8.172 0.027 25437 218 1 1 . 1 1 48 48 ALA N N 48 124.628 124.628 123.095 1.533 25437 219 1 1 . 1 1 48 48 ALA HA H 48 4.253 4.253 4.351 -0.098 25437 220 1 1 . 1 1 48 48 ALA CA C 48 53.325 53.325 54.102 -0.777 25437 221 1 1 . 1 1 48 48 ALA CB C 48 18.552 18.552 18.867 -0.315 25437 222 1 1 . 1 1 48 48 ALA H H 48 8.315 8.315 8.202 0.113 25437 223 1 1 . 1 1 49 49 GLN N N 49 119.160 119.160 118.335 0.825 25437 224 1 1 . 1 1 49 49 GLN HA H 49 4.232 4.232 4.177 0.055 25437 225 1 1 . 1 1 49 49 GLN CA C 49 56.850 56.850 57.338 -0.488 25437 226 1 1 . 1 1 49 49 GLN CB C 49 28.992 28.992 28.700 0.292 25437 227 1 1 . 1 1 49 49 GLN H H 49 8.153 8.153 7.850 0.303 25437 228 1 1 . 1 1 50 50 ASN N N 50 119.112 119.112 118.687 0.425 25437 229 1 1 . 1 1 50 50 ASN HA H 50 4.660 4.660 4.477 0.183 25437 230 1 1 . 1 1 50 50 ASN CA C 50 53.572 53.572 56.309 -2.737 25437 231 1 1 . 1 1 50 50 ASN CB C 50 38.376 38.376 38.762 -0.386 25437 232 1 1 . 1 1 50 50 ASN H H 50 8.205 8.205 8.054 0.151 25437 233 1 1 . 1 1 51 51 ILE N N 51 120.639 120.639 114.190 6.449 25437 234 1 1 . 1 1 51 51 ILE HA H 51 4.095 4.095 4.349 -0.254 25437 235 1 1 . 1 1 51 51 ILE CA C 51 61.954 61.954 60.314 1.640 25437 236 1 1 . 1 1 51 51 ILE CB C 51 38.414 38.414 36.345 2.069 25437 237 1 1 . 1 1 51 51 ILE H H 51 7.939 7.939 7.223 0.716 25437 238 1 1 . 1 1 52 52 ALA N N 52 126.459 126.459 123.234 3.225 25437 239 1 1 . 1 1 52 52 ALA HA H 52 4.246 4.246 3.996 0.250 25437 240 1 1 . 1 1 52 52 ALA CA C 52 53.189 53.189 54.207 -1.018 25437 241 1 1 . 1 1 52 52 ALA CB C 52 18.453 18.453 18.607 -0.154 25437 242 1 1 . 1 1 52 52 ALA H H 52 8.251 8.251 8.037 0.214 25437 243 1 1 . 1 1 53 53 ASN N N 53 116.801 116.801 116.894 -0.093 25437 244 1 1 . 1 1 53 53 ASN HA H 53 4.648 4.648 4.450 0.198 25437 245 1 1 . 1 1 53 53 ASN CA C 53 53.425 53.425 55.483 -2.058 25437 246 1 1 . 1 1 53 53 ASN CB C 53 38.600 38.600 38.885 -0.285 25437 247 1 1 . 1 1 53 53 ASN H H 53 8.230 8.230 8.117 0.113 25437 248 1 1 . 1 1 54 54 GLY N N 54 108.549 108.549 106.205 2.344 25437 249 1 1 . 1 1 54 54 GLY CA C 54 45.746 45.746 44.971 0.774 25437 250 1 1 . 1 1 54 54 GLY H H 54 8.191 8.191 7.892 0.299 25437 251 1 1 . 1 1 55 55 THR N N 55 112.528 112.528 119.267 -6.739 25437 252 1 1 . 1 1 55 55 THR HA H 55 4.282 4.282 4.121 0.161 25437 253 1 1 . 1 1 55 55 THR CA C 55 62.118 62.118 62.912 -0.794 25437 254 1 1 . 1 1 55 55 THR CB C 55 69.796 69.796 68.896 0.900 25437 255 1 1 . 1 1 55 55 THR H H 55 8.003 8.003 8.134 -0.131 25437 256 1 1 . 1 1 56 56 SER N N 56 116.986 116.986 122.866 -5.880 25437 257 1 1 . 1 1 56 56 SER HA H 56 4.362 4.362 4.308 0.054 25437 258 1 1 . 1 1 56 56 SER CA C 56 58.454 58.454 59.106 -0.652 25437 259 1 1 . 1 1 56 56 SER CB C 56 63.762 63.762 63.195 0.567 25437 260 1 1 . 1 1 56 56 SER H H 56 8.043 8.043 7.997 0.046 25437 261 1 1 . 1 1 57 57 PHE N N 57 121.981 121.981 122.784 -0.803 25437 262 1 1 . 1 1 57 57 PHE HA H 57 4.579 4.579 4.395 0.184 25437 263 1 1 . 1 1 57 57 PHE CA C 57 57.929 57.929 59.695 -1.766 25437 264 1 1 . 1 1 57 57 PHE CB C 57 39.068 39.068 38.899 0.169 25437 265 1 1 . 1 1 57 57 PHE H H 57 8.120 8.120 7.715 0.405 25437 266 1 1 . 1 1 58 58 LEU N N 58 121.621 121.621 118.632 2.989 25437 267 1 1 . 1 1 58 58 LEU HA H 58 4.174 4.174 4.512 -0.338 25437 268 1 1 . 1 1 58 58 LEU CA C 58 55.350 55.350 53.904 1.446 25437 269 1 1 . 1 1 58 58 LEU CB C 58 42.340 42.340 40.163 2.176 25437 270 1 1 . 1 1 58 58 LEU H H 58 7.806 7.806 7.477 0.329 25437 271 1 1 . 1 1 59 59 LYS N N 59 120.388 120.388 119.840 0.548 25437 272 1 1 . 1 1 59 59 LYS HA H 59 4.230 4.230 4.178 0.052 25437 273 1 1 . 1 1 59 59 LYS CA C 59 55.823 55.823 56.962 -1.139 25437 274 1 1 . 1 1 59 59 LYS CB C 59 32.616 32.616 32.022 0.594 25437 275 1 1 . 1 1 59 59 LYS H H 59 8.068 8.068 7.402 0.666 25437 276 1 1 . 1 1 60 60 ASP N N 60 121.094 121.094 123.385 -2.291 25437 277 1 1 . 1 1 60 60 ASP HA H 60 4.828 4.828 4.890 -0.062 25437 278 1 1 . 1 1 60 60 ASP CA C 60 53.698 53.698 52.550 1.148 25437 279 1 1 . 1 1 60 60 ASP CB C 60 41.652 41.652 42.060 -0.408 25437 280 1 1 . 1 1 60 60 ASP H H 60 7.959 7.959 8.272 -0.313 25437 281 1 1 . 1 1 61 61 PRO HA H 61 4.388 4.388 4.529 -0.141 25437 282 1 1 . 1 1 61 61 PRO CA C 61 63.263 63.263 63.085 0.178 25437 283 1 1 . 1 1 61 61 PRO CB C 61 31.697 31.697 30.380 1.317 25437 284 1 1 . 1 1 62 62 SER N N 62 115.353 115.353 117.002 -1.649 25437 285 1 1 . 1 1 62 62 SER HA H 62 4.365 4.365 4.545 -0.180 25437 286 1 1 . 1 1 62 62 SER CA C 62 59.258 59.258 57.199 2.059 25437 287 1 1 . 1 1 62 62 SER CB C 62 63.634 63.634 63.805 -0.171 25437 288 1 1 . 1 1 62 62 SER H H 62 8.420 8.420 8.292 0.128 25437 289 1 1 . 1 1 63 63 LYS N N 63 122.360 122.360 121.261 1.099 25437 290 1 1 . 1 1 63 63 LYS HA H 63 4.266 4.266 4.146 0.120 25437 291 1 1 . 1 1 63 63 LYS CA C 63 56.628 56.628 58.012 -1.384 25437 292 1 1 . 1 1 63 63 LYS CB C 63 29.327 29.327 32.446 -3.119 25437 293 1 1 . 1 1 63 63 LYS H H 63 8.405 8.405 8.548 -0.143 25437 294 1 1 . 1 1 65 65 LYS N N 65 125.418 125.418 119.280 6.138 25437 295 1 1 . 1 1 65 65 LYS HA H 65 4.146 4.146 4.656 -0.510 25437 296 1 1 . 1 1 65 65 LYS CA C 65 63.350 63.350 56.301 7.049 25437 297 1 1 . 1 1 65 65 LYS CB C 65 31.891 31.891 32.816 -0.924 25437 298 1 1 . 1 1 65 65 LYS H H 65 8.369 8.369 8.967 -0.598 25437 299 1 1 . 1 1 66 66 HIS N N 66 121.236 121.236 119.439 1.797 25437 300 1 1 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.406 0.139 25437 301 1 1 . 1 1 66 66 HIS CA C 66 59.256 59.256 59.245 0.011 25437 302 1 1 . 1 1 66 66 HIS CB C 66 28.619 28.619 29.587 -0.968 25437 303 1 1 . 1 1 66 66 HIS H H 66 8.758 8.758 8.614 0.144 25437 304 1 1 . 1 1 67 67 ILE N N 67 120.137 120.137 117.841 2.296 25437 305 1 1 . 1 1 67 67 ILE HA H 67 4.372 4.372 3.926 0.446 25437 306 1 1 . 1 1 67 67 ILE CA C 67 63.961 63.961 63.200 0.761 25437 307 1 1 . 1 1 67 67 ILE CB C 67 37.935 37.935 36.194 1.741 25437 308 1 1 . 1 1 67 67 ILE H H 67 7.849 7.849 8.005 -0.156 25437 309 1 1 . 1 1 68 68 THR N N 68 104.067 104.067 111.675 -7.608 25437 310 1 1 . 1 1 68 68 THR HA H 68 4.397 4.397 4.315 0.082 25437 311 1 1 . 1 1 68 68 THR CA C 68 61.343 61.343 62.578 -1.235 25437 312 1 1 . 1 1 68 68 THR CB C 68 68.473 68.473 69.263 -0.790 25437 313 1 1 . 1 1 68 68 THR H H 68 7.168 7.168 7.847 -0.679 25437 314 1 1 . 1 1 69 69 GLY N N 69 107.308 107.308 110.404 -3.096 25437 315 1 1 . 1 1 69 69 GLY CA C 69 46.665 46.665 46.086 0.579 25437 316 1 1 . 1 1 69 69 GLY H H 69 7.169 7.169 7.723 -0.554 25437 317 1 1 . 1 1 70 70 ASP N N 70 114.629 114.629 117.569 -2.940 25437 318 1 1 . 1 1 70 70 ASP HA H 70 4.734 4.734 4.664 0.070 25437 319 1 1 . 1 1 70 70 ASP CA C 70 54.627 54.627 53.087 1.540 25437 320 1 1 . 1 1 70 70 ASP CB C 70 44.451 44.451 41.281 3.170 25437 321 1 1 . 1 1 70 70 ASP H H 70 7.644 7.644 7.694 -0.050 25437 322 1 1 . 1 1 71 71 ALA N N 71 118.917 118.917 119.418 -0.501 25437 323 1 1 . 1 1 71 71 ALA HA H 71 5.062 5.062 5.042 0.020 25437 324 1 1 . 1 1 71 71 ALA CA C 71 51.498 51.498 51.291 0.207 25437 325 1 1 . 1 1 71 71 ALA CB C 71 21.994 21.994 21.862 0.132 25437 326 1 1 . 1 1 71 71 ALA H H 71 7.529 7.529 7.272 0.257 25437 327 1 1 . 1 1 72 72 ILE N N 72 110.818 110.818 113.559 -2.741 25437 328 1 1 . 1 1 72 72 ILE HA H 72 5.249 5.249 4.517 0.732 25437 329 1 1 . 1 1 72 72 ILE CA C 72 58.821 58.821 60.469 -1.648 25437 330 1 1 . 1 1 72 72 ILE CB C 72 43.709 43.709 42.093 1.616 25437 331 1 1 . 1 1 72 72 ILE H H 72 8.449 8.449 8.812 -0.362 25437 332 1 1 . 1 1 73 73 ASP N N 73 117.790 117.790 121.141 -3.351 25437 333 1 1 . 1 1 73 73 ASP HA H 73 6.094 6.094 5.477 0.617 25437 334 1 1 . 1 1 73 73 ASP CA C 73 52.090 52.090 53.381 -1.291 25437 335 1 1 . 1 1 73 73 ASP CB C 73 42.655 42.655 45.253 -2.598 25437 336 1 1 . 1 1 73 73 ASP H H 73 8.442 8.442 8.996 -0.554 25437 337 1 1 . 1 1 74 74 PHE N N 74 122.479 122.479 122.429 0.050 25437 338 1 1 . 1 1 74 74 PHE HA H 74 6.173 6.173 5.481 0.692 25437 339 1 1 . 1 1 74 74 PHE CA C 74 54.775 54.775 55.696 -0.921 25437 340 1 1 . 1 1 74 74 PHE CB C 74 44.115 44.115 42.607 1.508 25437 341 1 1 . 1 1 74 74 PHE H H 74 9.463 9.463 8.551 0.912 25437 342 1 1 . 1 1 75 75 ALA N N 75 118.862 118.862 121.304 -2.442 25437 343 1 1 . 1 1 75 75 ALA HA H 75 4.453 4.453 4.345 0.108 25437 344 1 1 . 1 1 75 75 ALA CA C 75 50.134 50.134 49.064 1.070 25437 345 1 1 . 1 1 75 75 ALA CB C 75 21.020 21.020 21.373 -0.353 25437 346 1 1 . 1 1 75 75 ALA H H 75 8.575 8.575 9.263 -0.688 25437 347 1 1 . 1 1 76 76 PRO HA H 76 4.466 4.466 4.819 -0.353 25437 348 1 1 . 1 1 76 76 PRO CA C 76 62.353 62.353 63.016 -0.663 25437 349 1 1 . 1 1 76 76 PRO CB C 76 32.135 32.135 31.290 0.845 25437 350 1 1 . 1 1 77 77 TYR N N 77 126.211 126.211 126.123 0.088 25437 351 1 1 . 1 1 77 77 TYR HA H 77 4.835 4.835 4.630 0.205 25437 352 1 1 . 1 1 77 77 TYR CA C 77 56.830 56.830 59.025 -2.195 25437 353 1 1 . 1 1 77 77 TYR CB C 77 40.384 40.384 40.615 -0.231 25437 354 1 1 . 1 1 77 77 TYR H H 77 8.357 8.357 8.543 -0.186 25437 355 1 1 . 1 1 78 78 ILE N N 78 124.613 124.613 124.205 0.408 25437 356 1 1 . 1 1 78 78 ILE HA H 78 4.210 4.210 4.342 -0.132 25437 357 1 1 . 1 1 78 78 ILE CA C 78 59.941 59.941 60.400 -0.459 25437 358 1 1 . 1 1 78 78 ILE CB C 78 40.652 40.652 42.255 -1.603 25437 359 1 1 . 1 1 78 78 ILE H H 78 8.334 8.334 8.960 -0.626 25437 360 1 1 . 1 1 79 79 ASN N N 79 126.361 126.361 125.929 0.432 25437 361 1 1 . 1 1 79 79 ASN HA H 79 4.339 4.339 4.471 -0.132 25437 362 1 1 . 1 1 79 79 ASN CA C 79 53.937 53.937 53.543 0.394 25437 363 1 1 . 1 1 79 79 ASN CB C 79 36.887 36.887 37.881 -0.994 25437 364 1 1 . 1 1 79 79 ASN H H 79 9.444 9.444 9.122 0.322 25437 365 1 1 . 1 1 80 80 GLY N N 80 102.068 102.068 102.669 -0.601 25437 366 1 1 . 1 1 80 80 GLY CA C 80 45.663 45.663 45.597 0.066 25437 367 1 1 . 1 1 80 80 GLY H H 80 8.240 8.240 8.734 -0.494 25437 368 1 1 . 1 1 81 81 LYS N N 81 117.260 117.260 116.341 0.919 25437 369 1 1 . 1 1 81 81 LYS HA H 81 4.534 4.534 4.452 0.082 25437 370 1 1 . 1 1 81 81 LYS CA C 81 54.226 54.226 53.804 0.422 25437 371 1 1 . 1 1 81 81 LYS CB C 81 35.655 35.655 35.146 0.509 25437 372 1 1 . 1 1 81 81 LYS H H 81 7.046 7.046 7.513 -0.467 25437 373 1 1 . 1 1 82 82 ILE N N 82 122.347 122.347 120.575 1.772 25437 374 1 1 . 1 1 82 82 ILE HA H 82 4.091 4.091 3.344 0.747 25437 375 1 1 . 1 1 82 82 ILE CA C 82 62.621 62.621 62.137 0.484 25437 376 1 1 . 1 1 82 82 ILE CB C 82 37.833 37.833 37.766 0.067 25437 377 1 1 . 1 1 82 82 ILE H H 82 8.418 8.418 8.270 0.148 25437 378 1 1 . 1 1 83 83 ASP N N 83 128.498 128.498 127.050 1.448 25437 379 1 1 . 1 1 83 83 ASP HA H 83 4.808 4.808 4.755 0.053 25437 380 1 1 . 1 1 83 83 ASP CA C 83 51.619 51.619 52.986 -1.367 25437 381 1 1 . 1 1 83 83 ASP CB C 83 41.079 41.079 39.995 1.084 25437 382 1 1 . 1 1 83 83 ASP H H 83 8.028 8.028 8.132 -0.104 25437 383 1 1 . 1 1 84 84 TRP N N 84 121.807 121.807 122.930 -1.123 25437 384 1 1 . 1 1 84 84 TRP HA H 84 4.574 4.574 4.583 -0.009 25437 385 1 1 . 1 1 84 84 TRP CA C 84 58.456 58.456 58.215 0.241 25437 386 1 1 . 1 1 84 84 TRP CB C 84 30.177 30.177 30.502 -0.325 25437 387 1 1 . 1 1 84 84 TRP H H 84 8.081 8.081 7.852 0.229 25437 388 1 1 . 1 1 85 85 ASN N N 85 113.227 113.227 115.052 -1.825 25437 389 1 1 . 1 1 85 85 ASN HA H 85 4.975 4.975 4.660 0.315 25437 390 1 1 . 1 1 85 85 ASN CA C 85 53.430 53.430 53.342 0.088 25437 391 1 1 . 1 1 85 85 ASN CB C 85 40.162 40.162 39.149 1.013 25437 392 1 1 . 1 1 85 85 ASN H H 85 8.386 8.386 8.107 0.279 25437 393 1 1 . 1 1 86 86 ASP N N 86 118.821 118.821 122.271 -3.450 25437 394 1 1 . 1 1 86 86 ASP HA H 86 4.813 4.813 4.693 0.120 25437 395 1 1 . 1 1 86 86 ASP CA C 86 52.255 52.255 53.461 -1.206 25437 396 1 1 . 1 1 86 86 ASP CB C 86 37.613 37.613 40.033 -2.420 25437 397 1 1 . 1 1 86 86 ASP H H 86 7.405 7.405 7.916 -0.511 25437 398 1 1 . 1 1 87 87 LEU N N 87 127.177 127.177 122.659 4.518 25437 399 1 1 . 1 1 87 87 LEU HA H 87 4.055 4.055 4.072 -0.017 25437 400 1 1 . 1 1 87 87 LEU CA C 87 58.321 58.321 56.836 1.485 25437 401 1 1 . 1 1 87 87 LEU CB C 87 40.887 40.887 41.697 -0.810 25437 402 1 1 . 1 1 87 87 LEU H H 87 8.274 8.274 7.687 0.587 25437 403 1 1 . 1 1 88 88 GLU N N 88 114.132 114.132 120.022 -5.890 25437 404 1 1 . 1 1 88 88 GLU HA H 88 3.938 3.938 4.053 -0.115 25437 405 1 1 . 1 1 88 88 GLU CA C 88 59.437 59.437 59.557 -0.120 25437 406 1 1 . 1 1 88 88 GLU CB C 88 27.987 27.987 29.526 -1.539 25437 407 1 1 . 1 1 88 88 GLU H H 88 8.257 8.257 8.283 -0.026 25437 408 1 1 . 1 1 89 89 ALA N N 89 122.075 122.075 121.663 0.412 25437 409 1 1 . 1 1 89 89 ALA HA H 89 3.799 3.799 4.380 -0.581 25437 410 1 1 . 1 1 89 89 ALA CA C 89 54.703 54.703 54.904 -0.201 25437 411 1 1 . 1 1 89 89 ALA CB C 89 17.635 17.635 18.201 -0.566 25437 412 1 1 . 1 1 89 89 ALA H H 89 7.418 7.418 7.851 -0.433 25437 413 1 1 . 1 1 90 90 PHE N N 90 116.551 116.551 118.521 -1.970 25437 414 1 1 . 1 1 90 90 PHE HA H 90 4.025 4.025 4.308 -0.283 25437 415 1 1 . 1 1 90 90 PHE CA C 90 64.150 64.150 60.236 3.914 25437 416 1 1 . 1 1 90 90 PHE CB C 90 38.965 38.965 38.887 0.078 25437 417 1 1 . 1 1 90 90 PHE H H 90 7.777 7.777 7.733 0.044 25437 418 1 1 . 1 1 91 91 TRP N N 91 119.390 119.390 121.420 -2.030 25437 419 1 1 . 1 1 91 91 TRP HA H 91 4.578 4.578 4.203 0.375 25437 420 1 1 . 1 1 91 91 TRP CA C 91 59.217 59.217 61.071 -1.853 25437 421 1 1 . 1 1 91 91 TRP CB C 91 29.802 29.802 28.965 0.837 25437 422 1 1 . 1 1 91 91 TRP H H 91 7.821 7.821 7.893 -0.072 25437 423 1 1 . 1 1 92 92 ALA N N 92 121.275 121.275 120.961 0.314 25437 424 1 1 . 1 1 92 92 ALA HA H 92 4.124 4.124 3.987 0.137 25437 425 1 1 . 1 1 92 92 ALA CA C 92 55.229 55.229 54.588 0.641 25437 426 1 1 . 1 1 92 92 ALA CB C 92 18.870 18.870 18.183 0.687 25437 427 1 1 . 1 1 92 92 ALA H H 92 8.242 8.242 7.593 0.649 25437 428 1 1 . 1 1 93 93 VAL N N 93 120.454 120.454 118.617 1.837 25437 429 1 1 . 1 1 93 93 VAL HA H 93 3.600 3.600 3.726 -0.126 25437 430 1 1 . 1 1 93 93 VAL CA C 93 66.424 66.424 66.185 0.239 25437 431 1 1 . 1 1 93 93 VAL CB C 93 30.676 30.676 32.147 -1.471 25437 432 1 1 . 1 1 93 93 VAL H H 93 8.259 8.259 8.161 0.098 25437 433 1 1 . 1 1 94 94 LYS N N 94 122.098 122.098 120.526 1.572 25437 434 1 1 . 1 1 94 94 LYS HA H 94 3.690 3.690 3.737 -0.047 25437 435 1 1 . 1 1 94 94 LYS CA C 94 60.959 60.959 59.531 1.428 25437 436 1 1 . 1 1 94 94 LYS CB C 94 31.484 31.484 31.693 -0.209 25437 437 1 1 . 1 1 94 94 LYS H H 94 8.382 8.382 8.187 0.195 25437 438 1 1 . 1 1 95 95 LYS N N 95 118.030 118.030 118.673 -0.643 25437 439 1 1 . 1 1 95 95 LYS HA H 95 3.958 3.958 4.036 -0.078 25437 440 1 1 . 1 1 95 95 LYS CA C 95 59.212 59.212 58.902 0.310 25437 441 1 1 . 1 1 95 95 LYS CB C 95 31.219 31.219 31.931 -0.712 25437 442 1 1 . 1 1 95 95 LYS H H 95 7.957 7.957 7.779 0.178 25437 443 1 1 . 1 1 96 96 ALA N N 96 124.359 124.359 120.575 3.784 25437 444 1 1 . 1 1 96 96 ALA HA H 96 4.229 4.229 4.122 0.107 25437 445 1 1 . 1 1 96 96 ALA CA C 96 55.422 55.422 54.696 0.726 25437 446 1 1 . 1 1 96 96 ALA CB C 96 17.148 17.148 18.353 -1.205 25437 447 1 1 . 1 1 96 96 ALA H H 96 7.668 7.668 7.582 0.086 25437 448 1 1 . 1 1 97 97 PHE N N 97 117.446 117.446 119.182 -1.736 25437 449 1 1 . 1 1 97 97 PHE HA H 97 3.883 3.883 4.153 -0.270 25437 450 1 1 . 1 1 97 97 PHE CA C 97 63.187 63.187 61.959 1.228 25437 451 1 1 . 1 1 97 97 PHE CB C 97 40.401 40.401 39.279 1.121 25437 452 1 1 . 1 1 97 97 PHE H H 97 8.369 8.369 8.161 0.208 25437 453 1 1 . 1 1 98 98 GLU N N 98 119.148 119.148 118.197 0.951 25437 454 1 1 . 1 1 98 98 GLU HA H 98 4.140 4.140 3.955 0.185 25437 455 1 1 . 1 1 98 98 GLU CA C 98 59.610 59.610 58.961 0.649 25437 456 1 1 . 1 1 98 98 GLU CB C 98 29.444 29.444 28.964 0.480 25437 457 1 1 . 1 1 98 98 GLU H H 98 8.821 8.821 8.184 0.637 25437 458 1 1 . 1 1 99 99 GLN N N 99 120.727 120.727 119.080 1.647 25437 459 1 1 . 1 1 99 99 GLN HA H 99 4.061 4.061 4.157 -0.096 25437 460 1 1 . 1 1 99 99 GLN CA C 99 59.130 59.130 58.154 0.976 25437 461 1 1 . 1 1 99 99 GLN CB C 99 27.524 27.524 28.837 -1.313 25437 462 1 1 . 1 1 99 99 GLN H H 99 8.436 8.436 7.899 0.537 25437 463 1 1 . 1 1 100 100 ALA N N 100 122.603 122.603 121.889 0.714 25437 464 1 1 . 1 1 100 100 ALA HA H 100 3.886 3.886 4.382 -0.496 25437 465 1 1 . 1 1 100 100 ALA CA C 100 55.399 55.399 54.519 0.880 25437 466 1 1 . 1 1 100 100 ALA CB C 100 19.472 19.472 18.240 1.232 25437 467 1 1 . 1 1 100 100 ALA H H 100 8.433 8.433 8.169 0.264 25437 468 1 1 . 1 1 101 101 GLY N N 101 104.253 104.253 106.383 -2.130 25437 469 1 1 . 1 1 101 101 GLY CA C 101 47.843 47.843 46.628 1.215 25437 470 1 1 . 1 1 101 101 GLY H H 101 9.035 9.035 8.084 0.951 25437 471 1 1 . 1 1 102 102 LYS N N 102 121.912 121.912 121.136 0.776 25437 472 1 1 . 1 1 102 102 LYS HA H 102 4.116 4.116 4.107 0.009 25437 473 1 1 . 1 1 102 102 LYS CA C 102 59.314 59.314 58.829 0.485 25437 474 1 1 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.135 0.044 25437 475 1 1 . 1 1 102 102 LYS H H 102 7.928 7.928 7.442 0.486 25437 476 1 1 . 1 1 103 103 GLU N N 103 119.382 119.382 119.065 0.317 25437 477 1 1 . 1 1 103 103 GLU HA H 103 3.989 3.989 4.184 -0.195 25437 478 1 1 . 1 1 103 103 GLU CA C 103 59.093 59.093 58.295 0.798 25437 479 1 1 . 1 1 103 103 GLU CB C 103 30.127 30.127 29.562 0.565 25437 480 1 1 . 1 1 103 103 GLU H H 103 8.406 8.406 7.686 0.720 25437 481 1 1 . 1 1 104 104 LEU N N 104 115.551 115.551 117.995 -2.444 25437 482 1 1 . 1 1 104 104 LEU HA H 104 4.360 4.360 4.287 0.073 25437 483 1 1 . 1 1 104 104 LEU CA C 104 55.185 55.185 55.230 -0.045 25437 484 1 1 . 1 1 104 104 LEU CB C 104 43.105 43.105 42.451 0.654 25437 485 1 1 . 1 1 104 104 LEU H H 104 7.999 7.999 8.029 -0.030 25437 486 1 1 . 1 1 105 105 GLY N N 105 110.561 110.561 105.262 5.299 25437 487 1 1 . 1 1 105 105 GLY CA C 105 46.480 46.480 45.362 1.118 25437 488 1 1 . 1 1 105 105 GLY H H 105 7.898 7.898 7.731 0.167 25437 489 1 1 . 1 1 106 106 ILE N N 106 121.745 121.745 120.328 1.417 25437 490 1 1 . 1 1 106 106 ILE HA H 106 4.227 4.227 3.872 0.355 25437 491 1 1 . 1 1 106 106 ILE CA C 106 59.717 59.717 61.867 -2.151 25437 492 1 1 . 1 1 106 106 ILE CB C 106 41.096 41.096 38.820 2.276 25437 493 1 1 . 1 1 106 106 ILE H H 106 8.428 8.428 7.765 0.663 25437 494 1 1 . 1 1 107 107 LYS N N 107 127.736 127.736 127.672 0.064 25437 495 1 1 . 1 1 107 107 LYS HA H 107 4.275 4.275 4.161 0.114 25437 496 1 1 . 1 1 107 107 LYS CA C 107 57.224 57.224 56.751 0.473 25437 497 1 1 . 1 1 107 107 LYS CB C 107 32.752 32.752 31.699 1.053 25437 498 1 1 . 1 1 107 107 LYS H H 107 8.489 8.489 8.452 0.037 25437 499 1 1 . 1 1 108 108 LEU N N 108 122.881 122.881 125.580 -2.699 25437 500 1 1 . 1 1 108 108 LEU HA H 108 5.235 5.235 4.649 0.586 25437 501 1 1 . 1 1 108 108 LEU CA C 108 53.287 53.287 54.074 -0.787 25437 502 1 1 . 1 1 108 108 LEU CB C 108 47.016 47.016 45.321 1.696 25437 503 1 1 . 1 1 108 108 LEU H H 108 8.049 8.049 8.115 -0.066 25437 504 1 1 . 1 1 109 109 ARG N N 109 120.726 120.726 124.229 -3.503 25437 505 1 1 . 1 1 109 109 ARG HA H 109 4.438 4.438 4.112 0.326 25437 506 1 1 . 1 1 109 109 ARG CA C 109 55.193 55.193 55.788 -0.595 25437 507 1 1 . 1 1 109 109 ARG CB C 109 33.519 33.519 33.931 -0.412 25437 508 1 1 . 1 1 109 109 ARG H H 109 8.736 8.736 7.896 0.840 25437 509 1 1 . 1 1 110 110 PHE N N 110 121.516 121.516 120.638 0.878 25437 510 1 1 . 1 1 110 110 PHE HA H 110 5.303 5.303 5.026 0.277 25437 511 1 1 . 1 1 110 110 PHE CA C 110 56.644 56.644 55.549 1.095 25437 512 1 1 . 1 1 110 110 PHE CB C 110 40.602 40.602 40.584 0.018 25437 513 1 1 . 1 1 110 110 PHE H H 110 8.707 8.707 8.148 0.559 25437 514 1 1 . 1 1 111 111 GLY N N 111 108.992 108.992 109.207 -0.215 25437 515 1 1 . 1 1 111 111 GLY CA C 111 45.604 45.604 44.636 0.967 25437 516 1 1 . 1 1 111 111 GLY H H 111 7.819 7.819 9.059 -1.240 25437 517 1 1 . 1 1 112 112 ALA N N 112 111.448 111.448 124.302 -12.854 25437 518 1 1 . 1 1 112 112 ALA HA H 112 3.858 3.858 4.626 -0.768 25437 519 1 1 . 1 1 112 112 ALA CA C 112 52.083 52.083 53.073 -0.990 25437 520 1 1 . 1 1 112 112 ALA CB C 112 18.655 18.655 20.128 -1.473 25437 521 1 1 . 1 1 112 112 ALA H H 112 7.945 7.945 7.756 0.189 25437 522 1 1 . 1 1 113 113 ASP N N 113 106.770 106.770 119.491 -12.721 25437 523 1 1 . 1 1 113 113 ASP HA H 113 5.157 5.157 4.478 0.679 25437 524 1 1 . 1 1 113 113 ASP CA C 113 52.285 52.285 56.557 -4.272 25437 525 1 1 . 1 1 113 113 ASP CB C 113 41.465 41.465 41.327 0.138 25437 526 1 1 . 1 1 113 113 ASP H H 113 7.000 7.000 8.475 -1.475 25437 527 1 1 . 1 1 114 114 TRP N N 114 119.829 119.829 121.133 -1.304 25437 528 1 1 . 1 1 114 114 TRP HA H 114 4.184 4.184 4.290 -0.106 25437 529 1 1 . 1 1 114 114 TRP CA C 114 61.455 61.455 61.122 0.333 25437 530 1 1 . 1 1 114 114 TRP CB C 114 26.427 26.427 29.445 -3.018 25437 531 1 1 . 1 1 114 114 TRP H H 114 7.589 7.589 8.600 -1.011 25437 532 1 1 . 1 1 115 115 ASN N N 115 117.900 117.900 116.050 1.850 25437 533 1 1 . 1 1 115 115 ASN HA H 115 4.548 4.548 4.085 0.463 25437 534 1 1 . 1 1 115 115 ASN CA C 115 55.955 55.955 54.455 1.500 25437 535 1 1 . 1 1 115 115 ASN CB C 115 36.818 36.818 37.585 -0.767 25437 536 1 1 . 1 1 115 115 ASN H H 115 9.503 9.503 8.312 1.191 25437 537 1 1 . 1 1 116 116 ALA N N 116 123.758 123.758 122.492 1.266 25437 538 1 1 . 1 1 116 116 ALA HA H 116 4.181 4.181 3.859 0.322 25437 539 1 1 . 1 1 116 116 ALA CA C 116 53.111 53.111 54.064 -0.953 25437 540 1 1 . 1 1 116 116 ALA CB C 116 16.596 16.596 17.994 -1.398 25437 541 1 1 . 1 1 116 116 ALA H H 116 8.079 8.079 7.489 0.590 25437 542 1 1 . 1 1 117 117 SER N N 117 116.009 116.009 113.247 2.762 25437 543 1 1 . 1 1 117 117 SER HA H 117 4.417 4.417 4.137 0.280 25437 544 1 1 . 1 1 117 117 SER CA C 117 59.433 59.433 60.324 -0.891 25437 545 1 1 . 1 1 117 117 SER CB C 117 65.026 65.026 63.441 1.585 25437 546 1 1 . 1 1 117 117 SER H H 117 9.460 9.460 7.698 1.762 25437 547 1 1 . 1 1 118 118 GLY N N 118 115.031 115.031 108.867 6.164 25437 548 1 1 . 1 1 118 118 GLY CA C 118 45.197 45.197 45.273 -0.076 25437 549 1 1 . 1 1 118 118 GLY H H 118 10.733 10.733 7.771 2.962 25437 550 1 1 . 1 1 119 119 ASP N N 119 116.435 116.435 120.275 -3.840 25437 551 1 1 . 1 1 119 119 ASP HA H 119 4.590 4.590 4.613 -0.023 25437 552 1 1 . 1 1 119 119 ASP CA C 119 53.181 53.181 52.489 0.692 25437 553 1 1 . 1 1 119 119 ASP CB C 119 43.864 43.864 42.737 1.127 25437 554 1 1 . 1 1 119 119 ASP H H 119 7.770 7.770 7.838 -0.068 25437 555 1 1 . 1 1 120 120 TYR N N 120 120.253 120.253 117.727 2.526 25437 556 1 1 . 1 1 120 120 TYR HA H 120 6.088 6.088 4.453 1.635 25437 557 1 1 . 1 1 120 120 TYR CA C 120 56.003 56.003 58.361 -2.358 25437 558 1 1 . 1 1 120 120 TYR CB C 120 40.371 40.371 37.610 2.761 25437 559 1 1 . 1 1 120 120 TYR H H 120 6.801 6.801 8.606 -1.805 25437 560 1 1 . 1 1 121 121 HIS HA H 121 4.537 4.537 4.463 0.074 25437 561 1 1 . 1 1 121 121 HIS CA C 121 59.002 59.002 57.626 1.376 25437 562 1 1 . 1 1 121 121 HIS CB C 121 27.950 27.950 30.269 -2.319 25437 563 1 1 . 1 1 122 122 ASP N N 122 111.622 111.622 117.836 -6.214 25437 564 1 1 . 1 1 122 122 ASP HA H 122 4.815 4.815 4.850 -0.035 25437 565 1 1 . 1 1 122 122 ASP CA C 122 51.612 51.612 55.940 -4.328 25437 566 1 1 . 1 1 122 122 ASP CB C 122 36.980 36.980 41.014 -4.034 25437 567 1 1 . 1 1 122 122 ASP H H 122 8.154 8.154 8.548 -0.394 25437 568 1 1 . 1 1 124 124 ILE N N 124 119.763 119.763 115.676 4.087 25437 569 1 1 . 1 1 124 124 ILE HA H 124 3.843 3.843 3.853 -0.010 25437 570 1 1 . 1 1 124 124 ILE CA C 124 64.714 64.714 62.725 1.988 25437 571 1 1 . 1 1 124 124 ILE CB C 124 36.859 36.859 37.330 -0.471 25437 572 1 1 . 1 1 124 124 ILE H H 124 7.639 7.639 8.288 -0.649 25437 573 1 1 . 1 1 125 125 LYS N N 125 121.010 121.010 117.650 3.360 25437 574 1 1 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.071 0.038 25437 575 1 1 . 1 1 125 125 LYS CA C 125 59.241 59.241 57.562 1.679 25437 576 1 1 . 1 1 125 125 LYS CB C 125 31.985 31.985 31.644 0.341 25437 577 1 1 . 1 1 125 125 LYS H H 125 7.739 7.739 8.107 -0.368 25437 578 1 1 . 1 1 126 126 ARG N N 126 115.276 115.276 118.211 -2.935 25437 579 1 1 . 1 1 126 126 ARG HA H 126 4.338 4.338 4.265 0.073 25437 580 1 1 . 1 1 126 126 ARG CA C 126 57.189 57.189 56.512 0.677 25437 581 1 1 . 1 1 126 126 ARG CB C 126 31.015 31.015 31.133 -0.118 25437 582 1 1 . 1 1 126 126 ARG H H 126 7.904 7.904 7.524 0.380 25437 583 1 1 . 1 1 127 127 GLY N N 127 107.767 107.767 107.201 0.566 25437 584 1 1 . 1 1 127 127 GLY CA C 127 45.822 45.822 44.886 0.936 25437 585 1 1 . 1 1 127 127 GLY H H 127 7.912 7.912 7.742 0.170 25437 586 1 1 . 1 1 128 128 THR N N 128 107.570 107.570 114.145 -6.575 25437 587 1 1 . 1 1 128 128 THR HA H 128 4.252 4.252 4.502 -0.250 25437 588 1 1 . 1 1 128 128 THR CA C 128 60.620 60.620 59.673 0.947 25437 589 1 1 . 1 1 128 128 THR CB C 128 69.224 69.224 70.672 -1.448 25437 590 1 1 . 1 1 128 128 THR H H 128 8.121 8.121 7.423 0.698 25437 591 1 1 . 1 1 129 129 TYR N N 129 123.143 123.143 124.441 -1.298 25437 592 1 1 . 1 1 129 129 TYR HA H 129 4.173 4.173 4.607 -0.434 25437 593 1 1 . 1 1 129 129 TYR CA C 129 61.448 61.448 57.888 3.560 25437 594 1 1 . 1 1 129 129 TYR CB C 129 38.796 38.796 38.961 -0.164 25437 595 1 1 . 1 1 129 129 TYR H H 129 7.209 7.209 8.742 -1.533 25437 596 1 1 . 1 1 130 130 ASP N N 130 117.930 117.930 122.046 -4.116 25437 597 1 1 . 1 1 130 130 ASP HA H 130 4.641 4.641 4.393 0.248 25437 598 1 1 . 1 1 130 130 ASP CA C 130 53.440 53.440 57.004 -3.564 25437 599 1 1 . 1 1 130 130 ASP CB C 130 43.221 43.221 40.836 2.385 25437 600 1 1 . 1 1 130 130 ASP H H 130 8.216 8.216 8.491 -0.275 25437 601 1 1 . 1 1 132 132 GLY N N 132 107.481 107.481 110.117 -2.636 25437 602 1 1 . 1 1 132 132 GLY CA C 132 44.013 44.013 45.513 -1.500 25437 603 1 1 . 1 1 132 132 GLY H H 132 8.304 8.304 7.628 0.676 25437 604 1 1 . 1 1 133 133 HIS N N 133 117.609 117.609 123.207 -5.598 25437 605 1 1 . 1 1 133 133 HIS HA H 133 5.430 5.430 4.554 0.876 25437 606 1 1 . 1 1 133 133 HIS CA C 133 57.155 57.155 56.435 0.720 25437 607 1 1 . 1 1 133 133 HIS CB C 133 31.667 31.667 29.602 2.065 25437 608 1 1 . 1 1 133 133 HIS H H 133 6.942 6.942 7.402 -0.460 25437 609 1 1 . 1 1 134 134 VAL N N 134 133.201 133.201 122.759 10.442 25437 610 1 1 . 1 1 134 134 VAL HA H 134 4.254 4.254 4.572 -0.318 25437 611 1 1 . 1 1 134 134 VAL CA C 134 61.676 61.676 59.834 1.842 25437 612 1 1 . 1 1 134 134 VAL CB C 134 34.775 34.775 32.739 2.036 25437 613 1 1 . 1 1 134 134 VAL H H 134 9.127 9.127 8.140 0.987 25437 614 1 1 . 1 1 135 135 GLU N N 135 119.904 119.904 124.061 -4.157 25437 615 1 1 . 1 1 135 135 GLU HA H 135 5.458 5.458 5.054 0.404 25437 616 1 1 . 1 1 135 135 GLU CA C 135 52.126 52.126 53.674 -1.548 25437 617 1 1 . 1 1 135 135 GLU CB C 135 34.550 34.550 33.680 0.870 25437 618 1 1 . 1 1 135 135 GLU H H 135 8.501 8.501 7.801 0.700 25437 619 1 1 . 1 1 136 136 LEU N N 136 119.357 119.357 121.946 -2.589 25437 620 1 1 . 1 1 136 136 LEU HA H 136 4.432 4.432 4.543 -0.111 25437 621 1 1 . 1 1 136 136 LEU CA C 136 54.772 54.772 55.803 -1.031 25437 622 1 1 . 1 1 136 136 LEU CB C 136 42.524 42.524 42.524 0.000 25437 623 1 1 . 1 1 136 136 LEU H H 136 8.280 8.280 8.501 -0.221 25437 624 1 2 . 1 1 3 3 PHE N N 3 121.785 121.785 120.133 1.652 25437 625 1 2 . 1 1 3 3 PHE HA H 3 4.792 4.792 4.267 0.525 25437 626 1 2 . 1 1 3 3 PHE CA C 3 56.407 56.407 58.358 -1.951 25437 627 1 2 . 1 1 3 3 PHE CB C 3 40.111 40.111 40.067 0.044 25437 628 1 2 . 1 1 3 3 PHE H H 3 8.534 8.534 8.011 0.523 25437 629 1 2 . 1 1 4 4 LYS N N 4 119.409 119.409 122.007 -2.598 25437 630 1 2 . 1 1 4 4 LYS HA H 4 4.452 4.452 4.024 0.428 25437 631 1 2 . 1 1 4 4 LYS CA C 4 54.774 54.774 54.078 0.696 25437 632 1 2 . 1 1 4 4 LYS CB C 4 35.710 35.710 35.519 0.191 25437 633 1 2 . 1 1 4 4 LYS H H 4 8.367 8.367 7.118 1.249 25437 634 1 2 . 1 1 5 5 PHE N N 5 124.495 124.495 119.932 4.563 25437 635 1 2 . 1 1 5 5 PHE HA H 5 4.873 4.873 4.422 0.451 25437 636 1 2 . 1 1 5 5 PHE CA C 5 58.636 58.636 57.142 1.494 25437 637 1 2 . 1 1 5 5 PHE CB C 5 39.217 39.217 38.009 1.208 25437 638 1 2 . 1 1 5 5 PHE H H 5 8.603 8.603 7.754 0.849 25437 639 1 2 . 1 1 6 6 GLY N N 6 108.622 108.622 112.133 -3.511 25437 640 1 2 . 1 1 6 6 GLY CA C 6 43.819 43.819 44.474 -0.655 25437 641 1 2 . 1 1 6 6 GLY H H 6 8.559 8.559 8.091 0.468 25437 642 1 2 . 1 1 7 7 LYS N N 7 119.341 119.341 120.777 -1.436 25437 643 1 2 . 1 1 7 7 LYS HA H 7 3.958 3.958 4.103 -0.145 25437 644 1 2 . 1 1 7 7 LYS CA C 7 60.087 60.087 59.938 0.150 25437 645 1 2 . 1 1 7 7 LYS CB C 7 32.399 32.399 32.370 0.029 25437 646 1 2 . 1 1 7 7 LYS H H 7 8.692 8.692 8.623 0.069 25437 647 1 2 . 1 1 8 8 ASN N N 8 118.555 118.555 116.507 2.048 25437 648 1 2 . 1 1 8 8 ASN HA H 8 4.551 4.551 4.636 -0.085 25437 649 1 2 . 1 1 8 8 ASN CA C 8 56.776 56.776 55.908 0.868 25437 650 1 2 . 1 1 8 8 ASN CB C 8 36.961 36.961 37.974 -1.014 25437 651 1 2 . 1 1 8 8 ASN H H 8 9.185 9.185 8.651 0.534 25437 652 1 2 . 1 1 9 9 SER N N 9 118.632 118.632 117.683 0.949 25437 653 1 2 . 1 1 9 9 SER HA H 9 4.283 4.283 4.191 0.092 25437 654 1 2 . 1 1 9 9 SER CA C 9 62.790 62.790 62.129 0.661 25437 655 1 2 . 1 1 9 9 SER CB C 9 62.790 62.790 62.896 -0.106 25437 656 1 2 . 1 1 9 9 SER H H 9 8.076 8.076 8.195 -0.119 25437 657 1 2 . 1 1 10 10 GLU N N 10 120.882 120.882 119.944 0.938 25437 658 1 2 . 1 1 10 10 GLU HA H 10 3.977 3.977 3.978 -0.001 25437 659 1 2 . 1 1 10 10 GLU CA C 10 59.409 59.409 59.397 0.012 25437 660 1 2 . 1 1 10 10 GLU CB C 10 28.556 28.556 28.872 -0.316 25437 661 1 2 . 1 1 10 10 GLU H H 10 8.351 8.351 8.892 -0.541 25437 662 1 2 . 1 1 11 11 LYS N N 11 120.030 120.030 119.726 0.304 25437 663 1 2 . 1 1 11 11 LYS HA H 11 4.056 4.056 4.122 -0.066 25437 664 1 2 . 1 1 11 11 LYS CA C 11 59.477 59.477 58.617 0.860 25437 665 1 2 . 1 1 11 11 LYS CB C 11 32.032 32.032 32.323 -0.291 25437 666 1 2 . 1 1 11 11 LYS H H 11 7.937 7.937 7.444 0.493 25437 667 1 2 . 1 1 12 12 GLN N N 12 114.749 114.749 119.249 -4.500 25437 668 1 2 . 1 1 12 12 GLN HA H 12 4.147 4.147 4.103 0.044 25437 669 1 2 . 1 1 12 12 GLN CA C 12 57.373 57.373 58.927 -1.554 25437 670 1 2 . 1 1 12 12 GLN CB C 12 28.511 28.511 28.679 -0.168 25437 671 1 2 . 1 1 12 12 GLN H H 12 7.562 7.562 8.051 -0.489 25437 672 1 2 . 1 1 13 13 LEU N N 13 121.751 121.751 118.556 3.195 25437 673 1 2 . 1 1 13 13 LEU HA H 13 3.880 3.880 4.243 -0.363 25437 674 1 2 . 1 1 13 13 LEU CA C 13 57.080 57.080 56.307 0.773 25437 675 1 2 . 1 1 13 13 LEU CB C 13 42.413 42.413 40.246 2.167 25437 676 1 2 . 1 1 13 13 LEU H H 13 8.725 8.725 8.280 0.445 25437 677 1 2 . 1 1 14 14 ALA N N 14 116.323 116.323 119.795 -3.472 25437 678 1 2 . 1 1 14 14 ALA HA H 14 4.070 4.070 4.299 -0.229 25437 679 1 2 . 1 1 14 14 ALA CA C 14 53.706 53.706 54.043 -0.337 25437 680 1 2 . 1 1 14 14 ALA CB C 14 18.020 18.020 18.907 -0.887 25437 681 1 2 . 1 1 14 14 ALA H H 14 7.574 7.574 7.525 0.049 25437 682 1 2 . 1 1 15 15 THR N N 15 104.034 104.034 110.460 -6.426 25437 683 1 2 . 1 1 15 15 THR HA H 15 4.431 4.431 4.396 0.035 25437 684 1 2 . 1 1 15 15 THR CA C 15 62.381 62.381 61.428 0.952 25437 685 1 2 . 1 1 15 15 THR CB C 15 70.327 70.327 69.670 0.657 25437 686 1 2 . 1 1 15 15 THR H H 15 7.326 7.326 7.377 -0.051 25437 687 1 2 . 1 1 16 16 VAL N N 16 112.438 112.438 122.989 -10.551 25437 688 1 2 . 1 1 16 16 VAL HA H 16 4.922 4.922 3.886 1.036 25437 689 1 2 . 1 1 16 16 VAL CA C 16 59.661 59.661 63.266 -3.604 25437 690 1 2 . 1 1 16 16 VAL CB C 16 32.989 32.989 32.966 0.023 25437 691 1 2 . 1 1 16 16 VAL H H 16 7.164 7.164 7.288 -0.124 25437 692 1 2 . 1 1 17 17 LYS N N 17 120.729 120.729 128.550 -7.821 25437 693 1 2 . 1 1 17 17 LYS HA H 17 4.230 4.230 4.361 -0.131 25437 694 1 2 . 1 1 17 17 LYS CA C 17 55.486 55.486 58.235 -2.749 25437 695 1 2 . 1 1 17 17 LYS CB C 17 32.079 32.079 30.755 1.325 25437 696 1 2 . 1 1 17 17 LYS H H 17 8.907 8.907 8.756 0.151 25437 697 1 2 . 1 1 18 18 PRO HA H 18 4.130 4.130 4.478 -0.348 25437 698 1 2 . 1 1 18 18 PRO CA C 18 65.813 65.813 63.127 2.686 25437 699 1 2 . 1 1 18 18 PRO CB C 18 31.864 31.864 31.933 -0.069 25437 700 1 2 . 1 1 19 19 GLU N N 19 117.608 117.608 117.721 -0.113 25437 701 1 2 . 1 1 19 19 GLU HA H 19 4.011 4.011 4.430 -0.419 25437 702 1 2 . 1 1 19 19 GLU CA C 19 61.031 61.031 56.524 4.507 25437 703 1 2 . 1 1 19 19 GLU CB C 19 29.117 29.117 29.093 0.024 25437 704 1 2 . 1 1 19 19 GLU H H 19 9.714 9.714 8.714 1.000 25437 705 1 2 . 1 1 20 20 LEU N N 20 117.938 117.938 118.724 -0.786 25437 706 1 2 . 1 1 20 20 LEU HA H 20 4.258 4.258 3.975 0.283 25437 707 1 2 . 1 1 20 20 LEU CA C 20 56.261 56.261 58.041 -1.780 25437 708 1 2 . 1 1 20 20 LEU CB C 20 41.894 41.894 40.753 1.141 25437 709 1 2 . 1 1 20 20 LEU H H 20 7.188 7.188 7.904 -0.716 25437 710 1 2 . 1 1 21 21 GLN N N 21 118.367 118.367 117.911 0.456 25437 711 1 2 . 1 1 21 21 GLN HA H 21 3.831 3.831 3.975 -0.144 25437 712 1 2 . 1 1 21 21 GLN CA C 21 60.100 60.100 58.502 1.598 25437 713 1 2 . 1 1 21 21 GLN CB C 21 27.745 27.745 27.770 -0.025 25437 714 1 2 . 1 1 21 21 GLN H H 21 7.805 7.805 8.484 -0.679 25437 715 1 2 . 1 1 22 22 LYS N N 22 116.715 116.715 120.553 -3.838 25437 716 1 2 . 1 1 22 22 LYS HA H 22 3.962 3.962 3.987 -0.025 25437 717 1 2 . 1 1 22 22 LYS CA C 22 59.816 59.816 59.556 0.260 25437 718 1 2 . 1 1 22 22 LYS CB C 22 32.520 32.520 31.982 0.538 25437 719 1 2 . 1 1 22 22 LYS H H 22 8.143 8.143 8.140 0.003 25437 720 1 2 . 1 1 23 23 VAL N N 23 118.397 118.397 119.276 -0.879 25437 721 1 2 . 1 1 23 23 VAL HA H 23 3.591 3.591 3.555 0.036 25437 722 1 2 . 1 1 23 23 VAL CA C 23 66.313 66.313 66.047 0.266 25437 723 1 2 . 1 1 23 23 VAL CB C 23 31.529 31.529 30.867 0.662 25437 724 1 2 . 1 1 23 23 VAL H H 23 7.715 7.715 7.494 0.221 25437 725 1 2 . 1 1 24 24 ALA N N 24 121.929 121.929 121.996 -0.067 25437 726 1 2 . 1 1 24 24 ALA HA H 24 4.024 4.024 3.329 0.695 25437 727 1 2 . 1 1 24 24 ALA CA C 24 55.444 55.444 55.196 0.248 25437 728 1 2 . 1 1 24 24 ALA CB C 24 18.086 18.086 18.318 -0.232 25437 729 1 2 . 1 1 24 24 ALA H H 24 8.307 8.307 7.380 0.927 25437 730 1 2 . 1 1 25 25 ARG N N 25 114.491 114.491 119.254 -4.763 25437 731 1 2 . 1 1 25 25 ARG HA H 25 4.114 4.114 4.231 -0.117 25437 732 1 2 . 1 1 25 25 ARG CA C 25 60.717 60.717 59.943 0.774 25437 733 1 2 . 1 1 25 25 ARG CB C 25 29.257 29.257 30.396 -1.139 25437 734 1 2 . 1 1 25 25 ARG H H 25 8.224 8.224 8.464 -0.240 25437 735 1 2 . 1 1 26 26 ARG N N 26 119.944 119.944 119.027 0.917 25437 736 1 2 . 1 1 26 26 ARG HA H 26 4.223 4.223 3.998 0.225 25437 737 1 2 . 1 1 26 26 ARG CA C 26 57.097 57.097 59.145 -2.048 25437 738 1 2 . 1 1 26 26 ARG CB C 26 28.888 28.888 30.168 -1.280 25437 739 1 2 . 1 1 26 26 ARG H H 26 7.703 7.703 8.071 -0.368 25437 740 1 2 . 1 1 27 27 ALA N N 27 122.041 122.041 122.839 -0.798 25437 741 1 2 . 1 1 27 27 ALA HA H 27 3.611 3.611 3.891 -0.280 25437 742 1 2 . 1 1 27 27 ALA CA C 27 55.249 55.249 54.976 0.273 25437 743 1 2 . 1 1 27 27 ALA CB C 27 15.829 15.829 17.666 -1.837 25437 744 1 2 . 1 1 27 27 ALA H H 27 8.754 8.754 8.241 0.513 25437 745 1 2 . 1 1 28 28 LEU N N 28 117.421 117.421 118.303 -0.882 25437 746 1 2 . 1 1 28 28 LEU HA H 28 4.053 4.053 4.247 -0.194 25437 747 1 2 . 1 1 28 28 LEU CA C 28 57.757 57.757 58.296 -0.539 25437 748 1 2 . 1 1 28 28 LEU CB C 28 40.351 40.351 42.107 -1.756 25437 749 1 2 . 1 1 28 28 LEU H H 28 7.657 7.657 8.025 -0.368 25437 750 1 2 . 1 1 29 29 GLU N N 29 114.911 114.911 117.581 -2.670 25437 751 1 2 . 1 1 29 29 GLU HA H 29 4.023 4.023 4.145 -0.122 25437 752 1 2 . 1 1 29 29 GLU CA C 29 58.489 58.489 58.028 0.461 25437 753 1 2 . 1 1 29 29 GLU CB C 29 29.540 29.540 30.156 -0.616 25437 754 1 2 . 1 1 29 29 GLU H H 29 7.039 7.039 7.582 -0.543 25437 755 1 2 . 1 1 30 30 LEU N N 30 117.166 117.166 119.038 -1.872 25437 756 1 2 . 1 1 30 30 LEU HA H 30 4.281 4.281 4.019 0.262 25437 757 1 2 . 1 1 30 30 LEU CA C 30 55.266 55.266 56.697 -1.431 25437 758 1 2 . 1 1 30 30 LEU CB C 30 44.403 44.403 42.371 2.031 25437 759 1 2 . 1 1 30 30 LEU H H 30 7.353 7.353 8.108 -0.755 25437 760 1 2 . 1 1 31 31 SER N N 31 116.260 116.260 114.542 1.718 25437 761 1 2 . 1 1 31 31 SER HA H 31 4.557 4.557 4.227 0.330 25437 762 1 2 . 1 1 31 31 SER CA C 31 55.723 55.723 57.278 -1.555 25437 763 1 2 . 1 1 31 31 SER CB C 31 65.560 65.560 64.215 1.345 25437 764 1 2 . 1 1 31 31 SER H H 31 7.742 7.742 7.866 -0.124 25437 765 1 2 . 1 1 32 32 PRO HA H 32 4.609 4.609 4.251 0.358 25437 766 1 2 . 1 1 32 32 PRO CA C 32 63.483 63.483 64.138 -0.655 25437 767 1 2 . 1 1 32 32 PRO CB C 32 31.236 31.236 31.623 -0.387 25437 768 1 2 . 1 1 33 33 TYR N N 33 114.714 114.714 119.116 -4.402 25437 769 1 2 . 1 1 33 33 TYR HA H 33 4.710 4.710 4.651 0.059 25437 770 1 2 . 1 1 33 33 TYR CA C 33 56.742 56.742 55.763 0.979 25437 771 1 2 . 1 1 33 33 TYR CB C 33 41.506 41.506 38.639 2.866 25437 772 1 2 . 1 1 33 33 TYR H H 33 7.727 7.727 7.086 0.641 25437 773 1 2 . 1 1 34 34 ASP N N 34 125.197 125.197 120.438 4.759 25437 774 1 2 . 1 1 34 34 ASP HA H 34 3.524 3.524 4.605 -1.081 25437 775 1 2 . 1 1 34 34 ASP CA C 34 52.353 52.353 56.224 -3.871 25437 776 1 2 . 1 1 34 34 ASP CB C 34 37.720 37.720 41.898 -4.178 25437 777 1 2 . 1 1 34 34 ASP H H 34 8.630 8.630 8.850 -0.220 25437 778 1 2 . 1 1 35 35 PHE N N 35 115.803 115.803 113.623 2.180 25437 779 1 2 . 1 1 35 35 PHE HA H 35 5.131 5.131 5.443 -0.312 25437 780 1 2 . 1 1 35 35 PHE CA C 35 55.839 55.839 56.836 -0.997 25437 781 1 2 . 1 1 35 35 PHE CB C 35 40.751 40.751 42.977 -2.226 25437 782 1 2 . 1 1 35 35 PHE H H 35 7.250 7.250 8.127 -0.877 25437 783 1 2 . 1 1 36 36 THR N N 36 113.338 113.338 116.449 -3.111 25437 784 1 2 . 1 1 36 36 THR HA H 36 4.769 4.769 4.508 0.261 25437 785 1 2 . 1 1 36 36 THR CA C 36 58.833 58.833 59.297 -0.464 25437 786 1 2 . 1 1 36 36 THR CB C 36 71.387 71.387 70.258 1.129 25437 787 1 2 . 1 1 36 36 THR H H 36 9.026 9.026 8.898 0.128 25437 788 1 2 . 1 1 37 37 ILE N N 37 124.219 124.219 127.673 -3.454 25437 789 1 2 . 1 1 37 37 ILE HA H 37 4.676 4.676 4.366 0.310 25437 790 1 2 . 1 1 37 37 ILE CA C 37 58.395 58.395 61.455 -3.060 25437 791 1 2 . 1 1 37 37 ILE CB C 37 34.649 34.649 38.334 -3.686 25437 792 1 2 . 1 1 37 37 ILE H H 37 8.476 8.476 8.983 -0.507 25437 793 1 2 . 1 1 38 38 VAL N N 38 124.271 124.271 127.679 -3.408 25437 794 1 2 . 1 1 38 38 VAL HA H 38 3.981 3.981 4.193 -0.212 25437 795 1 2 . 1 1 38 38 VAL CA C 38 63.144 63.144 64.054 -0.910 25437 796 1 2 . 1 1 38 38 VAL CB C 38 32.658 32.658 33.035 -0.376 25437 797 1 2 . 1 1 38 38 VAL H H 38 8.640 8.640 8.912 -0.272 25437 798 1 2 . 1 1 39 39 GLN N N 39 115.210 115.210 116.533 -1.323 25437 799 1 2 . 1 1 39 39 GLN HA H 39 4.378 4.378 4.592 -0.214 25437 800 1 2 . 1 1 39 39 GLN CA C 39 56.197 56.197 55.501 0.696 25437 801 1 2 . 1 1 39 39 GLN CB C 39 33.463 33.463 32.239 1.224 25437 802 1 2 . 1 1 39 39 GLN H H 39 7.305 7.305 7.738 -0.433 25437 803 1 2 . 1 1 40 40 GLY N N 40 116.022 116.022 111.446 4.576 25437 804 1 2 . 1 1 40 40 GLY CA C 40 45.347 45.347 45.605 -0.258 25437 805 1 2 . 1 1 40 40 GLY H H 40 8.851 8.851 9.313 -0.462 25437 806 1 2 . 1 1 41 41 ILE N N 41 132.358 132.358 120.775 11.583 25437 807 1 2 . 1 1 41 41 ILE HA H 41 4.715 4.715 4.606 0.109 25437 808 1 2 . 1 1 41 41 ILE CA C 41 61.575 61.575 58.934 2.641 25437 809 1 2 . 1 1 41 41 ILE CB C 41 38.774 38.774 41.462 -2.688 25437 810 1 2 . 1 1 41 41 ILE H H 41 8.776 8.776 8.675 0.101 25437 811 1 2 . 1 1 42 42 ARG N N 42 123.358 123.358 128.030 -4.672 25437 812 1 2 . 1 1 42 42 ARG HA H 42 4.725 4.725 4.544 0.181 25437 813 1 2 . 1 1 42 42 ARG CA C 42 54.576 54.576 55.794 -1.218 25437 814 1 2 . 1 1 42 42 ARG CB C 42 33.425 33.425 31.292 2.133 25437 815 1 2 . 1 1 42 42 ARG H H 42 7.154 7.154 8.573 -1.419 25437 816 1 2 . 1 1 43 43 THR N N 43 115.494 115.494 117.441 -1.947 25437 817 1 2 . 1 1 43 43 THR HA H 43 4.539 4.539 4.323 0.216 25437 818 1 2 . 1 1 43 43 THR CA C 43 61.022 61.022 61.039 -0.018 25437 819 1 2 . 1 1 43 43 THR CB C 43 70.577 70.577 69.561 1.016 25437 820 1 2 . 1 1 43 43 THR H H 43 8.519 8.519 8.445 0.074 25437 821 1 2 . 1 1 44 44 VAL N N 44 121.526 121.526 115.494 6.032 25437 822 1 2 . 1 1 44 44 VAL HA H 44 3.956 3.956 4.131 -0.175 25437 823 1 2 . 1 1 44 44 VAL CA C 44 63.977 63.977 63.892 0.085 25437 824 1 2 . 1 1 44 44 VAL CB C 44 32.313 32.313 31.078 1.234 25437 825 1 2 . 1 1 44 44 VAL H H 44 8.516 8.516 8.212 0.304 25437 826 1 2 . 1 1 45 45 ALA N N 45 125.457 125.457 121.511 3.946 25437 827 1 2 . 1 1 45 45 ALA HA H 45 4.260 4.260 4.430 -0.170 25437 828 1 2 . 1 1 45 45 ALA CA C 45 53.278 53.278 53.115 0.163 25437 829 1 2 . 1 1 45 45 ALA CB C 45 18.641 18.641 19.582 -0.941 25437 830 1 2 . 1 1 45 45 ALA H H 45 8.311 8.311 7.921 0.390 25437 831 1 2 . 1 1 46 46 GLN N N 46 118.271 118.271 119.788 -1.517 25437 832 1 2 . 1 1 46 46 GLN HA H 46 4.232 4.232 4.111 0.121 25437 833 1 2 . 1 1 46 46 GLN CA C 46 56.717 56.717 58.505 -1.788 25437 834 1 2 . 1 1 46 46 GLN CB C 46 28.901 28.901 28.460 0.441 25437 835 1 2 . 1 1 46 46 GLN H H 46 8.109 8.109 8.379 -0.270 25437 836 1 2 . 1 1 47 47 SER N N 47 116.127 116.127 114.469 1.658 25437 837 1 2 . 1 1 47 47 SER HA H 47 4.361 4.361 4.183 0.178 25437 838 1 2 . 1 1 47 47 SER CA C 47 59.082 59.082 61.368 -2.286 25437 839 1 2 . 1 1 47 47 SER CB C 47 64.009 64.009 62.800 1.209 25437 840 1 2 . 1 1 47 47 SER H H 47 8.199 8.199 8.020 0.179 25437 841 1 2 . 1 1 48 48 ALA N N 48 124.628 124.628 124.253 0.375 25437 842 1 2 . 1 1 48 48 ALA HA H 48 4.253 4.253 4.224 0.029 25437 843 1 2 . 1 1 48 48 ALA CA C 48 53.325 53.325 54.291 -0.966 25437 844 1 2 . 1 1 48 48 ALA CB C 48 18.552 18.552 18.418 0.134 25437 845 1 2 . 1 1 48 48 ALA H H 48 8.315 8.315 8.294 0.021 25437 846 1 2 . 1 1 49 49 GLN N N 49 119.160 119.160 118.036 1.124 25437 847 1 2 . 1 1 49 49 GLN HA H 49 4.232 4.232 4.240 -0.008 25437 848 1 2 . 1 1 49 49 GLN CA C 49 56.850 56.850 56.856 -0.007 25437 849 1 2 . 1 1 49 49 GLN CB C 49 28.992 28.992 28.596 0.396 25437 850 1 2 . 1 1 49 49 GLN H H 49 8.153 8.153 7.872 0.281 25437 851 1 2 . 1 1 50 50 ASN N N 50 119.112 119.112 119.904 -0.792 25437 852 1 2 . 1 1 50 50 ASN HA H 50 4.660 4.660 4.469 0.191 25437 853 1 2 . 1 1 50 50 ASN CA C 50 53.572 53.572 55.990 -2.418 25437 854 1 2 . 1 1 50 50 ASN CB C 50 38.376 38.376 38.101 0.275 25437 855 1 2 . 1 1 50 50 ASN H H 50 8.205 8.205 8.157 0.048 25437 856 1 2 . 1 1 51 51 ILE N N 51 120.639 120.639 115.597 5.042 25437 857 1 2 . 1 1 51 51 ILE HA H 51 4.095 4.095 3.958 0.137 25437 858 1 2 . 1 1 51 51 ILE CA C 51 61.954 61.954 62.162 -0.208 25437 859 1 2 . 1 1 51 51 ILE CB C 51 38.414 38.414 36.066 2.348 25437 860 1 2 . 1 1 51 51 ILE H H 51 7.939 7.939 7.172 0.767 25437 861 1 2 . 1 1 52 52 ALA N N 52 126.459 126.459 122.526 3.933 25437 862 1 2 . 1 1 52 52 ALA HA H 52 4.246 4.246 4.365 -0.119 25437 863 1 2 . 1 1 52 52 ALA CA C 52 53.189 53.189 51.646 1.543 25437 864 1 2 . 1 1 52 52 ALA CB C 52 18.453 18.453 18.210 0.243 25437 865 1 2 . 1 1 52 52 ALA H H 52 8.251 8.251 8.119 0.132 25437 866 1 2 . 1 1 53 53 ASN N N 53 116.801 116.801 118.188 -1.387 25437 867 1 2 . 1 1 53 53 ASN HA H 53 4.648 4.648 4.717 -0.069 25437 868 1 2 . 1 1 53 53 ASN CA C 53 53.425 53.425 52.661 0.764 25437 869 1 2 . 1 1 53 53 ASN CB C 53 38.600 38.600 38.309 0.291 25437 870 1 2 . 1 1 53 53 ASN H H 53 8.230 8.230 8.094 0.136 25437 871 1 2 . 1 1 54 54 GLY N N 54 108.549 108.549 107.098 1.451 25437 872 1 2 . 1 1 54 54 GLY CA C 54 45.746 45.746 45.120 0.626 25437 873 1 2 . 1 1 54 54 GLY H H 54 8.191 8.191 8.314 -0.123 25437 874 1 2 . 1 1 55 55 THR N N 55 112.528 112.528 113.028 -0.500 25437 875 1 2 . 1 1 55 55 THR HA H 55 4.282 4.282 4.503 -0.221 25437 876 1 2 . 1 1 55 55 THR CA C 55 62.118 62.118 61.095 1.023 25437 877 1 2 . 1 1 55 55 THR CB C 55 69.796 69.796 70.393 -0.597 25437 878 1 2 . 1 1 55 55 THR H H 55 8.003 8.003 7.450 0.553 25437 879 1 2 . 1 1 56 56 SER N N 56 116.986 116.986 121.372 -4.386 25437 880 1 2 . 1 1 56 56 SER HA H 56 4.362 4.362 4.591 -0.229 25437 881 1 2 . 1 1 56 56 SER CA C 56 58.454 58.454 58.522 -0.068 25437 882 1 2 . 1 1 56 56 SER CB C 56 63.762 63.762 63.234 0.527 25437 883 1 2 . 1 1 56 56 SER H H 56 8.043 8.043 8.562 -0.519 25437 884 1 2 . 1 1 57 57 PHE N N 57 121.981 121.981 120.733 1.248 25437 885 1 2 . 1 1 57 57 PHE HA H 57 4.579 4.579 4.478 0.101 25437 886 1 2 . 1 1 57 57 PHE CA C 57 57.929 57.929 60.473 -2.544 25437 887 1 2 . 1 1 57 57 PHE CB C 57 39.068 39.068 39.689 -0.621 25437 888 1 2 . 1 1 57 57 PHE H H 57 8.120 8.120 7.673 0.447 25437 889 1 2 . 1 1 58 58 LEU N N 58 121.621 121.621 120.071 1.550 25437 890 1 2 . 1 1 58 58 LEU HA H 58 4.174 4.174 4.453 -0.279 25437 891 1 2 . 1 1 58 58 LEU CA C 58 55.350 55.350 54.282 1.068 25437 892 1 2 . 1 1 58 58 LEU CB C 58 42.340 42.340 40.725 1.615 25437 893 1 2 . 1 1 58 58 LEU H H 58 7.806 7.806 7.910 -0.104 25437 894 1 2 . 1 1 59 59 LYS N N 59 120.388 120.388 119.365 1.023 25437 895 1 2 . 1 1 59 59 LYS HA H 59 4.230 4.230 4.115 0.115 25437 896 1 2 . 1 1 59 59 LYS CA C 59 55.823 55.823 56.654 -0.830 25437 897 1 2 . 1 1 59 59 LYS CB C 59 32.616 32.616 32.684 -0.068 25437 898 1 2 . 1 1 59 59 LYS H H 59 8.068 8.068 7.608 0.460 25437 899 1 2 . 1 1 60 60 ASP N N 60 121.094 121.094 122.200 -1.106 25437 900 1 2 . 1 1 60 60 ASP HA H 60 4.828 4.828 4.994 -0.166 25437 901 1 2 . 1 1 60 60 ASP CA C 60 53.698 53.698 52.188 1.510 25437 902 1 2 . 1 1 60 60 ASP CB C 60 41.652 41.652 40.715 0.938 25437 903 1 2 . 1 1 60 60 ASP H H 60 7.959 7.959 8.423 -0.464 25437 904 1 2 . 1 1 61 61 PRO HA H 61 4.388 4.388 4.590 -0.202 25437 905 1 2 . 1 1 61 61 PRO CA C 61 63.263 63.263 64.179 -0.916 25437 906 1 2 . 1 1 61 61 PRO CB C 61 31.697 31.697 32.682 -0.985 25437 907 1 2 . 1 1 62 62 SER N N 62 115.353 115.353 110.701 4.652 25437 908 1 2 . 1 1 62 62 SER HA H 62 4.365 4.365 4.625 -0.260 25437 909 1 2 . 1 1 62 62 SER CA C 62 59.258 59.258 56.110 3.148 25437 910 1 2 . 1 1 62 62 SER CB C 62 63.634 63.634 63.078 0.556 25437 911 1 2 . 1 1 62 62 SER H H 62 8.420 8.420 7.804 0.616 25437 912 1 2 . 1 1 63 63 LYS N N 63 122.360 122.360 122.097 0.263 25437 913 1 2 . 1 1 63 63 LYS HA H 63 4.266 4.266 4.075 0.191 25437 914 1 2 . 1 1 63 63 LYS CA C 63 56.628 56.628 58.005 -1.377 25437 915 1 2 . 1 1 63 63 LYS CB C 63 29.327 29.327 32.773 -3.446 25437 916 1 2 . 1 1 63 63 LYS H H 63 8.405 8.405 8.196 0.209 25437 917 1 2 . 1 1 65 65 LYS N N 65 125.418 125.418 120.506 4.912 25437 918 1 2 . 1 1 65 65 LYS HA H 65 4.146 4.146 4.555 -0.409 25437 919 1 2 . 1 1 65 65 LYS CA C 65 63.350 63.350 57.002 6.348 25437 920 1 2 . 1 1 65 65 LYS CB C 65 31.891 31.891 32.740 -0.849 25437 921 1 2 . 1 1 65 65 LYS H H 65 8.369 8.369 9.066 -0.697 25437 922 1 2 . 1 1 66 66 HIS N N 66 121.236 121.236 119.258 1.978 25437 923 1 2 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.410 0.135 25437 924 1 2 . 1 1 66 66 HIS CA C 66 59.256 59.256 58.623 0.633 25437 925 1 2 . 1 1 66 66 HIS CB C 66 28.619 28.619 29.547 -0.928 25437 926 1 2 . 1 1 66 66 HIS H H 66 8.758 8.758 8.627 0.131 25437 927 1 2 . 1 1 67 67 ILE N N 67 120.137 120.137 119.881 0.256 25437 928 1 2 . 1 1 67 67 ILE HA H 67 4.372 4.372 3.960 0.412 25437 929 1 2 . 1 1 67 67 ILE CA C 67 63.961 63.961 63.772 0.189 25437 930 1 2 . 1 1 67 67 ILE CB C 67 37.935 37.935 36.470 1.465 25437 931 1 2 . 1 1 67 67 ILE H H 67 7.849 7.849 8.085 -0.236 25437 932 1 2 . 1 1 68 68 THR N N 68 104.067 104.067 112.071 -8.004 25437 933 1 2 . 1 1 68 68 THR HA H 68 4.397 4.397 4.393 0.004 25437 934 1 2 . 1 1 68 68 THR CA C 68 61.343 61.343 62.335 -0.992 25437 935 1 2 . 1 1 68 68 THR CB C 68 68.473 68.473 69.283 -0.810 25437 936 1 2 . 1 1 68 68 THR H H 68 7.168 7.168 7.931 -0.763 25437 937 1 2 . 1 1 69 69 GLY N N 69 107.308 107.308 110.616 -3.308 25437 938 1 2 . 1 1 69 69 GLY CA C 69 46.665 46.665 46.111 0.554 25437 939 1 2 . 1 1 69 69 GLY H H 69 7.169 7.169 7.761 -0.592 25437 940 1 2 . 1 1 70 70 ASP N N 70 114.629 114.629 117.359 -2.730 25437 941 1 2 . 1 1 70 70 ASP HA H 70 4.734 4.734 4.628 0.106 25437 942 1 2 . 1 1 70 70 ASP CA C 70 54.627 54.627 53.366 1.261 25437 943 1 2 . 1 1 70 70 ASP CB C 70 44.451 44.451 41.361 3.090 25437 944 1 2 . 1 1 70 70 ASP H H 70 7.644 7.644 7.765 -0.121 25437 945 1 2 . 1 1 71 71 ALA N N 71 118.917 118.917 119.195 -0.278 25437 946 1 2 . 1 1 71 71 ALA HA H 71 5.062 5.062 4.909 0.153 25437 947 1 2 . 1 1 71 71 ALA CA C 71 51.498 51.498 51.385 0.113 25437 948 1 2 . 1 1 71 71 ALA CB C 71 21.994 21.994 21.825 0.169 25437 949 1 2 . 1 1 71 71 ALA H H 71 7.529 7.529 7.228 0.301 25437 950 1 2 . 1 1 72 72 ILE N N 72 110.818 110.818 113.321 -2.503 25437 951 1 2 . 1 1 72 72 ILE HA H 72 5.249 5.249 4.442 0.807 25437 952 1 2 . 1 1 72 72 ILE CA C 72 58.821 58.821 60.379 -1.558 25437 953 1 2 . 1 1 72 72 ILE CB C 72 43.709 43.709 42.007 1.702 25437 954 1 2 . 1 1 72 72 ILE H H 72 8.449 8.449 8.888 -0.439 25437 955 1 2 . 1 1 73 73 ASP N N 73 117.790 117.790 120.979 -3.189 25437 956 1 2 . 1 1 73 73 ASP HA H 73 6.094 6.094 5.578 0.516 25437 957 1 2 . 1 1 73 73 ASP CA C 73 52.090 52.090 53.043 -0.953 25437 958 1 2 . 1 1 73 73 ASP CB C 73 42.655 42.655 45.103 -2.448 25437 959 1 2 . 1 1 73 73 ASP H H 73 8.442 8.442 8.884 -0.442 25437 960 1 2 . 1 1 74 74 PHE N N 74 122.479 122.479 122.580 -0.101 25437 961 1 2 . 1 1 74 74 PHE HA H 74 6.173 6.173 5.560 0.613 25437 962 1 2 . 1 1 74 74 PHE CA C 74 54.775 54.775 55.809 -1.034 25437 963 1 2 . 1 1 74 74 PHE CB C 74 44.115 44.115 42.706 1.409 25437 964 1 2 . 1 1 74 74 PHE H H 74 9.463 9.463 9.142 0.321 25437 965 1 2 . 1 1 75 75 ALA N N 75 118.862 118.862 121.326 -2.464 25437 966 1 2 . 1 1 75 75 ALA HA H 75 4.453 4.453 4.407 0.046 25437 967 1 2 . 1 1 75 75 ALA CA C 75 50.134 50.134 49.094 1.040 25437 968 1 2 . 1 1 75 75 ALA CB C 75 21.020 21.020 21.524 -0.504 25437 969 1 2 . 1 1 75 75 ALA H H 75 8.575 8.575 9.232 -0.657 25437 970 1 2 . 1 1 76 76 PRO HA H 76 4.466 4.466 4.576 -0.110 25437 971 1 2 . 1 1 76 76 PRO CA C 76 62.353 62.353 62.620 -0.267 25437 972 1 2 . 1 1 76 76 PRO CB C 76 32.135 32.135 30.597 1.538 25437 973 1 2 . 1 1 77 77 TYR N N 77 126.211 126.211 125.969 0.242 25437 974 1 2 . 1 1 77 77 TYR HA H 77 4.835 4.835 4.506 0.329 25437 975 1 2 . 1 1 77 77 TYR CA C 77 56.830 56.830 59.051 -2.221 25437 976 1 2 . 1 1 77 77 TYR CB C 77 40.384 40.384 40.484 -0.100 25437 977 1 2 . 1 1 77 77 TYR H H 77 8.357 8.357 8.354 0.003 25437 978 1 2 . 1 1 78 78 ILE N N 78 124.613 124.613 124.106 0.507 25437 979 1 2 . 1 1 78 78 ILE HA H 78 4.210 4.210 4.277 -0.067 25437 980 1 2 . 1 1 78 78 ILE CA C 78 59.941 59.941 60.570 -0.629 25437 981 1 2 . 1 1 78 78 ILE CB C 78 40.652 40.652 41.942 -1.290 25437 982 1 2 . 1 1 78 78 ILE H H 78 8.334 8.334 8.888 -0.554 25437 983 1 2 . 1 1 79 79 ASN N N 79 126.361 126.361 125.078 1.283 25437 984 1 2 . 1 1 79 79 ASN HA H 79 4.339 4.339 4.482 -0.143 25437 985 1 2 . 1 1 79 79 ASN CA C 79 53.937 53.937 53.688 0.249 25437 986 1 2 . 1 1 79 79 ASN CB C 79 36.887 36.887 38.141 -1.254 25437 987 1 2 . 1 1 79 79 ASN H H 79 9.444 9.444 9.104 0.340 25437 988 1 2 . 1 1 80 80 GLY N N 80 102.068 102.068 101.733 0.335 25437 989 1 2 . 1 1 80 80 GLY CA C 80 45.663 45.663 45.430 0.233 25437 990 1 2 . 1 1 80 80 GLY H H 80 8.240 8.240 8.551 -0.311 25437 991 1 2 . 1 1 81 81 LYS N N 81 117.260 117.260 118.448 -1.188 25437 992 1 2 . 1 1 81 81 LYS HA H 81 4.534 4.534 4.269 0.265 25437 993 1 2 . 1 1 81 81 LYS CA C 81 54.226 54.226 53.700 0.526 25437 994 1 2 . 1 1 81 81 LYS CB C 81 35.655 35.655 36.193 -0.538 25437 995 1 2 . 1 1 81 81 LYS H H 81 7.046 7.046 7.465 -0.419 25437 996 1 2 . 1 1 82 82 ILE N N 82 122.347 122.347 120.550 1.797 25437 997 1 2 . 1 1 82 82 ILE HA H 82 4.091 4.091 3.262 0.829 25437 998 1 2 . 1 1 82 82 ILE CA C 82 62.621 62.621 62.179 0.442 25437 999 1 2 . 1 1 82 82 ILE CB C 82 37.833 37.833 37.855 -0.022 25437 1000 1 2 . 1 1 82 82 ILE H H 82 8.418 8.418 8.148 0.270 25437 1001 1 2 . 1 1 83 83 ASP N N 83 128.498 128.498 126.421 2.077 25437 1002 1 2 . 1 1 83 83 ASP HA H 83 4.808 4.808 4.625 0.183 25437 1003 1 2 . 1 1 83 83 ASP CA C 83 51.619 51.619 52.892 -1.273 25437 1004 1 2 . 1 1 83 83 ASP CB C 83 41.079 41.079 40.591 0.488 25437 1005 1 2 . 1 1 83 83 ASP H H 83 8.028 8.028 8.077 -0.049 25437 1006 1 2 . 1 1 84 84 TRP N N 84 121.807 121.807 124.407 -2.600 25437 1007 1 2 . 1 1 84 84 TRP HA H 84 4.574 4.574 4.705 -0.131 25437 1008 1 2 . 1 1 84 84 TRP CA C 84 58.456 58.456 57.912 0.544 25437 1009 1 2 . 1 1 84 84 TRP CB C 84 30.177 30.177 31.152 -0.975 25437 1010 1 2 . 1 1 84 84 TRP H H 84 8.081 8.081 8.209 -0.128 25437 1011 1 2 . 1 1 85 85 ASN N N 85 113.227 113.227 118.380 -5.153 25437 1012 1 2 . 1 1 85 85 ASN HA H 85 4.975 4.975 4.752 0.224 25437 1013 1 2 . 1 1 85 85 ASN CA C 85 53.430 53.430 53.734 -0.304 25437 1014 1 2 . 1 1 85 85 ASN CB C 85 40.162 40.162 39.420 0.742 25437 1015 1 2 . 1 1 85 85 ASN H H 85 8.386 8.386 8.087 0.299 25437 1016 1 2 . 1 1 86 86 ASP N N 86 118.821 118.821 122.790 -3.969 25437 1017 1 2 . 1 1 86 86 ASP HA H 86 4.813 4.813 4.790 0.023 25437 1018 1 2 . 1 1 86 86 ASP CA C 86 52.255 52.255 53.483 -1.228 25437 1019 1 2 . 1 1 86 86 ASP CB C 86 37.613 37.613 39.942 -2.329 25437 1020 1 2 . 1 1 86 86 ASP H H 86 7.405 7.405 8.053 -0.648 25437 1021 1 2 . 1 1 87 87 LEU N N 87 127.177 127.177 121.746 5.431 25437 1022 1 2 . 1 1 87 87 LEU HA H 87 4.055 4.055 4.379 -0.324 25437 1023 1 2 . 1 1 87 87 LEU CA C 87 58.321 58.321 57.543 0.778 25437 1024 1 2 . 1 1 87 87 LEU CB C 87 40.887 40.887 42.004 -1.117 25437 1025 1 2 . 1 1 87 87 LEU H H 87 8.274 8.274 7.579 0.695 25437 1026 1 2 . 1 1 88 88 GLU N N 88 114.132 114.132 120.463 -6.331 25437 1027 1 2 . 1 1 88 88 GLU HA H 88 3.938 3.938 4.007 -0.069 25437 1028 1 2 . 1 1 88 88 GLU CA C 88 59.437 59.437 59.637 -0.200 25437 1029 1 2 . 1 1 88 88 GLU CB C 88 27.987 27.987 28.817 -0.830 25437 1030 1 2 . 1 1 88 88 GLU H H 88 8.257 8.257 8.493 -0.236 25437 1031 1 2 . 1 1 89 89 ALA N N 89 122.075 122.075 120.486 1.589 25437 1032 1 2 . 1 1 89 89 ALA HA H 89 3.799 3.799 4.408 -0.609 25437 1033 1 2 . 1 1 89 89 ALA CA C 89 54.703 54.703 54.452 0.251 25437 1034 1 2 . 1 1 89 89 ALA CB C 89 17.635 17.635 17.961 -0.326 25437 1035 1 2 . 1 1 89 89 ALA H H 89 7.418 7.418 7.965 -0.547 25437 1036 1 2 . 1 1 90 90 PHE N N 90 116.551 116.551 120.704 -4.153 25437 1037 1 2 . 1 1 90 90 PHE HA H 90 4.025 4.025 4.241 -0.216 25437 1038 1 2 . 1 1 90 90 PHE CA C 90 64.150 64.150 61.216 2.934 25437 1039 1 2 . 1 1 90 90 PHE CB C 90 38.965 38.965 38.712 0.253 25437 1040 1 2 . 1 1 90 90 PHE H H 90 7.777 7.777 7.386 0.391 25437 1041 1 2 . 1 1 91 91 TRP N N 91 119.390 119.390 120.944 -1.554 25437 1042 1 2 . 1 1 91 91 TRP HA H 91 4.578 4.578 4.199 0.379 25437 1043 1 2 . 1 1 91 91 TRP CA C 91 59.217 59.217 61.533 -2.316 25437 1044 1 2 . 1 1 91 91 TRP CB C 91 29.802 29.802 29.154 0.648 25437 1045 1 2 . 1 1 91 91 TRP H H 91 7.821 7.821 8.164 -0.343 25437 1046 1 2 . 1 1 92 92 ALA N N 92 121.275 121.275 121.378 -0.103 25437 1047 1 2 . 1 1 92 92 ALA HA H 92 4.124 4.124 3.894 0.230 25437 1048 1 2 . 1 1 92 92 ALA CA C 92 55.229 55.229 54.934 0.295 25437 1049 1 2 . 1 1 92 92 ALA CB C 92 18.870 18.870 18.134 0.736 25437 1050 1 2 . 1 1 92 92 ALA H H 92 8.242 8.242 7.537 0.705 25437 1051 1 2 . 1 1 93 93 VAL N N 93 120.454 120.454 117.912 2.542 25437 1052 1 2 . 1 1 93 93 VAL HA H 93 3.600 3.600 3.797 -0.197 25437 1053 1 2 . 1 1 93 93 VAL CA C 93 66.424 66.424 64.362 2.062 25437 1054 1 2 . 1 1 93 93 VAL CB C 93 30.676 30.676 31.788 -1.113 25437 1055 1 2 . 1 1 93 93 VAL H H 93 8.259 8.259 7.830 0.429 25437 1056 1 2 . 1 1 94 94 LYS N N 94 122.098 122.098 120.624 1.474 25437 1057 1 2 . 1 1 94 94 LYS HA H 94 3.690 3.690 3.926 -0.236 25437 1058 1 2 . 1 1 94 94 LYS CA C 94 60.959 60.959 59.319 1.640 25437 1059 1 2 . 1 1 94 94 LYS CB C 94 31.484 31.484 31.789 -0.305 25437 1060 1 2 . 1 1 94 94 LYS H H 94 8.382 8.382 8.473 -0.091 25437 1061 1 2 . 1 1 95 95 LYS N N 95 118.030 118.030 118.768 -0.738 25437 1062 1 2 . 1 1 95 95 LYS HA H 95 3.958 3.958 4.184 -0.226 25437 1063 1 2 . 1 1 95 95 LYS CA C 95 59.212 59.212 59.015 0.197 25437 1064 1 2 . 1 1 95 95 LYS CB C 95 31.219 31.219 32.139 -0.920 25437 1065 1 2 . 1 1 95 95 LYS H H 95 7.957 7.957 7.435 0.522 25437 1066 1 2 . 1 1 96 96 ALA N N 96 124.359 124.359 121.447 2.912 25437 1067 1 2 . 1 1 96 96 ALA HA H 96 4.229 4.229 4.060 0.169 25437 1068 1 2 . 1 1 96 96 ALA CA C 96 55.422 55.422 55.033 0.389 25437 1069 1 2 . 1 1 96 96 ALA CB C 96 17.148 17.148 18.188 -1.040 25437 1070 1 2 . 1 1 96 96 ALA H H 96 7.668 7.668 7.743 -0.075 25437 1071 1 2 . 1 1 97 97 PHE N N 97 117.446 117.446 119.138 -1.692 25437 1072 1 2 . 1 1 97 97 PHE HA H 97 3.883 3.883 4.162 -0.279 25437 1073 1 2 . 1 1 97 97 PHE CA C 97 63.187 63.187 62.069 1.118 25437 1074 1 2 . 1 1 97 97 PHE CB C 97 40.401 40.401 39.417 0.984 25437 1075 1 2 . 1 1 97 97 PHE H H 97 8.369 8.369 7.633 0.736 25437 1076 1 2 . 1 1 98 98 GLU N N 98 119.148 119.148 117.820 1.328 25437 1077 1 2 . 1 1 98 98 GLU HA H 98 4.140 4.140 4.030 0.110 25437 1078 1 2 . 1 1 98 98 GLU CA C 98 59.610 59.610 58.726 0.884 25437 1079 1 2 . 1 1 98 98 GLU CB C 98 29.444 29.444 29.159 0.285 25437 1080 1 2 . 1 1 98 98 GLU H H 98 8.821 8.821 7.996 0.825 25437 1081 1 2 . 1 1 99 99 GLN N N 99 120.727 120.727 118.307 2.420 25437 1082 1 2 . 1 1 99 99 GLN HA H 99 4.061 4.061 4.190 -0.129 25437 1083 1 2 . 1 1 99 99 GLN CA C 99 59.130 59.130 57.991 1.139 25437 1084 1 2 . 1 1 99 99 GLN CB C 99 27.524 27.524 28.859 -1.335 25437 1085 1 2 . 1 1 99 99 GLN H H 99 8.436 8.436 8.061 0.375 25437 1086 1 2 . 1 1 100 100 ALA N N 100 122.603 122.603 122.668 -0.065 25437 1087 1 2 . 1 1 100 100 ALA HA H 100 3.886 3.886 4.043 -0.157 25437 1088 1 2 . 1 1 100 100 ALA CA C 100 55.399 55.399 54.840 0.559 25437 1089 1 2 . 1 1 100 100 ALA CB C 100 19.472 19.472 18.226 1.246 25437 1090 1 2 . 1 1 100 100 ALA H H 100 8.433 8.433 8.474 -0.041 25437 1091 1 2 . 1 1 101 101 GLY N N 101 104.253 104.253 104.671 -0.418 25437 1092 1 2 . 1 1 101 101 GLY CA C 101 47.843 47.843 46.334 1.509 25437 1093 1 2 . 1 1 101 101 GLY H H 101 9.035 9.035 7.911 1.124 25437 1094 1 2 . 1 1 102 102 LYS N N 102 121.912 121.912 121.589 0.323 25437 1095 1 2 . 1 1 102 102 LYS HA H 102 4.116 4.116 3.985 0.131 25437 1096 1 2 . 1 1 102 102 LYS CA C 102 59.314 59.314 59.497 -0.183 25437 1097 1 2 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.330 -0.151 25437 1098 1 2 . 1 1 102 102 LYS H H 102 7.928 7.928 7.890 0.038 25437 1099 1 2 . 1 1 103 103 GLU N N 103 119.382 119.382 118.594 0.788 25437 1100 1 2 . 1 1 103 103 GLU HA H 103 3.989 3.989 4.138 -0.149 25437 1101 1 2 . 1 1 103 103 GLU CA C 103 59.093 59.093 58.210 0.883 25437 1102 1 2 . 1 1 103 103 GLU CB C 103 30.127 30.127 29.391 0.736 25437 1103 1 2 . 1 1 103 103 GLU H H 103 8.406 8.406 7.639 0.767 25437 1104 1 2 . 1 1 104 104 LEU N N 104 115.551 115.551 118.986 -3.435 25437 1105 1 2 . 1 1 104 104 LEU HA H 104 4.360 4.360 4.130 0.230 25437 1106 1 2 . 1 1 104 104 LEU CA C 104 55.185 55.185 55.980 -0.795 25437 1107 1 2 . 1 1 104 104 LEU CB C 104 43.105 43.105 42.235 0.870 25437 1108 1 2 . 1 1 104 104 LEU H H 104 7.999 7.999 8.156 -0.157 25437 1109 1 2 . 1 1 105 105 GLY N N 105 110.561 110.561 105.954 4.607 25437 1110 1 2 . 1 1 105 105 GLY CA C 105 46.480 46.480 45.765 0.715 25437 1111 1 2 . 1 1 105 105 GLY H H 105 7.898 7.898 7.617 0.281 25437 1112 1 2 . 1 1 106 106 ILE N N 106 121.745 121.745 121.732 0.013 25437 1113 1 2 . 1 1 106 106 ILE HA H 106 4.227 4.227 3.997 0.230 25437 1114 1 2 . 1 1 106 106 ILE CA C 106 59.717 59.717 61.031 -1.314 25437 1115 1 2 . 1 1 106 106 ILE CB C 106 41.096 41.096 38.607 2.489 25437 1116 1 2 . 1 1 106 106 ILE H H 106 8.428 8.428 7.806 0.622 25437 1117 1 2 . 1 1 107 107 LYS N N 107 127.736 127.736 127.095 0.641 25437 1118 1 2 . 1 1 107 107 LYS HA H 107 4.275 4.275 4.152 0.123 25437 1119 1 2 . 1 1 107 107 LYS CA C 107 57.224 57.224 57.395 -0.171 25437 1120 1 2 . 1 1 107 107 LYS CB C 107 32.752 32.752 32.826 -0.074 25437 1121 1 2 . 1 1 107 107 LYS H H 107 8.489 8.489 8.623 -0.134 25437 1122 1 2 . 1 1 108 108 LEU N N 108 122.881 122.881 121.201 1.680 25437 1123 1 2 . 1 1 108 108 LEU HA H 108 5.235 5.235 4.642 0.593 25437 1124 1 2 . 1 1 108 108 LEU CA C 108 53.287 53.287 54.693 -1.406 25437 1125 1 2 . 1 1 108 108 LEU CB C 108 47.016 47.016 44.315 2.701 25437 1126 1 2 . 1 1 108 108 LEU H H 108 8.049 8.049 8.023 0.026 25437 1127 1 2 . 1 1 109 109 ARG N N 109 120.726 120.726 122.419 -1.693 25437 1128 1 2 . 1 1 109 109 ARG HA H 109 4.438 4.438 4.094 0.344 25437 1129 1 2 . 1 1 109 109 ARG CA C 109 55.193 55.193 54.108 1.085 25437 1130 1 2 . 1 1 109 109 ARG CB C 109 33.519 33.519 34.835 -1.316 25437 1131 1 2 . 1 1 109 109 ARG H H 109 8.736 8.736 7.804 0.932 25437 1132 1 2 . 1 1 110 110 PHE N N 110 121.516 121.516 117.005 4.511 25437 1133 1 2 . 1 1 110 110 PHE HA H 110 5.303 5.303 5.028 0.275 25437 1134 1 2 . 1 1 110 110 PHE CA C 110 56.644 56.644 55.408 1.236 25437 1135 1 2 . 1 1 110 110 PHE CB C 110 40.602 40.602 41.883 -1.281 25437 1136 1 2 . 1 1 110 110 PHE H H 110 8.707 8.707 8.272 0.435 25437 1137 1 2 . 1 1 111 111 GLY N N 111 108.992 108.992 109.104 -0.112 25437 1138 1 2 . 1 1 111 111 GLY CA C 111 45.604 45.604 44.596 1.008 25437 1139 1 2 . 1 1 111 111 GLY H H 111 7.819 7.819 8.477 -0.658 25437 1140 1 2 . 1 1 112 112 ALA N N 112 111.448 111.448 122.992 -11.544 25437 1141 1 2 . 1 1 112 112 ALA HA H 112 3.858 3.858 4.854 -0.996 25437 1142 1 2 . 1 1 112 112 ALA CA C 112 52.083 52.083 52.111 -0.028 25437 1143 1 2 . 1 1 112 112 ALA CB C 112 18.655 18.655 20.403 -1.748 25437 1144 1 2 . 1 1 112 112 ALA H H 112 7.945 7.945 7.551 0.394 25437 1145 1 2 . 1 1 113 113 ASP N N 113 106.770 106.770 120.515 -13.745 25437 1146 1 2 . 1 1 113 113 ASP HA H 113 5.157 5.157 4.404 0.753 25437 1147 1 2 . 1 1 113 113 ASP CA C 113 52.285 52.285 57.518 -5.233 25437 1148 1 2 . 1 1 113 113 ASP CB C 113 41.465 41.465 40.989 0.476 25437 1149 1 2 . 1 1 113 113 ASP H H 113 7.000 7.000 8.580 -1.580 25437 1150 1 2 . 1 1 114 114 TRP N N 114 119.829 119.829 120.593 -0.764 25437 1151 1 2 . 1 1 114 114 TRP HA H 114 4.184 4.184 4.324 -0.141 25437 1152 1 2 . 1 1 114 114 TRP CA C 114 61.455 61.455 59.669 1.786 25437 1153 1 2 . 1 1 114 114 TRP CB C 114 26.427 26.427 29.450 -3.023 25437 1154 1 2 . 1 1 114 114 TRP H H 114 7.589 7.589 8.185 -0.596 25437 1155 1 2 . 1 1 115 115 ASN N N 115 117.900 117.900 117.366 0.534 25437 1156 1 2 . 1 1 115 115 ASN HA H 115 4.548 4.548 4.193 0.355 25437 1157 1 2 . 1 1 115 115 ASN CA C 115 55.955 55.955 54.982 0.973 25437 1158 1 2 . 1 1 115 115 ASN CB C 115 36.818 36.818 37.644 -0.826 25437 1159 1 2 . 1 1 115 115 ASN H H 115 9.503 9.503 7.924 1.579 25437 1160 1 2 . 1 1 116 116 ALA N N 116 123.758 123.758 123.519 0.239 25437 1161 1 2 . 1 1 116 116 ALA HA H 116 4.181 4.181 3.896 0.285 25437 1162 1 2 . 1 1 116 116 ALA CA C 116 53.111 53.111 54.058 -0.947 25437 1163 1 2 . 1 1 116 116 ALA CB C 116 16.596 16.596 17.905 -1.309 25437 1164 1 2 . 1 1 116 116 ALA H H 116 8.079 8.079 7.646 0.433 25437 1165 1 2 . 1 1 117 117 SER N N 117 116.009 116.009 112.297 3.712 25437 1166 1 2 . 1 1 117 117 SER HA H 117 4.417 4.417 4.036 0.381 25437 1167 1 2 . 1 1 117 117 SER CA C 117 59.433 59.433 60.162 -0.729 25437 1168 1 2 . 1 1 117 117 SER CB C 117 65.026 65.026 63.187 1.839 25437 1169 1 2 . 1 1 117 117 SER H H 117 9.460 9.460 7.404 2.056 25437 1170 1 2 . 1 1 118 118 GLY N N 118 115.031 115.031 108.563 6.468 25437 1171 1 2 . 1 1 118 118 GLY CA C 118 45.197 45.197 45.255 -0.058 25437 1172 1 2 . 1 1 118 118 GLY H H 118 10.733 10.733 7.595 3.138 25437 1173 1 2 . 1 1 119 119 ASP N N 119 116.435 116.435 122.498 -6.063 25437 1174 1 2 . 1 1 119 119 ASP HA H 119 4.590 4.590 4.794 -0.204 25437 1175 1 2 . 1 1 119 119 ASP CA C 119 53.181 53.181 53.341 -0.160 25437 1176 1 2 . 1 1 119 119 ASP CB C 119 43.864 43.864 41.602 2.261 25437 1177 1 2 . 1 1 119 119 ASP H H 119 7.770 7.770 7.894 -0.124 25437 1178 1 2 . 1 1 120 120 TYR N N 120 120.253 120.253 121.992 -1.739 25437 1179 1 2 . 1 1 120 120 TYR HA H 120 6.088 6.088 4.515 1.573 25437 1180 1 2 . 1 1 120 120 TYR CA C 120 56.003 56.003 58.299 -2.296 25437 1181 1 2 . 1 1 120 120 TYR CB C 120 40.371 40.371 37.453 2.918 25437 1182 1 2 . 1 1 120 120 TYR H H 120 6.801 6.801 8.891 -2.090 25437 1183 1 2 . 1 1 121 121 HIS HA H 121 4.537 4.537 4.479 0.058 25437 1184 1 2 . 1 1 121 121 HIS CA C 121 59.002 59.002 57.698 1.304 25437 1185 1 2 . 1 1 121 121 HIS CB C 121 27.950 27.950 30.576 -2.626 25437 1186 1 2 . 1 1 122 122 ASP N N 122 111.622 111.622 119.583 -7.961 25437 1187 1 2 . 1 1 122 122 ASP HA H 122 4.815 4.815 4.650 0.165 25437 1188 1 2 . 1 1 122 122 ASP CA C 122 51.612 51.612 55.083 -3.471 25437 1189 1 2 . 1 1 122 122 ASP CB C 122 36.980 36.980 40.887 -3.907 25437 1190 1 2 . 1 1 122 122 ASP H H 122 8.154 8.154 8.570 -0.416 25437 1191 1 2 . 1 1 124 124 ILE N N 124 119.763 119.763 117.504 2.259 25437 1192 1 2 . 1 1 124 124 ILE HA H 124 3.843 3.843 3.793 0.050 25437 1193 1 2 . 1 1 124 124 ILE CA C 124 64.714 64.714 62.843 1.871 25437 1194 1 2 . 1 1 124 124 ILE CB C 124 36.859 36.859 37.228 -0.369 25437 1195 1 2 . 1 1 124 124 ILE H H 124 7.639 7.639 8.344 -0.705 25437 1196 1 2 . 1 1 125 125 LYS N N 125 121.010 121.010 116.988 4.022 25437 1197 1 2 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.005 0.104 25437 1198 1 2 . 1 1 125 125 LYS CA C 125 59.241 59.241 57.736 1.506 25437 1199 1 2 . 1 1 125 125 LYS CB C 125 31.985 31.985 31.654 0.331 25437 1200 1 2 . 1 1 125 125 LYS H H 125 7.739 7.739 8.210 -0.471 25437 1201 1 2 . 1 1 126 126 ARG N N 126 115.276 115.276 117.160 -1.884 25437 1202 1 2 . 1 1 126 126 ARG HA H 126 4.338 4.338 4.086 0.252 25437 1203 1 2 . 1 1 126 126 ARG CA C 126 57.189 57.189 57.408 -0.219 25437 1204 1 2 . 1 1 126 126 ARG CB C 126 31.015 31.015 31.258 -0.243 25437 1205 1 2 . 1 1 126 126 ARG H H 126 7.904 7.904 7.619 0.285 25437 1206 1 2 . 1 1 127 127 GLY N N 127 107.767 107.767 105.918 1.849 25437 1207 1 2 . 1 1 127 127 GLY CA C 127 45.822 45.822 44.752 1.070 25437 1208 1 2 . 1 1 127 127 GLY H H 127 7.912 7.912 7.515 0.397 25437 1209 1 2 . 1 1 128 128 THR N N 128 107.570 107.570 114.133 -6.563 25437 1210 1 2 . 1 1 128 128 THR HA H 128 4.252 4.252 4.479 -0.227 25437 1211 1 2 . 1 1 128 128 THR CA C 128 60.620 60.620 61.191 -0.571 25437 1212 1 2 . 1 1 128 128 THR CB C 128 69.224 69.224 70.139 -0.915 25437 1213 1 2 . 1 1 128 128 THR H H 128 8.121 8.121 7.795 0.326 25437 1214 1 2 . 1 1 129 129 TYR N N 129 123.143 123.143 125.596 -2.453 25437 1215 1 2 . 1 1 129 129 TYR HA H 129 4.173 4.173 4.703 -0.530 25437 1216 1 2 . 1 1 129 129 TYR CA C 129 61.448 61.448 57.524 3.924 25437 1217 1 2 . 1 1 129 129 TYR CB C 129 38.796 38.796 38.885 -0.089 25437 1218 1 2 . 1 1 129 129 TYR H H 129 7.209 7.209 8.797 -1.588 25437 1219 1 2 . 1 1 130 130 ASP N N 130 117.930 117.930 121.224 -3.294 25437 1220 1 2 . 1 1 130 130 ASP HA H 130 4.641 4.641 4.411 0.230 25437 1221 1 2 . 1 1 130 130 ASP CA C 130 53.440 53.440 56.690 -3.250 25437 1222 1 2 . 1 1 130 130 ASP CB C 130 43.221 43.221 40.837 2.384 25437 1223 1 2 . 1 1 130 130 ASP H H 130 8.216 8.216 7.757 0.459 25437 1224 1 2 . 1 1 132 132 GLY N N 132 107.481 107.481 110.366 -2.885 25437 1225 1 2 . 1 1 132 132 GLY CA C 132 44.013 44.013 45.355 -1.342 25437 1226 1 2 . 1 1 132 132 GLY H H 132 8.304 8.304 7.599 0.705 25437 1227 1 2 . 1 1 133 133 HIS N N 133 117.609 117.609 122.427 -4.818 25437 1228 1 2 . 1 1 133 133 HIS HA H 133 5.430 5.430 4.459 0.971 25437 1229 1 2 . 1 1 133 133 HIS CA C 133 57.155 57.155 56.598 0.557 25437 1230 1 2 . 1 1 133 133 HIS CB C 133 31.667 31.667 29.544 2.123 25437 1231 1 2 . 1 1 133 133 HIS H H 133 6.942 6.942 7.257 -0.315 25437 1232 1 2 . 1 1 134 134 VAL N N 134 133.201 133.201 123.006 10.195 25437 1233 1 2 . 1 1 134 134 VAL HA H 134 4.254 4.254 5.104 -0.850 25437 1234 1 2 . 1 1 134 134 VAL CA C 134 61.676 61.676 60.362 1.314 25437 1235 1 2 . 1 1 134 134 VAL CB C 134 34.775 34.775 33.937 0.838 25437 1236 1 2 . 1 1 134 134 VAL H H 134 9.127 9.127 8.230 0.897 25437 1237 1 2 . 1 1 135 135 GLU N N 135 119.904 119.904 124.542 -4.638 25437 1238 1 2 . 1 1 135 135 GLU HA H 135 5.458 5.458 4.947 0.511 25437 1239 1 2 . 1 1 135 135 GLU CA C 135 52.126 52.126 53.280 -1.154 25437 1240 1 2 . 1 1 135 135 GLU CB C 135 34.550 34.550 33.694 0.856 25437 1241 1 2 . 1 1 135 135 GLU H H 135 8.501 8.501 7.946 0.555 25437 1242 1 2 . 1 1 136 136 LEU N N 136 119.357 119.357 122.944 -3.587 25437 1243 1 2 . 1 1 136 136 LEU HA H 136 4.432 4.432 4.511 -0.079 25437 1244 1 2 . 1 1 136 136 LEU CA C 136 54.772 54.772 54.924 -0.152 25437 1245 1 2 . 1 1 136 136 LEU CB C 136 42.524 42.524 41.696 0.828 25437 1246 1 2 . 1 1 136 136 LEU H H 136 8.280 8.280 8.584 -0.304 25437 1247 1 3 . 1 1 3 3 PHE N N 3 121.785 121.785 126.662 -4.877 25437 1248 1 3 . 1 1 3 3 PHE HA H 3 4.792 4.792 4.064 0.728 25437 1249 1 3 . 1 1 3 3 PHE CA C 3 56.407 56.407 58.884 -2.477 25437 1250 1 3 . 1 1 3 3 PHE CB C 3 40.111 40.111 39.417 0.694 25437 1251 1 3 . 1 1 3 3 PHE H H 3 8.534 8.534 8.790 -0.256 25437 1252 1 3 . 1 1 4 4 LYS N N 4 119.409 119.409 124.027 -4.618 25437 1253 1 3 . 1 1 4 4 LYS HA H 4 4.452 4.452 4.049 0.403 25437 1254 1 3 . 1 1 4 4 LYS CA C 4 54.774 54.774 53.806 0.967 25437 1255 1 3 . 1 1 4 4 LYS CB C 4 35.710 35.710 35.008 0.702 25437 1256 1 3 . 1 1 4 4 LYS H H 4 8.367 8.367 7.208 1.159 25437 1257 1 3 . 1 1 5 5 PHE N N 5 124.495 124.495 120.861 3.634 25437 1258 1 3 . 1 1 5 5 PHE HA H 5 4.873 4.873 4.443 0.430 25437 1259 1 3 . 1 1 5 5 PHE CA C 5 58.636 58.636 57.212 1.424 25437 1260 1 3 . 1 1 5 5 PHE CB C 5 39.217 39.217 38.234 0.983 25437 1261 1 3 . 1 1 5 5 PHE H H 5 8.603 8.603 7.801 0.802 25437 1262 1 3 . 1 1 6 6 GLY N N 6 108.622 108.622 112.027 -3.405 25437 1263 1 3 . 1 1 6 6 GLY CA C 6 43.819 43.819 44.477 -0.658 25437 1264 1 3 . 1 1 6 6 GLY H H 6 8.559 8.559 8.350 0.209 25437 1265 1 3 . 1 1 7 7 LYS N N 7 119.341 119.341 121.222 -1.881 25437 1266 1 3 . 1 1 7 7 LYS HA H 7 3.958 3.958 4.042 -0.084 25437 1267 1 3 . 1 1 7 7 LYS CA C 7 60.087 60.087 59.414 0.673 25437 1268 1 3 . 1 1 7 7 LYS CB C 7 32.399 32.399 32.480 -0.081 25437 1269 1 3 . 1 1 7 7 LYS H H 7 8.692 8.692 8.658 0.034 25437 1270 1 3 . 1 1 8 8 ASN N N 8 118.555 118.555 115.841 2.714 25437 1271 1 3 . 1 1 8 8 ASN HA H 8 4.551 4.551 4.612 -0.061 25437 1272 1 3 . 1 1 8 8 ASN CA C 8 56.776 56.776 55.827 0.949 25437 1273 1 3 . 1 1 8 8 ASN CB C 8 36.961 36.961 37.788 -0.827 25437 1274 1 3 . 1 1 8 8 ASN H H 8 9.185 9.185 8.549 0.636 25437 1275 1 3 . 1 1 9 9 SER N N 9 118.632 118.632 117.599 1.033 25437 1276 1 3 . 1 1 9 9 SER HA H 9 4.283 4.283 4.141 0.142 25437 1277 1 3 . 1 1 9 9 SER CA C 9 62.790 62.790 61.916 0.874 25437 1278 1 3 . 1 1 9 9 SER CB C 9 62.790 62.790 62.628 0.162 25437 1279 1 3 . 1 1 9 9 SER H H 9 8.076 8.076 7.901 0.175 25437 1280 1 3 . 1 1 10 10 GLU N N 10 120.882 120.882 121.086 -0.204 25437 1281 1 3 . 1 1 10 10 GLU HA H 10 3.977 3.977 4.091 -0.114 25437 1282 1 3 . 1 1 10 10 GLU CA C 10 59.409 59.409 59.711 -0.302 25437 1283 1 3 . 1 1 10 10 GLU CB C 10 28.556 28.556 29.645 -1.089 25437 1284 1 3 . 1 1 10 10 GLU H H 10 8.351 8.351 8.407 -0.056 25437 1285 1 3 . 1 1 11 11 LYS N N 11 120.030 120.030 118.796 1.234 25437 1286 1 3 . 1 1 11 11 LYS HA H 11 4.056 4.056 4.107 -0.051 25437 1287 1 3 . 1 1 11 11 LYS CA C 11 59.477 59.477 58.854 0.623 25437 1288 1 3 . 1 1 11 11 LYS CB C 11 32.032 32.032 32.260 -0.228 25437 1289 1 3 . 1 1 11 11 LYS H H 11 7.937 7.937 7.493 0.444 25437 1290 1 3 . 1 1 12 12 GLN N N 12 114.749 114.749 119.223 -4.474 25437 1291 1 3 . 1 1 12 12 GLN HA H 12 4.147 4.147 4.056 0.091 25437 1292 1 3 . 1 1 12 12 GLN CA C 12 57.373 57.373 59.114 -1.741 25437 1293 1 3 . 1 1 12 12 GLN CB C 12 28.511 28.511 28.597 -0.086 25437 1294 1 3 . 1 1 12 12 GLN H H 12 7.562 7.562 8.093 -0.531 25437 1295 1 3 . 1 1 13 13 LEU N N 13 121.751 121.751 117.899 3.852 25437 1296 1 3 . 1 1 13 13 LEU HA H 13 3.880 3.880 4.261 -0.381 25437 1297 1 3 . 1 1 13 13 LEU CA C 13 57.080 57.080 56.299 0.781 25437 1298 1 3 . 1 1 13 13 LEU CB C 13 42.413 42.413 40.380 2.034 25437 1299 1 3 . 1 1 13 13 LEU H H 13 8.725 8.725 8.207 0.518 25437 1300 1 3 . 1 1 14 14 ALA N N 14 116.323 116.323 120.383 -4.060 25437 1301 1 3 . 1 1 14 14 ALA HA H 14 4.070 4.070 4.313 -0.243 25437 1302 1 3 . 1 1 14 14 ALA CA C 14 53.706 53.706 53.886 -0.180 25437 1303 1 3 . 1 1 14 14 ALA CB C 14 18.020 18.020 19.149 -1.129 25437 1304 1 3 . 1 1 14 14 ALA H H 14 7.574 7.574 7.526 0.048 25437 1305 1 3 . 1 1 15 15 THR N N 15 104.034 104.034 109.399 -5.365 25437 1306 1 3 . 1 1 15 15 THR HA H 15 4.431 4.431 4.389 0.042 25437 1307 1 3 . 1 1 15 15 THR CA C 15 62.381 62.381 61.614 0.767 25437 1308 1 3 . 1 1 15 15 THR CB C 15 70.327 70.327 69.667 0.660 25437 1309 1 3 . 1 1 15 15 THR H H 15 7.326 7.326 7.397 -0.071 25437 1310 1 3 . 1 1 16 16 VAL N N 16 112.438 112.438 121.560 -9.122 25437 1311 1 3 . 1 1 16 16 VAL HA H 16 4.922 4.922 3.827 1.095 25437 1312 1 3 . 1 1 16 16 VAL CA C 16 59.661 59.661 63.256 -3.595 25437 1313 1 3 . 1 1 16 16 VAL CB C 16 32.989 32.989 32.714 0.275 25437 1314 1 3 . 1 1 16 16 VAL H H 16 7.164 7.164 7.211 -0.047 25437 1315 1 3 . 1 1 17 17 LYS N N 17 120.729 120.729 128.335 -7.606 25437 1316 1 3 . 1 1 17 17 LYS HA H 17 4.230 4.230 4.360 -0.130 25437 1317 1 3 . 1 1 17 17 LYS CA C 17 55.486 55.486 57.989 -2.503 25437 1318 1 3 . 1 1 17 17 LYS CB C 17 32.079 32.079 31.027 1.052 25437 1319 1 3 . 1 1 17 17 LYS H H 17 8.907 8.907 8.744 0.163 25437 1320 1 3 . 1 1 18 18 PRO HA H 18 4.130 4.130 4.441 -0.311 25437 1321 1 3 . 1 1 18 18 PRO CA C 18 65.813 65.813 62.931 2.882 25437 1322 1 3 . 1 1 18 18 PRO CB C 18 31.864 31.864 32.152 -0.288 25437 1323 1 3 . 1 1 19 19 GLU N N 19 117.608 117.608 117.570 0.038 25437 1324 1 3 . 1 1 19 19 GLU HA H 19 4.011 4.011 4.500 -0.489 25437 1325 1 3 . 1 1 19 19 GLU CA C 19 61.031 61.031 56.243 4.788 25437 1326 1 3 . 1 1 19 19 GLU CB C 19 29.117 29.117 28.789 0.328 25437 1327 1 3 . 1 1 19 19 GLU H H 19 9.714 9.714 8.753 0.961 25437 1328 1 3 . 1 1 20 20 LEU N N 20 117.938 117.938 118.544 -0.606 25437 1329 1 3 . 1 1 20 20 LEU HA H 20 4.258 4.258 3.978 0.280 25437 1330 1 3 . 1 1 20 20 LEU CA C 20 56.261 56.261 58.078 -1.817 25437 1331 1 3 . 1 1 20 20 LEU CB C 20 41.894 41.894 40.680 1.214 25437 1332 1 3 . 1 1 20 20 LEU H H 20 7.188 7.188 7.917 -0.729 25437 1333 1 3 . 1 1 21 21 GLN N N 21 118.367 118.367 117.994 0.373 25437 1334 1 3 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.001 -0.170 25437 1335 1 3 . 1 1 21 21 GLN CA C 21 60.100 60.100 58.513 1.587 25437 1336 1 3 . 1 1 21 21 GLN CB C 21 27.745 27.745 27.796 -0.050 25437 1337 1 3 . 1 1 21 21 GLN H H 21 7.805 7.805 8.437 -0.632 25437 1338 1 3 . 1 1 22 22 LYS N N 22 116.715 116.715 120.217 -3.502 25437 1339 1 3 . 1 1 22 22 LYS HA H 22 3.962 3.962 3.971 -0.009 25437 1340 1 3 . 1 1 22 22 LYS CA C 22 59.816 59.816 59.573 0.243 25437 1341 1 3 . 1 1 22 22 LYS CB C 22 32.520 32.520 32.042 0.478 25437 1342 1 3 . 1 1 22 22 LYS H H 22 8.143 8.143 8.191 -0.048 25437 1343 1 3 . 1 1 23 23 VAL N N 23 118.397 118.397 119.086 -0.689 25437 1344 1 3 . 1 1 23 23 VAL HA H 23 3.591 3.591 3.542 0.049 25437 1345 1 3 . 1 1 23 23 VAL CA C 23 66.313 66.313 66.265 0.048 25437 1346 1 3 . 1 1 23 23 VAL CB C 23 31.529 31.529 31.292 0.237 25437 1347 1 3 . 1 1 23 23 VAL H H 23 7.715 7.715 7.517 0.198 25437 1348 1 3 . 1 1 24 24 ALA N N 24 121.929 121.929 121.897 0.032 25437 1349 1 3 . 1 1 24 24 ALA HA H 24 4.024 4.024 3.433 0.591 25437 1350 1 3 . 1 1 24 24 ALA CA C 24 55.444 55.444 55.285 0.159 25437 1351 1 3 . 1 1 24 24 ALA CB C 24 18.086 18.086 18.428 -0.342 25437 1352 1 3 . 1 1 24 24 ALA H H 24 8.307 8.307 7.398 0.909 25437 1353 1 3 . 1 1 25 25 ARG N N 25 114.491 114.491 117.954 -3.463 25437 1354 1 3 . 1 1 25 25 ARG HA H 25 4.114 4.114 4.205 -0.091 25437 1355 1 3 . 1 1 25 25 ARG CA C 25 60.717 60.717 59.716 1.001 25437 1356 1 3 . 1 1 25 25 ARG CB C 25 29.257 29.257 30.196 -0.939 25437 1357 1 3 . 1 1 25 25 ARG H H 25 8.224 8.224 8.462 -0.238 25437 1358 1 3 . 1 1 26 26 ARG N N 26 119.944 119.944 119.427 0.517 25437 1359 1 3 . 1 1 26 26 ARG HA H 26 4.223 4.223 4.007 0.216 25437 1360 1 3 . 1 1 26 26 ARG CA C 26 57.097 57.097 59.053 -1.956 25437 1361 1 3 . 1 1 26 26 ARG CB C 26 28.888 28.888 30.107 -1.219 25437 1362 1 3 . 1 1 26 26 ARG H H 26 7.703 7.703 8.132 -0.429 25437 1363 1 3 . 1 1 27 27 ALA N N 27 122.041 122.041 122.402 -0.361 25437 1364 1 3 . 1 1 27 27 ALA HA H 27 3.611 3.611 3.913 -0.302 25437 1365 1 3 . 1 1 27 27 ALA CA C 27 55.249 55.249 54.901 0.348 25437 1366 1 3 . 1 1 27 27 ALA CB C 27 15.829 15.829 17.753 -1.924 25437 1367 1 3 . 1 1 27 27 ALA H H 27 8.754 8.754 8.270 0.484 25437 1368 1 3 . 1 1 28 28 LEU N N 28 117.421 117.421 118.859 -1.438 25437 1369 1 3 . 1 1 28 28 LEU HA H 28 4.053 4.053 4.261 -0.208 25437 1370 1 3 . 1 1 28 28 LEU CA C 28 57.757 57.757 58.242 -0.485 25437 1371 1 3 . 1 1 28 28 LEU CB C 28 40.351 40.351 41.622 -1.271 25437 1372 1 3 . 1 1 28 28 LEU H H 28 7.657 7.657 7.983 -0.326 25437 1373 1 3 . 1 1 29 29 GLU N N 29 114.911 114.911 117.005 -2.094 25437 1374 1 3 . 1 1 29 29 GLU HA H 29 4.023 4.023 4.170 -0.147 25437 1375 1 3 . 1 1 29 29 GLU CA C 29 58.489 58.489 58.119 0.370 25437 1376 1 3 . 1 1 29 29 GLU CB C 29 29.540 29.540 30.113 -0.573 25437 1377 1 3 . 1 1 29 29 GLU H H 29 7.039 7.039 7.516 -0.477 25437 1378 1 3 . 1 1 30 30 LEU N N 30 117.166 117.166 118.983 -1.817 25437 1379 1 3 . 1 1 30 30 LEU HA H 30 4.281 4.281 4.022 0.259 25437 1380 1 3 . 1 1 30 30 LEU CA C 30 55.266 55.266 56.694 -1.429 25437 1381 1 3 . 1 1 30 30 LEU CB C 30 44.403 44.403 42.349 2.054 25437 1382 1 3 . 1 1 30 30 LEU H H 30 7.353 7.353 8.134 -0.781 25437 1383 1 3 . 1 1 31 31 SER N N 31 116.260 116.260 114.695 1.565 25437 1384 1 3 . 1 1 31 31 SER HA H 31 4.557 4.557 4.279 0.278 25437 1385 1 3 . 1 1 31 31 SER CA C 31 55.723 55.723 57.652 -1.929 25437 1386 1 3 . 1 1 31 31 SER CB C 31 65.560 65.560 64.262 1.298 25437 1387 1 3 . 1 1 31 31 SER H H 31 7.742 7.742 7.841 -0.099 25437 1388 1 3 . 1 1 32 32 PRO HA H 32 4.609 4.609 4.266 0.343 25437 1389 1 3 . 1 1 32 32 PRO CA C 32 63.483 63.483 64.172 -0.689 25437 1390 1 3 . 1 1 32 32 PRO CB C 32 31.236 31.236 31.632 -0.396 25437 1391 1 3 . 1 1 33 33 TYR N N 33 114.714 114.714 118.442 -3.728 25437 1392 1 3 . 1 1 33 33 TYR HA H 33 4.710 4.710 4.670 0.040 25437 1393 1 3 . 1 1 33 33 TYR CA C 33 56.742 56.742 55.721 1.021 25437 1394 1 3 . 1 1 33 33 TYR CB C 33 41.506 41.506 38.964 2.542 25437 1395 1 3 . 1 1 33 33 TYR H H 33 7.727 7.727 7.161 0.566 25437 1396 1 3 . 1 1 34 34 ASP N N 34 125.197 125.197 120.829 4.368 25437 1397 1 3 . 1 1 34 34 ASP HA H 34 3.524 3.524 4.634 -1.110 25437 1398 1 3 . 1 1 34 34 ASP CA C 34 52.353 52.353 55.423 -3.070 25437 1399 1 3 . 1 1 34 34 ASP CB C 34 37.720 37.720 42.005 -4.285 25437 1400 1 3 . 1 1 34 34 ASP H H 34 8.630 8.630 8.915 -0.285 25437 1401 1 3 . 1 1 35 35 PHE N N 35 115.803 115.803 112.737 3.066 25437 1402 1 3 . 1 1 35 35 PHE HA H 35 5.131 5.131 5.490 -0.359 25437 1403 1 3 . 1 1 35 35 PHE CA C 35 55.839 55.839 56.841 -1.002 25437 1404 1 3 . 1 1 35 35 PHE CB C 35 40.751 40.751 42.570 -1.819 25437 1405 1 3 . 1 1 35 35 PHE H H 35 7.250 7.250 8.066 -0.816 25437 1406 1 3 . 1 1 36 36 THR N N 36 113.338 113.338 117.542 -4.204 25437 1407 1 3 . 1 1 36 36 THR HA H 36 4.769 4.769 4.395 0.374 25437 1408 1 3 . 1 1 36 36 THR CA C 36 58.833 58.833 59.209 -0.376 25437 1409 1 3 . 1 1 36 36 THR CB C 36 71.387 71.387 69.967 1.420 25437 1410 1 3 . 1 1 36 36 THR H H 36 9.026 9.026 8.713 0.313 25437 1411 1 3 . 1 1 37 37 ILE N N 37 124.219 124.219 127.494 -3.275 25437 1412 1 3 . 1 1 37 37 ILE HA H 37 4.676 4.676 4.216 0.460 25437 1413 1 3 . 1 1 37 37 ILE CA C 37 58.395 58.395 62.081 -3.686 25437 1414 1 3 . 1 1 37 37 ILE CB C 37 34.649 34.649 37.629 -2.980 25437 1415 1 3 . 1 1 37 37 ILE H H 37 8.476 8.476 9.037 -0.561 25437 1416 1 3 . 1 1 38 38 VAL N N 38 124.271 124.271 126.458 -2.187 25437 1417 1 3 . 1 1 38 38 VAL HA H 38 3.981 3.981 4.192 -0.211 25437 1418 1 3 . 1 1 38 38 VAL CA C 38 63.144 63.144 63.456 -0.312 25437 1419 1 3 . 1 1 38 38 VAL CB C 38 32.658 32.658 32.943 -0.284 25437 1420 1 3 . 1 1 38 38 VAL H H 38 8.640 8.640 8.699 -0.059 25437 1421 1 3 . 1 1 39 39 GLN N N 39 115.210 115.210 116.430 -1.220 25437 1422 1 3 . 1 1 39 39 GLN HA H 39 4.378 4.378 4.671 -0.293 25437 1423 1 3 . 1 1 39 39 GLN CA C 39 56.197 56.197 55.503 0.694 25437 1424 1 3 . 1 1 39 39 GLN CB C 39 33.463 33.463 32.811 0.652 25437 1425 1 3 . 1 1 39 39 GLN H H 39 7.305 7.305 7.846 -0.541 25437 1426 1 3 . 1 1 40 40 GLY N N 40 116.022 116.022 110.733 5.289 25437 1427 1 3 . 1 1 40 40 GLY CA C 40 45.347 45.347 45.391 -0.044 25437 1428 1 3 . 1 1 40 40 GLY H H 40 8.851 8.851 9.441 -0.590 25437 1429 1 3 . 1 1 41 41 ILE N N 41 132.358 132.358 119.796 12.562 25437 1430 1 3 . 1 1 41 41 ILE HA H 41 4.715 4.715 4.569 0.146 25437 1431 1 3 . 1 1 41 41 ILE CA C 41 61.575 61.575 58.751 2.824 25437 1432 1 3 . 1 1 41 41 ILE CB C 41 38.774 38.774 42.017 -3.243 25437 1433 1 3 . 1 1 41 41 ILE H H 41 8.776 8.776 8.661 0.115 25437 1434 1 3 . 1 1 42 42 ARG N N 42 123.358 123.358 126.726 -3.368 25437 1435 1 3 . 1 1 42 42 ARG HA H 42 4.725 4.725 4.602 0.123 25437 1436 1 3 . 1 1 42 42 ARG CA C 42 54.576 54.576 55.737 -1.161 25437 1437 1 3 . 1 1 42 42 ARG CB C 42 33.425 33.425 31.425 2.000 25437 1438 1 3 . 1 1 42 42 ARG H H 42 7.154 7.154 8.573 -1.419 25437 1439 1 3 . 1 1 43 43 THR N N 43 115.494 115.494 115.462 0.032 25437 1440 1 3 . 1 1 43 43 THR HA H 43 4.539 4.539 4.653 -0.114 25437 1441 1 3 . 1 1 43 43 THR CA C 43 61.022 61.022 60.852 0.170 25437 1442 1 3 . 1 1 43 43 THR CB C 43 70.577 70.577 70.481 0.096 25437 1443 1 3 . 1 1 43 43 THR H H 43 8.519 8.519 8.242 0.278 25437 1444 1 3 . 1 1 44 44 VAL N N 44 121.526 121.526 116.033 5.493 25437 1445 1 3 . 1 1 44 44 VAL HA H 44 3.956 3.956 4.278 -0.322 25437 1446 1 3 . 1 1 44 44 VAL CA C 44 63.977 63.977 64.203 -0.226 25437 1447 1 3 . 1 1 44 44 VAL CB C 44 32.313 32.313 31.707 0.605 25437 1448 1 3 . 1 1 44 44 VAL H H 44 8.516 8.516 8.305 0.211 25437 1449 1 3 . 1 1 45 45 ALA N N 45 125.457 125.457 121.434 4.023 25437 1450 1 3 . 1 1 45 45 ALA HA H 45 4.260 4.260 4.385 -0.125 25437 1451 1 3 . 1 1 45 45 ALA CA C 45 53.278 53.278 53.524 -0.246 25437 1452 1 3 . 1 1 45 45 ALA CB C 45 18.641 18.641 19.250 -0.609 25437 1453 1 3 . 1 1 45 45 ALA H H 45 8.311 8.311 7.990 0.321 25437 1454 1 3 . 1 1 46 46 GLN N N 46 118.271 118.271 120.813 -2.542 25437 1455 1 3 . 1 1 46 46 GLN HA H 46 4.232 4.232 4.086 0.146 25437 1456 1 3 . 1 1 46 46 GLN CA C 46 56.717 56.717 58.492 -1.775 25437 1457 1 3 . 1 1 46 46 GLN CB C 46 28.901 28.901 28.373 0.528 25437 1458 1 3 . 1 1 46 46 GLN H H 46 8.109 8.109 8.424 -0.315 25437 1459 1 3 . 1 1 47 47 SER N N 47 116.127 116.127 115.748 0.379 25437 1460 1 3 . 1 1 47 47 SER HA H 47 4.361 4.361 4.128 0.233 25437 1461 1 3 . 1 1 47 47 SER CA C 47 59.082 59.082 61.099 -2.017 25437 1462 1 3 . 1 1 47 47 SER CB C 47 64.009 64.009 62.873 1.136 25437 1463 1 3 . 1 1 47 47 SER H H 47 8.199 8.199 7.809 0.390 25437 1464 1 3 . 1 1 48 48 ALA N N 48 124.628 124.628 125.173 -0.545 25437 1465 1 3 . 1 1 48 48 ALA HA H 48 4.253 4.253 4.663 -0.410 25437 1466 1 3 . 1 1 48 48 ALA CA C 48 53.325 53.325 53.807 -0.482 25437 1467 1 3 . 1 1 48 48 ALA CB C 48 18.552 18.552 18.689 -0.137 25437 1468 1 3 . 1 1 48 48 ALA H H 48 8.315 8.315 8.325 -0.010 25437 1469 1 3 . 1 1 49 49 GLN N N 49 119.160 119.160 118.122 1.038 25437 1470 1 3 . 1 1 49 49 GLN HA H 49 4.232 4.232 4.195 0.037 25437 1471 1 3 . 1 1 49 49 GLN CA C 49 56.850 56.850 56.740 0.110 25437 1472 1 3 . 1 1 49 49 GLN CB C 49 28.992 28.992 28.496 0.496 25437 1473 1 3 . 1 1 49 49 GLN H H 49 8.153 8.153 7.929 0.224 25437 1474 1 3 . 1 1 50 50 ASN N N 50 119.112 119.112 120.089 -0.977 25437 1475 1 3 . 1 1 50 50 ASN HA H 50 4.660 4.660 4.465 0.195 25437 1476 1 3 . 1 1 50 50 ASN CA C 50 53.572 53.572 56.513 -2.941 25437 1477 1 3 . 1 1 50 50 ASN CB C 50 38.376 38.376 38.355 0.021 25437 1478 1 3 . 1 1 50 50 ASN H H 50 8.205 8.205 8.087 0.118 25437 1479 1 3 . 1 1 51 51 ILE N N 51 120.639 120.639 117.652 2.987 25437 1480 1 3 . 1 1 51 51 ILE HA H 51 4.095 4.095 4.167 -0.072 25437 1481 1 3 . 1 1 51 51 ILE CA C 51 61.954 61.954 62.050 -0.096 25437 1482 1 3 . 1 1 51 51 ILE CB C 51 38.414 38.414 36.047 2.367 25437 1483 1 3 . 1 1 51 51 ILE H H 51 7.939 7.939 7.303 0.636 25437 1484 1 3 . 1 1 52 52 ALA N N 52 126.459 126.459 123.962 2.497 25437 1485 1 3 . 1 1 52 52 ALA HA H 52 4.246 4.246 3.954 0.292 25437 1486 1 3 . 1 1 52 52 ALA CA C 52 53.189 53.189 54.772 -1.583 25437 1487 1 3 . 1 1 52 52 ALA CB C 52 18.453 18.453 18.220 0.233 25437 1488 1 3 . 1 1 52 52 ALA H H 52 8.251 8.251 8.288 -0.037 25437 1489 1 3 . 1 1 53 53 ASN N N 53 116.801 116.801 116.528 0.273 25437 1490 1 3 . 1 1 53 53 ASN HA H 53 4.648 4.648 4.533 0.115 25437 1491 1 3 . 1 1 53 53 ASN CA C 53 53.425 53.425 54.790 -1.365 25437 1492 1 3 . 1 1 53 53 ASN CB C 53 38.600 38.600 39.038 -0.438 25437 1493 1 3 . 1 1 53 53 ASN H H 53 8.230 8.230 7.769 0.461 25437 1494 1 3 . 1 1 54 54 GLY N N 54 108.549 108.549 107.515 1.034 25437 1495 1 3 . 1 1 54 54 GLY CA C 54 45.746 45.746 45.258 0.488 25437 1496 1 3 . 1 1 54 54 GLY H H 54 8.191 8.191 7.849 0.342 25437 1497 1 3 . 1 1 55 55 THR N N 55 112.528 112.528 115.669 -3.141 25437 1498 1 3 . 1 1 55 55 THR HA H 55 4.282 4.282 4.635 -0.353 25437 1499 1 3 . 1 1 55 55 THR CA C 55 62.118 62.118 61.063 1.054 25437 1500 1 3 . 1 1 55 55 THR CB C 55 69.796 69.796 69.859 -0.063 25437 1501 1 3 . 1 1 55 55 THR H H 55 8.003 8.003 7.669 0.334 25437 1502 1 3 . 1 1 56 56 SER N N 56 116.986 116.986 122.903 -5.917 25437 1503 1 3 . 1 1 56 56 SER HA H 56 4.362 4.362 4.359 0.003 25437 1504 1 3 . 1 1 56 56 SER CA C 56 58.454 58.454 60.164 -1.710 25437 1505 1 3 . 1 1 56 56 SER CB C 56 63.762 63.762 63.155 0.607 25437 1506 1 3 . 1 1 56 56 SER H H 56 8.043 8.043 8.465 -0.422 25437 1507 1 3 . 1 1 57 57 PHE N N 57 121.981 121.981 122.731 -0.750 25437 1508 1 3 . 1 1 57 57 PHE HA H 57 4.579 4.579 4.313 0.266 25437 1509 1 3 . 1 1 57 57 PHE CA C 57 57.929 57.929 60.709 -2.780 25437 1510 1 3 . 1 1 57 57 PHE CB C 57 39.068 39.068 38.943 0.125 25437 1511 1 3 . 1 1 57 57 PHE H H 57 8.120 8.120 7.997 0.123 25437 1512 1 3 . 1 1 58 58 LEU N N 58 121.621 121.621 119.276 2.345 25437 1513 1 3 . 1 1 58 58 LEU HA H 58 4.174 4.174 4.551 -0.377 25437 1514 1 3 . 1 1 58 58 LEU CA C 58 55.350 55.350 54.176 1.174 25437 1515 1 3 . 1 1 58 58 LEU CB C 58 42.340 42.340 40.103 2.237 25437 1516 1 3 . 1 1 58 58 LEU H H 58 7.806 7.806 7.626 0.180 25437 1517 1 3 . 1 1 59 59 LYS N N 59 120.388 120.388 119.780 0.608 25437 1518 1 3 . 1 1 59 59 LYS HA H 59 4.230 4.230 4.071 0.159 25437 1519 1 3 . 1 1 59 59 LYS CA C 59 55.823 55.823 56.539 -0.716 25437 1520 1 3 . 1 1 59 59 LYS CB C 59 32.616 32.616 32.653 -0.037 25437 1521 1 3 . 1 1 59 59 LYS H H 59 8.068 8.068 7.691 0.377 25437 1522 1 3 . 1 1 60 60 ASP N N 60 121.094 121.094 117.569 3.525 25437 1523 1 3 . 1 1 60 60 ASP HA H 60 4.828 4.828 4.596 0.232 25437 1524 1 3 . 1 1 60 60 ASP CA C 60 53.698 53.698 54.594 -0.896 25437 1525 1 3 . 1 1 60 60 ASP CB C 60 41.652 41.652 38.928 2.724 25437 1526 1 3 . 1 1 60 60 ASP H H 60 7.959 7.959 8.710 -0.751 25437 1527 1 3 . 1 1 61 61 PRO HA H 61 4.388 4.388 4.474 -0.086 25437 1528 1 3 . 1 1 61 61 PRO CA C 61 63.263 63.263 63.092 0.172 25437 1529 1 3 . 1 1 61 61 PRO CB C 61 31.697 31.697 32.456 -0.759 25437 1530 1 3 . 1 1 62 62 SER N N 62 115.353 115.353 116.482 -1.129 25437 1531 1 3 . 1 1 62 62 SER HA H 62 4.365 4.365 4.603 -0.238 25437 1532 1 3 . 1 1 62 62 SER CA C 62 59.258 59.258 57.766 1.492 25437 1533 1 3 . 1 1 62 62 SER CB C 62 63.634 63.634 63.606 0.028 25437 1534 1 3 . 1 1 62 62 SER H H 62 8.420 8.420 8.571 -0.151 25437 1535 1 3 . 1 1 63 63 LYS N N 63 122.360 122.360 121.874 0.486 25437 1536 1 3 . 1 1 63 63 LYS HA H 63 4.266 4.266 4.292 -0.026 25437 1537 1 3 . 1 1 63 63 LYS CA C 63 56.628 56.628 57.440 -0.812 25437 1538 1 3 . 1 1 63 63 LYS CB C 63 29.327 29.327 32.742 -3.416 25437 1539 1 3 . 1 1 63 63 LYS H H 63 8.405 8.405 8.299 0.106 25437 1540 1 3 . 1 1 65 65 LYS N N 65 125.418 125.418 120.424 4.994 25437 1541 1 3 . 1 1 65 65 LYS HA H 65 4.146 4.146 4.416 -0.270 25437 1542 1 3 . 1 1 65 65 LYS CA C 65 63.350 63.350 58.909 4.441 25437 1543 1 3 . 1 1 65 65 LYS CB C 65 31.891 31.891 33.052 -1.161 25437 1544 1 3 . 1 1 65 65 LYS H H 65 8.369 8.369 8.838 -0.469 25437 1545 1 3 . 1 1 66 66 HIS N N 66 121.236 121.236 119.019 2.217 25437 1546 1 3 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.408 0.137 25437 1547 1 3 . 1 1 66 66 HIS CA C 66 59.256 59.256 59.249 0.007 25437 1548 1 3 . 1 1 66 66 HIS CB C 66 28.619 28.619 29.263 -0.644 25437 1549 1 3 . 1 1 66 66 HIS H H 66 8.758 8.758 8.833 -0.075 25437 1550 1 3 . 1 1 67 67 ILE N N 67 120.137 120.137 118.145 1.992 25437 1551 1 3 . 1 1 67 67 ILE HA H 67 4.372 4.372 3.966 0.406 25437 1552 1 3 . 1 1 67 67 ILE CA C 67 63.961 63.961 63.449 0.512 25437 1553 1 3 . 1 1 67 67 ILE CB C 67 37.935 37.935 36.383 1.552 25437 1554 1 3 . 1 1 67 67 ILE H H 67 7.849 7.849 8.096 -0.247 25437 1555 1 3 . 1 1 68 68 THR N N 68 104.067 104.067 112.098 -8.031 25437 1556 1 3 . 1 1 68 68 THR HA H 68 4.397 4.397 4.436 -0.039 25437 1557 1 3 . 1 1 68 68 THR CA C 68 61.343 61.343 61.485 -0.142 25437 1558 1 3 . 1 1 68 68 THR CB C 68 68.473 68.473 69.877 -1.404 25437 1559 1 3 . 1 1 68 68 THR H H 68 7.168 7.168 7.874 -0.706 25437 1560 1 3 . 1 1 69 69 GLY N N 69 107.308 107.308 110.227 -2.919 25437 1561 1 3 . 1 1 69 69 GLY CA C 69 46.665 46.665 46.247 0.418 25437 1562 1 3 . 1 1 69 69 GLY H H 69 7.169 7.169 7.593 -0.424 25437 1563 1 3 . 1 1 70 70 ASP N N 70 114.629 114.629 119.204 -4.575 25437 1564 1 3 . 1 1 70 70 ASP HA H 70 4.734 4.734 4.700 0.034 25437 1565 1 3 . 1 1 70 70 ASP CA C 70 54.627 54.627 54.352 0.274 25437 1566 1 3 . 1 1 70 70 ASP CB C 70 44.451 44.451 41.306 3.145 25437 1567 1 3 . 1 1 70 70 ASP H H 70 7.644 7.644 7.674 -0.030 25437 1568 1 3 . 1 1 71 71 ALA N N 71 118.917 118.917 117.682 1.235 25437 1569 1 3 . 1 1 71 71 ALA HA H 71 5.062 5.062 4.754 0.308 25437 1570 1 3 . 1 1 71 71 ALA CA C 71 51.498 51.498 51.089 0.409 25437 1571 1 3 . 1 1 71 71 ALA CB C 71 21.994 21.994 21.764 0.230 25437 1572 1 3 . 1 1 71 71 ALA H H 71 7.529 7.529 7.268 0.261 25437 1573 1 3 . 1 1 72 72 ILE N N 72 110.818 110.818 113.229 -2.411 25437 1574 1 3 . 1 1 72 72 ILE HA H 72 5.249 5.249 4.411 0.838 25437 1575 1 3 . 1 1 72 72 ILE CA C 72 58.821 58.821 60.417 -1.596 25437 1576 1 3 . 1 1 72 72 ILE CB C 72 43.709 43.709 42.017 1.692 25437 1577 1 3 . 1 1 72 72 ILE H H 72 8.449 8.449 8.843 -0.394 25437 1578 1 3 . 1 1 73 73 ASP N N 73 117.790 117.790 120.972 -3.182 25437 1579 1 3 . 1 1 73 73 ASP HA H 73 6.094 6.094 5.436 0.658 25437 1580 1 3 . 1 1 73 73 ASP CA C 73 52.090 52.090 53.140 -1.050 25437 1581 1 3 . 1 1 73 73 ASP CB C 73 42.655 42.655 45.237 -2.582 25437 1582 1 3 . 1 1 73 73 ASP H H 73 8.442 8.442 8.831 -0.389 25437 1583 1 3 . 1 1 74 74 PHE N N 74 122.479 122.479 120.596 1.883 25437 1584 1 3 . 1 1 74 74 PHE HA H 74 6.173 6.173 5.470 0.703 25437 1585 1 3 . 1 1 74 74 PHE CA C 74 54.775 54.775 55.984 -1.209 25437 1586 1 3 . 1 1 74 74 PHE CB C 74 44.115 44.115 42.661 1.454 25437 1587 1 3 . 1 1 74 74 PHE H H 74 9.463 9.463 8.539 0.924 25437 1588 1 3 . 1 1 75 75 ALA N N 75 118.862 118.862 121.131 -2.269 25437 1589 1 3 . 1 1 75 75 ALA HA H 75 4.453 4.453 4.207 0.246 25437 1590 1 3 . 1 1 75 75 ALA CA C 75 50.134 50.134 48.972 1.162 25437 1591 1 3 . 1 1 75 75 ALA CB C 75 21.020 21.020 20.997 0.024 25437 1592 1 3 . 1 1 75 75 ALA H H 75 8.575 8.575 9.162 -0.587 25437 1593 1 3 . 1 1 76 76 PRO HA H 76 4.466 4.466 4.765 -0.299 25437 1594 1 3 . 1 1 76 76 PRO CA C 76 62.353 62.353 62.862 -0.509 25437 1595 1 3 . 1 1 76 76 PRO CB C 76 32.135 32.135 31.173 0.962 25437 1596 1 3 . 1 1 77 77 TYR N N 77 126.211 126.211 126.120 0.091 25437 1597 1 3 . 1 1 77 77 TYR HA H 77 4.835 4.835 4.612 0.223 25437 1598 1 3 . 1 1 77 77 TYR CA C 77 56.830 56.830 58.989 -2.159 25437 1599 1 3 . 1 1 77 77 TYR CB C 77 40.384 40.384 40.423 -0.039 25437 1600 1 3 . 1 1 77 77 TYR H H 77 8.357 8.357 8.415 -0.058 25437 1601 1 3 . 1 1 78 78 ILE N N 78 124.613 124.613 123.509 1.104 25437 1602 1 3 . 1 1 78 78 ILE HA H 78 4.210 4.210 4.366 -0.156 25437 1603 1 3 . 1 1 78 78 ILE CA C 78 59.941 59.941 60.367 -0.426 25437 1604 1 3 . 1 1 78 78 ILE CB C 78 40.652 40.652 42.155 -1.503 25437 1605 1 3 . 1 1 78 78 ILE H H 78 8.334 8.334 9.004 -0.670 25437 1606 1 3 . 1 1 79 79 ASN N N 79 126.361 126.361 124.660 1.701 25437 1607 1 3 . 1 1 79 79 ASN HA H 79 4.339 4.339 4.401 -0.062 25437 1608 1 3 . 1 1 79 79 ASN CA C 79 53.937 53.937 53.797 0.140 25437 1609 1 3 . 1 1 79 79 ASN CB C 79 36.887 36.887 37.735 -0.848 25437 1610 1 3 . 1 1 79 79 ASN H H 79 9.444 9.444 9.239 0.205 25437 1611 1 3 . 1 1 80 80 GLY N N 80 102.068 102.068 102.849 -0.781 25437 1612 1 3 . 1 1 80 80 GLY CA C 80 45.663 45.663 45.772 -0.109 25437 1613 1 3 . 1 1 80 80 GLY H H 80 8.240 8.240 8.843 -0.603 25437 1614 1 3 . 1 1 81 81 LYS N N 81 117.260 117.260 117.202 0.058 25437 1615 1 3 . 1 1 81 81 LYS HA H 81 4.534 4.534 4.267 0.267 25437 1616 1 3 . 1 1 81 81 LYS CA C 81 54.226 54.226 54.441 -0.215 25437 1617 1 3 . 1 1 81 81 LYS CB C 81 35.655 35.655 36.247 -0.592 25437 1618 1 3 . 1 1 81 81 LYS H H 81 7.046 7.046 7.450 -0.404 25437 1619 1 3 . 1 1 82 82 ILE N N 82 122.347 122.347 120.672 1.675 25437 1620 1 3 . 1 1 82 82 ILE HA H 82 4.091 4.091 3.404 0.687 25437 1621 1 3 . 1 1 82 82 ILE CA C 82 62.621 62.621 62.145 0.476 25437 1622 1 3 . 1 1 82 82 ILE CB C 82 37.833 37.833 37.925 -0.092 25437 1623 1 3 . 1 1 82 82 ILE H H 82 8.418 8.418 8.192 0.226 25437 1624 1 3 . 1 1 83 83 ASP N N 83 128.498 128.498 127.431 1.067 25437 1625 1 3 . 1 1 83 83 ASP HA H 83 4.808 4.808 4.717 0.091 25437 1626 1 3 . 1 1 83 83 ASP CA C 83 51.619 51.619 53.259 -1.640 25437 1627 1 3 . 1 1 83 83 ASP CB C 83 41.079 41.079 40.187 0.892 25437 1628 1 3 . 1 1 83 83 ASP H H 83 8.028 8.028 8.122 -0.094 25437 1629 1 3 . 1 1 84 84 TRP N N 84 121.807 121.807 122.837 -1.030 25437 1630 1 3 . 1 1 84 84 TRP HA H 84 4.574 4.574 4.465 0.109 25437 1631 1 3 . 1 1 84 84 TRP CA C 84 58.456 58.456 58.607 -0.151 25437 1632 1 3 . 1 1 84 84 TRP CB C 84 30.177 30.177 30.625 -0.449 25437 1633 1 3 . 1 1 84 84 TRP H H 84 8.081 8.081 7.975 0.106 25437 1634 1 3 . 1 1 85 85 ASN N N 85 113.227 113.227 114.266 -1.039 25437 1635 1 3 . 1 1 85 85 ASN HA H 85 4.975 4.975 4.817 0.158 25437 1636 1 3 . 1 1 85 85 ASN CA C 85 53.430 53.430 53.560 -0.130 25437 1637 1 3 . 1 1 85 85 ASN CB C 85 40.162 40.162 39.478 0.684 25437 1638 1 3 . 1 1 85 85 ASN H H 85 8.386 8.386 8.298 0.088 25437 1639 1 3 . 1 1 86 86 ASP N N 86 118.821 118.821 120.030 -1.209 25437 1640 1 3 . 1 1 86 86 ASP HA H 86 4.813 4.813 4.880 -0.067 25437 1641 1 3 . 1 1 86 86 ASP CA C 86 52.255 52.255 53.066 -0.811 25437 1642 1 3 . 1 1 86 86 ASP CB C 86 37.613 37.613 40.533 -2.920 25437 1643 1 3 . 1 1 86 86 ASP H H 86 7.405 7.405 7.884 -0.479 25437 1644 1 3 . 1 1 87 87 LEU N N 87 127.177 127.177 120.512 6.665 25437 1645 1 3 . 1 1 87 87 LEU HA H 87 4.055 4.055 4.401 -0.346 25437 1646 1 3 . 1 1 87 87 LEU CA C 87 58.321 58.321 57.303 1.018 25437 1647 1 3 . 1 1 87 87 LEU CB C 87 40.887 40.887 42.207 -1.320 25437 1648 1 3 . 1 1 87 87 LEU H H 87 8.274 8.274 7.967 0.307 25437 1649 1 3 . 1 1 88 88 GLU N N 88 114.132 114.132 121.293 -7.161 25437 1650 1 3 . 1 1 88 88 GLU HA H 88 3.938 3.938 3.804 0.134 25437 1651 1 3 . 1 1 88 88 GLU CA C 88 59.437 59.437 59.287 0.150 25437 1652 1 3 . 1 1 88 88 GLU CB C 88 27.987 27.987 28.753 -0.766 25437 1653 1 3 . 1 1 88 88 GLU H H 88 8.257 8.257 8.280 -0.023 25437 1654 1 3 . 1 1 89 89 ALA N N 89 122.075 122.075 119.781 2.294 25437 1655 1 3 . 1 1 89 89 ALA HA H 89 3.799 3.799 4.291 -0.492 25437 1656 1 3 . 1 1 89 89 ALA CA C 89 54.703 54.703 54.349 0.354 25437 1657 1 3 . 1 1 89 89 ALA CB C 89 17.635 17.635 17.794 -0.159 25437 1658 1 3 . 1 1 89 89 ALA H H 89 7.418 7.418 7.925 -0.507 25437 1659 1 3 . 1 1 90 90 PHE N N 90 116.551 116.551 120.056 -3.505 25437 1660 1 3 . 1 1 90 90 PHE HA H 90 4.025 4.025 4.409 -0.384 25437 1661 1 3 . 1 1 90 90 PHE CA C 90 64.150 64.150 59.709 4.441 25437 1662 1 3 . 1 1 90 90 PHE CB C 90 38.965 38.965 39.020 -0.056 25437 1663 1 3 . 1 1 90 90 PHE H H 90 7.777 7.777 7.563 0.214 25437 1664 1 3 . 1 1 91 91 TRP N N 91 119.390 119.390 119.874 -0.484 25437 1665 1 3 . 1 1 91 91 TRP HA H 91 4.578 4.578 4.065 0.513 25437 1666 1 3 . 1 1 91 91 TRP CA C 91 59.217 59.217 60.685 -1.468 25437 1667 1 3 . 1 1 91 91 TRP CB C 91 29.802 29.802 28.579 1.223 25437 1668 1 3 . 1 1 91 91 TRP H H 91 7.821 7.821 8.143 -0.322 25437 1669 1 3 . 1 1 92 92 ALA N N 92 121.275 121.275 121.664 -0.389 25437 1670 1 3 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.179 -0.055 25437 1671 1 3 . 1 1 92 92 ALA CA C 92 55.229 55.229 55.044 0.185 25437 1672 1 3 . 1 1 92 92 ALA CB C 92 18.870 18.870 18.270 0.600 25437 1673 1 3 . 1 1 92 92 ALA H H 92 8.242 8.242 7.547 0.695 25437 1674 1 3 . 1 1 93 93 VAL N N 93 120.454 120.454 118.593 1.861 25437 1675 1 3 . 1 1 93 93 VAL HA H 93 3.600 3.600 3.753 -0.153 25437 1676 1 3 . 1 1 93 93 VAL CA C 93 66.424 66.424 64.865 1.559 25437 1677 1 3 . 1 1 93 93 VAL CB C 93 30.676 30.676 31.915 -1.239 25437 1678 1 3 . 1 1 93 93 VAL H H 93 8.259 8.259 7.774 0.485 25437 1679 1 3 . 1 1 94 94 LYS N N 94 122.098 122.098 118.926 3.172 25437 1680 1 3 . 1 1 94 94 LYS HA H 94 3.690 3.690 3.677 0.013 25437 1681 1 3 . 1 1 94 94 LYS CA C 94 60.959 60.959 59.578 1.381 25437 1682 1 3 . 1 1 94 94 LYS CB C 94 31.484 31.484 31.548 -0.064 25437 1683 1 3 . 1 1 94 94 LYS H H 94 8.382 8.382 7.557 0.825 25437 1684 1 3 . 1 1 95 95 LYS N N 95 118.030 118.030 118.710 -0.680 25437 1685 1 3 . 1 1 95 95 LYS HA H 95 3.958 3.958 4.307 -0.349 25437 1686 1 3 . 1 1 95 95 LYS CA C 95 59.212 59.212 59.001 0.211 25437 1687 1 3 . 1 1 95 95 LYS CB C 95 31.219 31.219 32.388 -1.169 25437 1688 1 3 . 1 1 95 95 LYS H H 95 7.957 7.957 7.493 0.464 25437 1689 1 3 . 1 1 96 96 ALA N N 96 124.359 124.359 121.626 2.733 25437 1690 1 3 . 1 1 96 96 ALA HA H 96 4.229 4.229 4.098 0.131 25437 1691 1 3 . 1 1 96 96 ALA CA C 96 55.422 55.422 55.118 0.304 25437 1692 1 3 . 1 1 96 96 ALA CB C 96 17.148 17.148 18.016 -0.868 25437 1693 1 3 . 1 1 96 96 ALA H H 96 7.668 7.668 7.592 0.076 25437 1694 1 3 . 1 1 97 97 PHE N N 97 117.446 117.446 119.143 -1.697 25437 1695 1 3 . 1 1 97 97 PHE HA H 97 3.883 3.883 4.171 -0.288 25437 1696 1 3 . 1 1 97 97 PHE CA C 97 63.187 63.187 61.959 1.228 25437 1697 1 3 . 1 1 97 97 PHE CB C 97 40.401 40.401 39.382 1.019 25437 1698 1 3 . 1 1 97 97 PHE H H 97 8.369 8.369 7.682 0.687 25437 1699 1 3 . 1 1 98 98 GLU N N 98 119.148 119.148 117.855 1.293 25437 1700 1 3 . 1 1 98 98 GLU HA H 98 4.140 4.140 3.957 0.183 25437 1701 1 3 . 1 1 98 98 GLU CA C 98 59.610 59.610 58.821 0.789 25437 1702 1 3 . 1 1 98 98 GLU CB C 98 29.444 29.444 29.067 0.377 25437 1703 1 3 . 1 1 98 98 GLU H H 98 8.821 8.821 8.008 0.813 25437 1704 1 3 . 1 1 99 99 GLN N N 99 120.727 120.727 118.202 2.525 25437 1705 1 3 . 1 1 99 99 GLN HA H 99 4.061 4.061 4.192 -0.131 25437 1706 1 3 . 1 1 99 99 GLN CA C 99 59.130 59.130 58.031 1.099 25437 1707 1 3 . 1 1 99 99 GLN CB C 99 27.524 27.524 28.897 -1.373 25437 1708 1 3 . 1 1 99 99 GLN H H 99 8.436 8.436 8.038 0.398 25437 1709 1 3 . 1 1 100 100 ALA N N 100 122.603 122.603 122.989 -0.386 25437 1710 1 3 . 1 1 100 100 ALA HA H 100 3.886 3.886 4.067 -0.181 25437 1711 1 3 . 1 1 100 100 ALA CA C 100 55.399 55.399 54.819 0.580 25437 1712 1 3 . 1 1 100 100 ALA CB C 100 19.472 19.472 18.379 1.093 25437 1713 1 3 . 1 1 100 100 ALA H H 100 8.433 8.433 8.417 0.016 25437 1714 1 3 . 1 1 101 101 GLY N N 101 104.253 104.253 104.690 -0.437 25437 1715 1 3 . 1 1 101 101 GLY CA C 101 47.843 47.843 46.278 1.565 25437 1716 1 3 . 1 1 101 101 GLY H H 101 9.035 9.035 7.955 1.080 25437 1717 1 3 . 1 1 102 102 LYS N N 102 121.912 121.912 121.667 0.245 25437 1718 1 3 . 1 1 102 102 LYS HA H 102 4.116 4.116 3.952 0.164 25437 1719 1 3 . 1 1 102 102 LYS CA C 102 59.314 59.314 59.589 -0.275 25437 1720 1 3 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.297 -0.118 25437 1721 1 3 . 1 1 102 102 LYS H H 102 7.928 7.928 7.912 0.016 25437 1722 1 3 . 1 1 103 103 GLU N N 103 119.382 119.382 118.407 0.975 25437 1723 1 3 . 1 1 103 103 GLU HA H 103 3.989 3.989 4.146 -0.157 25437 1724 1 3 . 1 1 103 103 GLU CA C 103 59.093 59.093 58.062 1.031 25437 1725 1 3 . 1 1 103 103 GLU CB C 103 30.127 30.127 29.425 0.702 25437 1726 1 3 . 1 1 103 103 GLU H H 103 8.406 8.406 7.646 0.760 25437 1727 1 3 . 1 1 104 104 LEU N N 104 115.551 115.551 118.817 -3.266 25437 1728 1 3 . 1 1 104 104 LEU HA H 104 4.360 4.360 4.055 0.305 25437 1729 1 3 . 1 1 104 104 LEU CA C 104 55.185 55.185 55.872 -0.687 25437 1730 1 3 . 1 1 104 104 LEU CB C 104 43.105 43.105 42.174 0.931 25437 1731 1 3 . 1 1 104 104 LEU H H 104 7.999 7.999 7.975 0.024 25437 1732 1 3 . 1 1 105 105 GLY N N 105 110.561 110.561 104.497 6.064 25437 1733 1 3 . 1 1 105 105 GLY CA C 105 46.480 46.480 45.224 1.256 25437 1734 1 3 . 1 1 105 105 GLY H H 105 7.898 7.898 7.545 0.353 25437 1735 1 3 . 1 1 106 106 ILE N N 106 121.745 121.745 122.472 -0.727 25437 1736 1 3 . 1 1 106 106 ILE HA H 106 4.227 4.227 3.993 0.234 25437 1737 1 3 . 1 1 106 106 ILE CA C 106 59.717 59.717 61.251 -1.534 25437 1738 1 3 . 1 1 106 106 ILE CB C 106 41.096 41.096 38.657 2.439 25437 1739 1 3 . 1 1 106 106 ILE H H 106 8.428 8.428 7.698 0.730 25437 1740 1 3 . 1 1 107 107 LYS N N 107 127.736 127.736 127.501 0.235 25437 1741 1 3 . 1 1 107 107 LYS HA H 107 4.275 4.275 4.185 0.090 25437 1742 1 3 . 1 1 107 107 LYS CA C 107 57.224 57.224 56.743 0.480 25437 1743 1 3 . 1 1 107 107 LYS CB C 107 32.752 32.752 32.653 0.099 25437 1744 1 3 . 1 1 107 107 LYS H H 107 8.489 8.489 8.652 -0.163 25437 1745 1 3 . 1 1 108 108 LEU N N 108 122.881 122.881 124.331 -1.450 25437 1746 1 3 . 1 1 108 108 LEU HA H 108 5.235 5.235 4.854 0.381 25437 1747 1 3 . 1 1 108 108 LEU CA C 108 53.287 53.287 54.420 -1.133 25437 1748 1 3 . 1 1 108 108 LEU CB C 108 47.016 47.016 44.629 2.387 25437 1749 1 3 . 1 1 108 108 LEU H H 108 8.049 8.049 8.384 -0.335 25437 1750 1 3 . 1 1 109 109 ARG N N 109 120.726 120.726 123.699 -2.973 25437 1751 1 3 . 1 1 109 109 ARG HA H 109 4.438 4.438 4.033 0.405 25437 1752 1 3 . 1 1 109 109 ARG CA C 109 55.193 55.193 55.317 -0.124 25437 1753 1 3 . 1 1 109 109 ARG CB C 109 33.519 33.519 34.505 -0.986 25437 1754 1 3 . 1 1 109 109 ARG H H 109 8.736 8.736 7.751 0.985 25437 1755 1 3 . 1 1 110 110 PHE N N 110 121.516 121.516 121.874 -0.358 25437 1756 1 3 . 1 1 110 110 PHE HA H 110 5.303 5.303 4.958 0.345 25437 1757 1 3 . 1 1 110 110 PHE CA C 110 56.644 56.644 56.030 0.614 25437 1758 1 3 . 1 1 110 110 PHE CB C 110 40.602 40.602 38.495 2.107 25437 1759 1 3 . 1 1 110 110 PHE H H 110 8.707 8.707 8.329 0.378 25437 1760 1 3 . 1 1 111 111 GLY N N 111 108.992 108.992 112.223 -3.231 25437 1761 1 3 . 1 1 111 111 GLY CA C 111 45.604 45.604 45.079 0.525 25437 1762 1 3 . 1 1 111 111 GLY H H 111 7.819 7.819 8.302 -0.483 25437 1763 1 3 . 1 1 112 112 ALA N N 112 111.448 111.448 125.502 -14.054 25437 1764 1 3 . 1 1 112 112 ALA HA H 112 3.858 3.858 4.274 -0.416 25437 1765 1 3 . 1 1 112 112 ALA CA C 112 52.083 52.083 53.606 -1.523 25437 1766 1 3 . 1 1 112 112 ALA CB C 112 18.655 18.655 19.468 -0.813 25437 1767 1 3 . 1 1 112 112 ALA H H 112 7.945 7.945 8.677 -0.732 25437 1768 1 3 . 1 1 113 113 ASP N N 113 106.770 106.770 118.962 -12.192 25437 1769 1 3 . 1 1 113 113 ASP HA H 113 5.157 5.157 4.709 0.448 25437 1770 1 3 . 1 1 113 113 ASP CA C 113 52.285 52.285 54.102 -1.817 25437 1771 1 3 . 1 1 113 113 ASP CB C 113 41.465 41.465 40.558 0.907 25437 1772 1 3 . 1 1 113 113 ASP H H 113 7.000 7.000 8.194 -1.194 25437 1773 1 3 . 1 1 114 114 TRP N N 114 119.829 119.829 119.350 0.479 25437 1774 1 3 . 1 1 114 114 TRP HA H 114 4.184 4.184 4.384 -0.200 25437 1775 1 3 . 1 1 114 114 TRP CA C 114 61.455 61.455 61.234 0.221 25437 1776 1 3 . 1 1 114 114 TRP CB C 114 26.427 26.427 29.356 -2.929 25437 1777 1 3 . 1 1 114 114 TRP H H 114 7.589 7.589 8.158 -0.569 25437 1778 1 3 . 1 1 115 115 ASN N N 115 117.900 117.900 115.184 2.716 25437 1779 1 3 . 1 1 115 115 ASN HA H 115 4.548 4.548 4.746 -0.198 25437 1780 1 3 . 1 1 115 115 ASN CA C 115 55.955 55.955 55.275 0.680 25437 1781 1 3 . 1 1 115 115 ASN CB C 115 36.818 36.818 38.385 -1.567 25437 1782 1 3 . 1 1 115 115 ASN H H 115 9.503 9.503 8.492 1.011 25437 1783 1 3 . 1 1 116 116 ALA N N 116 123.758 123.758 122.506 1.252 25437 1784 1 3 . 1 1 116 116 ALA HA H 116 4.181 4.181 4.186 -0.005 25437 1785 1 3 . 1 1 116 116 ALA CA C 116 53.111 53.111 54.370 -1.258 25437 1786 1 3 . 1 1 116 116 ALA CB C 116 16.596 16.596 18.263 -1.667 25437 1787 1 3 . 1 1 116 116 ALA H H 116 8.079 8.079 7.989 0.090 25437 1788 1 3 . 1 1 117 117 SER N N 117 116.009 116.009 112.871 3.138 25437 1789 1 3 . 1 1 117 117 SER HA H 117 4.417 4.417 4.094 0.323 25437 1790 1 3 . 1 1 117 117 SER CA C 117 59.433 59.433 60.316 -0.884 25437 1791 1 3 . 1 1 117 117 SER CB C 117 65.026 65.026 63.270 1.756 25437 1792 1 3 . 1 1 117 117 SER H H 117 9.460 9.460 7.899 1.561 25437 1793 1 3 . 1 1 118 118 GLY N N 118 115.031 115.031 110.134 4.897 25437 1794 1 3 . 1 1 118 118 GLY CA C 118 45.197 45.197 45.525 -0.328 25437 1795 1 3 . 1 1 118 118 GLY H H 118 10.733 10.733 7.803 2.930 25437 1796 1 3 . 1 1 119 119 ASP N N 119 116.435 116.435 121.310 -4.875 25437 1797 1 3 . 1 1 119 119 ASP HA H 119 4.590 4.590 4.663 -0.073 25437 1798 1 3 . 1 1 119 119 ASP CA C 119 53.181 53.181 52.948 0.233 25437 1799 1 3 . 1 1 119 119 ASP CB C 119 43.864 43.864 42.296 1.568 25437 1800 1 3 . 1 1 119 119 ASP H H 119 7.770 7.770 7.911 -0.141 25437 1801 1 3 . 1 1 120 120 TYR N N 120 120.253 120.253 119.479 0.774 25437 1802 1 3 . 1 1 120 120 TYR HA H 120 6.088 6.088 4.856 1.232 25437 1803 1 3 . 1 1 120 120 TYR CA C 120 56.003 56.003 57.140 -1.137 25437 1804 1 3 . 1 1 120 120 TYR CB C 120 40.371 40.371 39.160 1.211 25437 1805 1 3 . 1 1 120 120 TYR H H 120 6.801 6.801 8.633 -1.832 25437 1806 1 3 . 1 1 121 121 HIS HA H 121 4.537 4.537 4.709 -0.172 25437 1807 1 3 . 1 1 121 121 HIS CA C 121 59.002 59.002 56.990 2.012 25437 1808 1 3 . 1 1 121 121 HIS CB C 121 27.950 27.950 30.356 -2.406 25437 1809 1 3 . 1 1 122 122 ASP N N 122 111.622 111.622 118.780 -7.158 25437 1810 1 3 . 1 1 122 122 ASP HA H 122 4.815 4.815 4.658 0.157 25437 1811 1 3 . 1 1 122 122 ASP CA C 122 51.612 51.612 54.355 -2.743 25437 1812 1 3 . 1 1 122 122 ASP CB C 122 36.980 36.980 41.286 -4.306 25437 1813 1 3 . 1 1 122 122 ASP H H 122 8.154 8.154 8.459 -0.305 25437 1814 1 3 . 1 1 124 124 ILE N N 124 119.763 119.763 114.957 4.806 25437 1815 1 3 . 1 1 124 124 ILE HA H 124 3.843 3.843 3.828 0.015 25437 1816 1 3 . 1 1 124 124 ILE CA C 124 64.714 64.714 63.303 1.411 25437 1817 1 3 . 1 1 124 124 ILE CB C 124 36.859 36.859 37.092 -0.233 25437 1818 1 3 . 1 1 124 124 ILE H H 124 7.639 7.639 8.413 -0.774 25437 1819 1 3 . 1 1 125 125 LYS N N 125 121.010 121.010 119.757 1.253 25437 1820 1 3 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.071 0.038 25437 1821 1 3 . 1 1 125 125 LYS CA C 125 59.241 59.241 59.017 0.224 25437 1822 1 3 . 1 1 125 125 LYS CB C 125 31.985 31.985 31.745 0.239 25437 1823 1 3 . 1 1 125 125 LYS H H 125 7.739 7.739 8.150 -0.411 25437 1824 1 3 . 1 1 126 126 ARG N N 126 115.276 115.276 116.085 -0.809 25437 1825 1 3 . 1 1 126 126 ARG HA H 126 4.338 4.338 4.188 0.150 25437 1826 1 3 . 1 1 126 126 ARG CA C 126 57.189 57.189 56.599 0.590 25437 1827 1 3 . 1 1 126 126 ARG CB C 126 31.015 31.015 30.733 0.282 25437 1828 1 3 . 1 1 126 126 ARG H H 126 7.904 7.904 7.891 0.013 25437 1829 1 3 . 1 1 127 127 GLY N N 127 107.767 107.767 107.008 0.759 25437 1830 1 3 . 1 1 127 127 GLY CA C 127 45.822 45.822 44.673 1.149 25437 1831 1 3 . 1 1 127 127 GLY H H 127 7.912 7.912 8.126 -0.214 25437 1832 1 3 . 1 1 128 128 THR N N 128 107.570 107.570 112.430 -4.860 25437 1833 1 3 . 1 1 128 128 THR HA H 128 4.252 4.252 4.384 -0.132 25437 1834 1 3 . 1 1 128 128 THR CA C 128 60.620 60.620 60.264 0.356 25437 1835 1 3 . 1 1 128 128 THR CB C 128 69.224 69.224 70.085 -0.861 25437 1836 1 3 . 1 1 128 128 THR H H 128 8.121 8.121 7.437 0.684 25437 1837 1 3 . 1 1 129 129 TYR N N 129 123.143 123.143 119.255 3.888 25437 1838 1 3 . 1 1 129 129 TYR HA H 129 4.173 4.173 4.660 -0.487 25437 1839 1 3 . 1 1 129 129 TYR CA C 129 61.448 61.448 56.501 4.947 25437 1840 1 3 . 1 1 129 129 TYR CB C 129 38.796 38.796 38.411 0.385 25437 1841 1 3 . 1 1 129 129 TYR H H 129 7.209 7.209 8.493 -1.284 25437 1842 1 3 . 1 1 130 130 ASP N N 130 117.930 117.930 123.366 -5.436 25437 1843 1 3 . 1 1 130 130 ASP HA H 130 4.641 4.641 4.158 0.483 25437 1844 1 3 . 1 1 130 130 ASP CA C 130 53.440 53.440 56.424 -2.984 25437 1845 1 3 . 1 1 130 130 ASP CB C 130 43.221 43.221 40.667 2.554 25437 1846 1 3 . 1 1 130 130 ASP H H 130 8.216 8.216 7.452 0.764 25437 1847 1 3 . 1 1 132 132 GLY N N 132 107.481 107.481 108.833 -1.352 25437 1848 1 3 . 1 1 132 132 GLY CA C 132 44.013 44.013 43.814 0.199 25437 1849 1 3 . 1 1 132 132 GLY H H 132 8.304 8.304 7.674 0.630 25437 1850 1 3 . 1 1 133 133 HIS N N 133 117.609 117.609 121.753 -4.144 25437 1851 1 3 . 1 1 133 133 HIS HA H 133 5.430 5.430 4.455 0.975 25437 1852 1 3 . 1 1 133 133 HIS CA C 133 57.155 57.155 57.155 0.000 25437 1853 1 3 . 1 1 133 133 HIS CB C 133 31.667 31.667 29.812 1.855 25437 1854 1 3 . 1 1 133 133 HIS H H 133 6.942 6.942 7.552 -0.610 25437 1855 1 3 . 1 1 134 134 VAL N N 134 133.201 133.201 121.497 11.704 25437 1856 1 3 . 1 1 134 134 VAL HA H 134 4.254 4.254 4.678 -0.424 25437 1857 1 3 . 1 1 134 134 VAL CA C 134 61.676 61.676 60.056 1.620 25437 1858 1 3 . 1 1 134 134 VAL CB C 134 34.775 34.775 33.288 1.487 25437 1859 1 3 . 1 1 134 134 VAL H H 134 9.127 9.127 8.011 1.116 25437 1860 1 3 . 1 1 135 135 GLU N N 135 119.904 119.904 124.397 -4.493 25437 1861 1 3 . 1 1 135 135 GLU HA H 135 5.458 5.458 4.904 0.554 25437 1862 1 3 . 1 1 135 135 GLU CA C 135 52.126 52.126 53.390 -1.264 25437 1863 1 3 . 1 1 135 135 GLU CB C 135 34.550 34.550 33.505 1.044 25437 1864 1 3 . 1 1 135 135 GLU H H 135 8.501 8.501 7.894 0.607 25437 1865 1 3 . 1 1 136 136 LEU N N 136 119.357 119.357 122.402 -3.045 25437 1866 1 3 . 1 1 136 136 LEU HA H 136 4.432 4.432 4.429 0.003 25437 1867 1 3 . 1 1 136 136 LEU CA C 136 54.772 54.772 54.620 0.152 25437 1868 1 3 . 1 1 136 136 LEU CB C 136 42.524 42.524 42.615 -0.092 25437 1869 1 3 . 1 1 136 136 LEU H H 136 8.280 8.280 8.356 -0.076 25437 1870 1 4 . 1 1 3 3 PHE N N 3 121.785 121.785 128.896 -7.111 25437 1871 1 4 . 1 1 3 3 PHE HA H 3 4.792 4.792 4.039 0.753 25437 1872 1 4 . 1 1 3 3 PHE CA C 3 56.407 56.407 59.181 -2.774 25437 1873 1 4 . 1 1 3 3 PHE CB C 3 40.111 40.111 39.494 0.617 25437 1874 1 4 . 1 1 3 3 PHE H H 3 8.534 8.534 8.456 0.078 25437 1875 1 4 . 1 1 4 4 LYS N N 4 119.409 119.409 124.346 -4.937 25437 1876 1 4 . 1 1 4 4 LYS HA H 4 4.452 4.452 4.018 0.434 25437 1877 1 4 . 1 1 4 4 LYS CA C 4 54.774 54.774 53.804 0.970 25437 1878 1 4 . 1 1 4 4 LYS CB C 4 35.710 35.710 34.727 0.983 25437 1879 1 4 . 1 1 4 4 LYS H H 4 8.367 8.367 7.230 1.137 25437 1880 1 4 . 1 1 5 5 PHE N N 5 124.495 124.495 120.999 3.496 25437 1881 1 4 . 1 1 5 5 PHE HA H 5 4.873 4.873 4.444 0.429 25437 1882 1 4 . 1 1 5 5 PHE CA C 5 58.636 58.636 57.671 0.965 25437 1883 1 4 . 1 1 5 5 PHE CB C 5 39.217 39.217 38.111 1.106 25437 1884 1 4 . 1 1 5 5 PHE H H 5 8.603 8.603 7.788 0.815 25437 1885 1 4 . 1 1 6 6 GLY N N 6 108.622 108.622 111.867 -3.245 25437 1886 1 4 . 1 1 6 6 GLY CA C 6 43.819 43.819 44.477 -0.658 25437 1887 1 4 . 1 1 6 6 GLY H H 6 8.559 8.559 8.065 0.494 25437 1888 1 4 . 1 1 7 7 LYS N N 7 119.341 119.341 121.710 -2.369 25437 1889 1 4 . 1 1 7 7 LYS HA H 7 3.958 3.958 4.197 -0.239 25437 1890 1 4 . 1 1 7 7 LYS CA C 7 60.087 60.087 59.449 0.638 25437 1891 1 4 . 1 1 7 7 LYS CB C 7 32.399 32.399 32.218 0.181 25437 1892 1 4 . 1 1 7 7 LYS H H 7 8.692 8.692 8.611 0.081 25437 1893 1 4 . 1 1 8 8 ASN N N 8 118.555 118.555 116.397 2.158 25437 1894 1 4 . 1 1 8 8 ASN HA H 8 4.551 4.551 4.636 -0.085 25437 1895 1 4 . 1 1 8 8 ASN CA C 8 56.776 56.776 55.905 0.871 25437 1896 1 4 . 1 1 8 8 ASN CB C 8 36.961 36.961 38.027 -1.066 25437 1897 1 4 . 1 1 8 8 ASN H H 8 9.185 9.185 8.639 0.546 25437 1898 1 4 . 1 1 9 9 SER N N 9 118.632 118.632 118.091 0.541 25437 1899 1 4 . 1 1 9 9 SER HA H 9 4.283 4.283 4.421 -0.138 25437 1900 1 4 . 1 1 9 9 SER CA C 9 62.790 62.790 62.143 0.647 25437 1901 1 4 . 1 1 9 9 SER CB C 9 62.790 62.790 63.038 -0.248 25437 1902 1 4 . 1 1 9 9 SER H H 9 8.076 8.076 8.239 -0.163 25437 1903 1 4 . 1 1 10 10 GLU N N 10 120.882 120.882 119.912 0.970 25437 1904 1 4 . 1 1 10 10 GLU HA H 10 3.977 3.977 3.936 0.041 25437 1905 1 4 . 1 1 10 10 GLU CA C 10 59.409 59.409 59.361 0.048 25437 1906 1 4 . 1 1 10 10 GLU CB C 10 28.556 28.556 28.870 -0.314 25437 1907 1 4 . 1 1 10 10 GLU H H 10 8.351 8.351 8.894 -0.543 25437 1908 1 4 . 1 1 11 11 LYS N N 11 120.030 120.030 120.044 -0.014 25437 1909 1 4 . 1 1 11 11 LYS HA H 11 4.056 4.056 4.116 -0.060 25437 1910 1 4 . 1 1 11 11 LYS CA C 11 59.477 59.477 58.505 0.972 25437 1911 1 4 . 1 1 11 11 LYS CB C 11 32.032 32.032 32.311 -0.279 25437 1912 1 4 . 1 1 11 11 LYS H H 11 7.937 7.937 7.512 0.425 25437 1913 1 4 . 1 1 12 12 GLN N N 12 114.749 114.749 119.012 -4.263 25437 1914 1 4 . 1 1 12 12 GLN HA H 12 4.147 4.147 4.109 0.038 25437 1915 1 4 . 1 1 12 12 GLN CA C 12 57.373 57.373 58.809 -1.436 25437 1916 1 4 . 1 1 12 12 GLN CB C 12 28.511 28.511 28.788 -0.278 25437 1917 1 4 . 1 1 12 12 GLN H H 12 7.562 7.562 7.988 -0.426 25437 1918 1 4 . 1 1 13 13 LEU N N 13 121.751 121.751 118.885 2.866 25437 1919 1 4 . 1 1 13 13 LEU HA H 13 3.880 3.880 4.243 -0.363 25437 1920 1 4 . 1 1 13 13 LEU CA C 13 57.080 57.080 56.341 0.739 25437 1921 1 4 . 1 1 13 13 LEU CB C 13 42.413 42.413 40.454 1.959 25437 1922 1 4 . 1 1 13 13 LEU H H 13 8.725 8.725 8.226 0.499 25437 1923 1 4 . 1 1 14 14 ALA N N 14 116.323 116.323 119.580 -3.257 25437 1924 1 4 . 1 1 14 14 ALA HA H 14 4.070 4.070 4.306 -0.236 25437 1925 1 4 . 1 1 14 14 ALA CA C 14 53.706 53.706 53.829 -0.123 25437 1926 1 4 . 1 1 14 14 ALA CB C 14 18.020 18.020 18.947 -0.927 25437 1927 1 4 . 1 1 14 14 ALA H H 14 7.574 7.574 7.560 0.014 25437 1928 1 4 . 1 1 15 15 THR N N 15 104.034 104.034 109.602 -5.568 25437 1929 1 4 . 1 1 15 15 THR HA H 15 4.431 4.431 4.442 -0.011 25437 1930 1 4 . 1 1 15 15 THR CA C 15 62.381 62.381 61.191 1.190 25437 1931 1 4 . 1 1 15 15 THR CB C 15 70.327 70.327 69.624 0.703 25437 1932 1 4 . 1 1 15 15 THR H H 15 7.326 7.326 7.313 0.013 25437 1933 1 4 . 1 1 16 16 VAL N N 16 112.438 112.438 121.597 -9.159 25437 1934 1 4 . 1 1 16 16 VAL HA H 16 4.922 4.922 3.959 0.963 25437 1935 1 4 . 1 1 16 16 VAL CA C 16 59.661 59.661 62.635 -2.974 25437 1936 1 4 . 1 1 16 16 VAL CB C 16 32.989 32.989 32.798 0.191 25437 1937 1 4 . 1 1 16 16 VAL H H 16 7.164 7.164 7.305 -0.141 25437 1938 1 4 . 1 1 17 17 LYS N N 17 120.729 120.729 128.307 -7.578 25437 1939 1 4 . 1 1 17 17 LYS HA H 17 4.230 4.230 4.370 -0.140 25437 1940 1 4 . 1 1 17 17 LYS CA C 17 55.486 55.486 57.596 -2.111 25437 1941 1 4 . 1 1 17 17 LYS CB C 17 32.079 32.079 30.518 1.561 25437 1942 1 4 . 1 1 17 17 LYS H H 17 8.907 8.907 8.762 0.145 25437 1943 1 4 . 1 1 18 18 PRO HA H 18 4.130 4.130 4.492 -0.362 25437 1944 1 4 . 1 1 18 18 PRO CA C 18 65.813 65.813 63.043 2.770 25437 1945 1 4 . 1 1 18 18 PRO CB C 18 31.864 31.864 31.936 -0.072 25437 1946 1 4 . 1 1 19 19 GLU N N 19 117.608 117.608 118.043 -0.435 25437 1947 1 4 . 1 1 19 19 GLU HA H 19 4.011 4.011 4.442 -0.431 25437 1948 1 4 . 1 1 19 19 GLU CA C 19 61.031 61.031 56.382 4.649 25437 1949 1 4 . 1 1 19 19 GLU CB C 19 29.117 29.117 29.040 0.077 25437 1950 1 4 . 1 1 19 19 GLU H H 19 9.714 9.714 8.706 1.008 25437 1951 1 4 . 1 1 20 20 LEU N N 20 117.938 117.938 118.747 -0.809 25437 1952 1 4 . 1 1 20 20 LEU HA H 20 4.258 4.258 4.037 0.221 25437 1953 1 4 . 1 1 20 20 LEU CA C 20 56.261 56.261 57.850 -1.589 25437 1954 1 4 . 1 1 20 20 LEU CB C 20 41.894 41.894 40.890 1.004 25437 1955 1 4 . 1 1 20 20 LEU H H 20 7.188 7.188 7.864 -0.676 25437 1956 1 4 . 1 1 21 21 GLN N N 21 118.367 118.367 117.999 0.368 25437 1957 1 4 . 1 1 21 21 GLN HA H 21 3.831 3.831 3.939 -0.108 25437 1958 1 4 . 1 1 21 21 GLN CA C 21 60.100 60.100 58.576 1.524 25437 1959 1 4 . 1 1 21 21 GLN CB C 21 27.745 27.745 27.637 0.108 25437 1960 1 4 . 1 1 21 21 GLN H H 21 7.805 7.805 8.584 -0.779 25437 1961 1 4 . 1 1 22 22 LYS N N 22 116.715 116.715 120.182 -3.467 25437 1962 1 4 . 1 1 22 22 LYS HA H 22 3.962 3.962 3.992 -0.030 25437 1963 1 4 . 1 1 22 22 LYS CA C 22 59.816 59.816 59.501 0.316 25437 1964 1 4 . 1 1 22 22 LYS CB C 22 32.520 32.520 32.048 0.472 25437 1965 1 4 . 1 1 22 22 LYS H H 22 8.143 8.143 7.787 0.356 25437 1966 1 4 . 1 1 23 23 VAL N N 23 118.397 118.397 119.600 -1.203 25437 1967 1 4 . 1 1 23 23 VAL HA H 23 3.591 3.591 3.508 0.083 25437 1968 1 4 . 1 1 23 23 VAL CA C 23 66.313 66.313 66.164 0.149 25437 1969 1 4 . 1 1 23 23 VAL CB C 23 31.529 31.529 31.507 0.022 25437 1970 1 4 . 1 1 23 23 VAL H H 23 7.715 7.715 7.566 0.149 25437 1971 1 4 . 1 1 24 24 ALA N N 24 121.929 121.929 122.002 -0.073 25437 1972 1 4 . 1 1 24 24 ALA HA H 24 4.024 4.024 3.570 0.454 25437 1973 1 4 . 1 1 24 24 ALA CA C 24 55.444 55.444 55.330 0.114 25437 1974 1 4 . 1 1 24 24 ALA CB C 24 18.086 18.086 18.228 -0.142 25437 1975 1 4 . 1 1 24 24 ALA H H 24 8.307 8.307 7.426 0.881 25437 1976 1 4 . 1 1 25 25 ARG N N 25 114.491 114.491 119.056 -4.565 25437 1977 1 4 . 1 1 25 25 ARG HA H 25 4.114 4.114 4.271 -0.157 25437 1978 1 4 . 1 1 25 25 ARG CA C 25 60.717 60.717 59.943 0.774 25437 1979 1 4 . 1 1 25 25 ARG CB C 25 29.257 29.257 30.485 -1.228 25437 1980 1 4 . 1 1 25 25 ARG H H 25 8.224 8.224 8.521 -0.297 25437 1981 1 4 . 1 1 26 26 ARG N N 26 119.944 119.944 118.467 1.477 25437 1982 1 4 . 1 1 26 26 ARG HA H 26 4.223 4.223 3.997 0.226 25437 1983 1 4 . 1 1 26 26 ARG CA C 26 57.097 57.097 59.112 -2.015 25437 1984 1 4 . 1 1 26 26 ARG CB C 26 28.888 28.888 30.034 -1.146 25437 1985 1 4 . 1 1 26 26 ARG H H 26 7.703 7.703 8.054 -0.351 25437 1986 1 4 . 1 1 27 27 ALA N N 27 122.041 122.041 122.197 -0.156 25437 1987 1 4 . 1 1 27 27 ALA HA H 27 3.611 3.611 3.963 -0.352 25437 1988 1 4 . 1 1 27 27 ALA CA C 27 55.249 55.249 54.817 0.432 25437 1989 1 4 . 1 1 27 27 ALA CB C 27 15.829 15.829 17.779 -1.950 25437 1990 1 4 . 1 1 27 27 ALA H H 27 8.754 8.754 8.309 0.445 25437 1991 1 4 . 1 1 28 28 LEU N N 28 117.421 117.421 119.247 -1.826 25437 1992 1 4 . 1 1 28 28 LEU HA H 28 4.053 4.053 4.198 -0.145 25437 1993 1 4 . 1 1 28 28 LEU CA C 28 57.757 57.757 58.057 -0.300 25437 1994 1 4 . 1 1 28 28 LEU CB C 28 40.351 40.351 41.431 -1.080 25437 1995 1 4 . 1 1 28 28 LEU H H 28 7.657 7.657 7.982 -0.325 25437 1996 1 4 . 1 1 29 29 GLU N N 29 114.911 114.911 117.163 -2.252 25437 1997 1 4 . 1 1 29 29 GLU HA H 29 4.023 4.023 4.150 -0.127 25437 1998 1 4 . 1 1 29 29 GLU CA C 29 58.489 58.489 58.132 0.357 25437 1999 1 4 . 1 1 29 29 GLU CB C 29 29.540 29.540 30.037 -0.496 25437 2000 1 4 . 1 1 29 29 GLU H H 29 7.039 7.039 7.507 -0.468 25437 2001 1 4 . 1 1 30 30 LEU N N 30 117.166 117.166 118.862 -1.696 25437 2002 1 4 . 1 1 30 30 LEU HA H 30 4.281 4.281 4.004 0.277 25437 2003 1 4 . 1 1 30 30 LEU CA C 30 55.266 55.266 56.626 -1.360 25437 2004 1 4 . 1 1 30 30 LEU CB C 30 44.403 44.403 42.347 2.056 25437 2005 1 4 . 1 1 30 30 LEU H H 30 7.353 7.353 8.023 -0.670 25437 2006 1 4 . 1 1 31 31 SER N N 31 116.260 116.260 114.436 1.824 25437 2007 1 4 . 1 1 31 31 SER HA H 31 4.557 4.557 4.254 0.303 25437 2008 1 4 . 1 1 31 31 SER CA C 31 55.723 55.723 57.256 -1.533 25437 2009 1 4 . 1 1 31 31 SER CB C 31 65.560 65.560 64.081 1.479 25437 2010 1 4 . 1 1 31 31 SER H H 31 7.742 7.742 7.915 -0.173 25437 2011 1 4 . 1 1 32 32 PRO HA H 32 4.609 4.609 4.212 0.397 25437 2012 1 4 . 1 1 32 32 PRO CA C 32 63.483 63.483 63.823 -0.340 25437 2013 1 4 . 1 1 32 32 PRO CB C 32 31.236 31.236 31.516 -0.280 25437 2014 1 4 . 1 1 33 33 TYR N N 33 114.714 114.714 118.328 -3.614 25437 2015 1 4 . 1 1 33 33 TYR HA H 33 4.710 4.710 4.777 -0.067 25437 2016 1 4 . 1 1 33 33 TYR CA C 33 56.742 56.742 54.749 1.993 25437 2017 1 4 . 1 1 33 33 TYR CB C 33 41.506 41.506 39.523 1.983 25437 2018 1 4 . 1 1 33 33 TYR H H 33 7.727 7.727 7.211 0.516 25437 2019 1 4 . 1 1 34 34 ASP N N 34 125.197 125.197 120.431 4.766 25437 2020 1 4 . 1 1 34 34 ASP HA H 34 3.524 3.524 4.538 -1.014 25437 2021 1 4 . 1 1 34 34 ASP CA C 34 52.353 52.353 54.375 -2.022 25437 2022 1 4 . 1 1 34 34 ASP CB C 34 37.720 37.720 41.458 -3.738 25437 2023 1 4 . 1 1 34 34 ASP H H 34 8.630 8.630 8.853 -0.223 25437 2024 1 4 . 1 1 35 35 PHE N N 35 115.803 115.803 113.493 2.310 25437 2025 1 4 . 1 1 35 35 PHE HA H 35 5.131 5.131 5.483 -0.352 25437 2026 1 4 . 1 1 35 35 PHE CA C 35 55.839 55.839 56.349 -0.510 25437 2027 1 4 . 1 1 35 35 PHE CB C 35 40.751 40.751 43.187 -2.436 25437 2028 1 4 . 1 1 35 35 PHE H H 35 7.250 7.250 7.973 -0.723 25437 2029 1 4 . 1 1 36 36 THR N N 36 113.338 113.338 117.136 -3.798 25437 2030 1 4 . 1 1 36 36 THR HA H 36 4.769 4.769 4.376 0.393 25437 2031 1 4 . 1 1 36 36 THR CA C 36 58.833 58.833 59.689 -0.856 25437 2032 1 4 . 1 1 36 36 THR CB C 36 71.387 71.387 69.876 1.511 25437 2033 1 4 . 1 1 36 36 THR H H 36 9.026 9.026 8.793 0.233 25437 2034 1 4 . 1 1 37 37 ILE N N 37 124.219 124.219 128.981 -4.762 25437 2035 1 4 . 1 1 37 37 ILE HA H 37 4.676 4.676 4.302 0.374 25437 2036 1 4 . 1 1 37 37 ILE CA C 37 58.395 58.395 62.051 -3.656 25437 2037 1 4 . 1 1 37 37 ILE CB C 37 34.649 34.649 38.025 -3.376 25437 2038 1 4 . 1 1 37 37 ILE H H 37 8.476 8.476 9.094 -0.618 25437 2039 1 4 . 1 1 38 38 VAL N N 38 124.271 124.271 127.986 -3.715 25437 2040 1 4 . 1 1 38 38 VAL HA H 38 3.981 3.981 4.259 -0.278 25437 2041 1 4 . 1 1 38 38 VAL CA C 38 63.144 63.144 63.724 -0.580 25437 2042 1 4 . 1 1 38 38 VAL CB C 38 32.658 32.658 32.949 -0.291 25437 2043 1 4 . 1 1 38 38 VAL H H 38 8.640 8.640 8.926 -0.286 25437 2044 1 4 . 1 1 39 39 GLN N N 39 115.210 115.210 115.995 -0.785 25437 2045 1 4 . 1 1 39 39 GLN HA H 39 4.378 4.378 4.736 -0.358 25437 2046 1 4 . 1 1 39 39 GLN CA C 39 56.197 56.197 55.249 0.947 25437 2047 1 4 . 1 1 39 39 GLN CB C 39 33.463 33.463 32.951 0.512 25437 2048 1 4 . 1 1 39 39 GLN H H 39 7.305 7.305 7.897 -0.592 25437 2049 1 4 . 1 1 40 40 GLY N N 40 116.022 116.022 109.011 7.011 25437 2050 1 4 . 1 1 40 40 GLY CA C 40 45.347 45.347 45.523 -0.176 25437 2051 1 4 . 1 1 40 40 GLY H H 40 8.851 8.851 8.795 0.056 25437 2052 1 4 . 1 1 41 41 ILE N N 41 132.358 132.358 120.528 11.830 25437 2053 1 4 . 1 1 41 41 ILE HA H 41 4.715 4.715 4.544 0.171 25437 2054 1 4 . 1 1 41 41 ILE CA C 41 61.575 61.575 59.020 2.555 25437 2055 1 4 . 1 1 41 41 ILE CB C 41 38.774 38.774 41.619 -2.845 25437 2056 1 4 . 1 1 41 41 ILE H H 41 8.776 8.776 8.095 0.681 25437 2057 1 4 . 1 1 42 42 ARG N N 42 123.358 123.358 128.014 -4.656 25437 2058 1 4 . 1 1 42 42 ARG HA H 42 4.725 4.725 4.534 0.191 25437 2059 1 4 . 1 1 42 42 ARG CA C 42 54.576 54.576 55.438 -0.862 25437 2060 1 4 . 1 1 42 42 ARG CB C 42 33.425 33.425 30.762 2.663 25437 2061 1 4 . 1 1 42 42 ARG H H 42 7.154 7.154 8.419 -1.265 25437 2062 1 4 . 1 1 43 43 THR N N 43 115.494 115.494 117.458 -1.964 25437 2063 1 4 . 1 1 43 43 THR HA H 43 4.539 4.539 4.410 0.129 25437 2064 1 4 . 1 1 43 43 THR CA C 43 61.022 61.022 61.378 -0.356 25437 2065 1 4 . 1 1 43 43 THR CB C 43 70.577 70.577 69.746 0.831 25437 2066 1 4 . 1 1 43 43 THR H H 43 8.519 8.519 8.497 0.022 25437 2067 1 4 . 1 1 44 44 VAL N N 44 121.526 121.526 115.508 6.018 25437 2068 1 4 . 1 1 44 44 VAL HA H 44 3.956 3.956 4.142 -0.186 25437 2069 1 4 . 1 1 44 44 VAL CA C 44 63.977 63.977 64.051 -0.074 25437 2070 1 4 . 1 1 44 44 VAL CB C 44 32.313 32.313 30.941 1.372 25437 2071 1 4 . 1 1 44 44 VAL H H 44 8.516 8.516 8.339 0.177 25437 2072 1 4 . 1 1 45 45 ALA N N 45 125.457 125.457 121.821 3.636 25437 2073 1 4 . 1 1 45 45 ALA HA H 45 4.260 4.260 4.524 -0.264 25437 2074 1 4 . 1 1 45 45 ALA CA C 45 53.278 53.278 53.546 -0.268 25437 2075 1 4 . 1 1 45 45 ALA CB C 45 18.641 18.641 19.484 -0.843 25437 2076 1 4 . 1 1 45 45 ALA H H 45 8.311 8.311 7.997 0.314 25437 2077 1 4 . 1 1 46 46 GLN N N 46 118.271 118.271 119.949 -1.678 25437 2078 1 4 . 1 1 46 46 GLN HA H 46 4.232 4.232 4.138 0.094 25437 2079 1 4 . 1 1 46 46 GLN CA C 46 56.717 56.717 58.211 -1.494 25437 2080 1 4 . 1 1 46 46 GLN CB C 46 28.901 28.901 28.117 0.784 25437 2081 1 4 . 1 1 46 46 GLN H H 46 8.109 8.109 7.934 0.175 25437 2082 1 4 . 1 1 47 47 SER N N 47 116.127 116.127 114.867 1.260 25437 2083 1 4 . 1 1 47 47 SER HA H 47 4.361 4.361 4.192 0.169 25437 2084 1 4 . 1 1 47 47 SER CA C 47 59.082 59.082 60.815 -1.733 25437 2085 1 4 . 1 1 47 47 SER CB C 47 64.009 64.009 62.919 1.090 25437 2086 1 4 . 1 1 47 47 SER H H 47 8.199 8.199 8.025 0.174 25437 2087 1 4 . 1 1 48 48 ALA N N 48 124.628 124.628 123.569 1.059 25437 2088 1 4 . 1 1 48 48 ALA HA H 48 4.253 4.253 4.307 -0.054 25437 2089 1 4 . 1 1 48 48 ALA CA C 48 53.325 53.325 53.992 -0.667 25437 2090 1 4 . 1 1 48 48 ALA CB C 48 18.552 18.552 18.745 -0.193 25437 2091 1 4 . 1 1 48 48 ALA H H 48 8.315 8.315 8.246 0.069 25437 2092 1 4 . 1 1 49 49 GLN N N 49 119.160 119.160 118.807 0.353 25437 2093 1 4 . 1 1 49 49 GLN HA H 49 4.232 4.232 4.143 0.089 25437 2094 1 4 . 1 1 49 49 GLN CA C 49 56.850 56.850 57.744 -0.894 25437 2095 1 4 . 1 1 49 49 GLN CB C 49 28.992 28.992 28.653 0.339 25437 2096 1 4 . 1 1 49 49 GLN H H 49 8.153 8.153 7.825 0.328 25437 2097 1 4 . 1 1 50 50 ASN N N 50 119.112 119.112 119.998 -0.886 25437 2098 1 4 . 1 1 50 50 ASN HA H 50 4.660 4.660 4.469 0.191 25437 2099 1 4 . 1 1 50 50 ASN CA C 50 53.572 53.572 56.526 -2.954 25437 2100 1 4 . 1 1 50 50 ASN CB C 50 38.376 38.376 38.274 0.102 25437 2101 1 4 . 1 1 50 50 ASN H H 50 8.205 8.205 8.149 0.056 25437 2102 1 4 . 1 1 51 51 ILE N N 51 120.639 120.639 117.171 3.468 25437 2103 1 4 . 1 1 51 51 ILE HA H 51 4.095 4.095 4.119 -0.024 25437 2104 1 4 . 1 1 51 51 ILE CA C 51 61.954 61.954 63.559 -1.605 25437 2105 1 4 . 1 1 51 51 ILE CB C 51 38.414 38.414 36.831 1.583 25437 2106 1 4 . 1 1 51 51 ILE H H 51 7.939 7.939 7.381 0.558 25437 2107 1 4 . 1 1 52 52 ALA N N 52 126.459 126.459 121.689 4.770 25437 2108 1 4 . 1 1 52 52 ALA HA H 52 4.246 4.246 3.989 0.257 25437 2109 1 4 . 1 1 52 52 ALA CA C 52 53.189 53.189 54.128 -0.939 25437 2110 1 4 . 1 1 52 52 ALA CB C 52 18.453 18.453 18.355 0.098 25437 2111 1 4 . 1 1 52 52 ALA H H 52 8.251 8.251 8.265 -0.014 25437 2112 1 4 . 1 1 53 53 ASN N N 53 116.801 116.801 116.963 -0.162 25437 2113 1 4 . 1 1 53 53 ASN HA H 53 4.648 4.648 4.441 0.207 25437 2114 1 4 . 1 1 53 53 ASN CA C 53 53.425 53.425 55.169 -1.744 25437 2115 1 4 . 1 1 53 53 ASN CB C 53 38.600 38.600 38.935 -0.335 25437 2116 1 4 . 1 1 53 53 ASN H H 53 8.230 8.230 8.076 0.154 25437 2117 1 4 . 1 1 54 54 GLY N N 54 108.549 108.549 103.770 4.779 25437 2118 1 4 . 1 1 54 54 GLY CA C 54 45.746 45.746 44.957 0.789 25437 2119 1 4 . 1 1 54 54 GLY H H 54 8.191 8.191 7.796 0.395 25437 2120 1 4 . 1 1 55 55 THR N N 55 112.528 112.528 115.456 -2.928 25437 2121 1 4 . 1 1 55 55 THR HA H 55 4.282 4.282 4.653 -0.371 25437 2122 1 4 . 1 1 55 55 THR CA C 55 62.118 62.118 60.653 1.465 25437 2123 1 4 . 1 1 55 55 THR CB C 55 69.796 69.796 69.505 0.291 25437 2124 1 4 . 1 1 55 55 THR H H 55 8.003 8.003 7.682 0.321 25437 2125 1 4 . 1 1 56 56 SER N N 56 116.986 116.986 124.876 -7.890 25437 2126 1 4 . 1 1 56 56 SER HA H 56 4.362 4.362 4.390 -0.028 25437 2127 1 4 . 1 1 56 56 SER CA C 56 58.454 58.454 60.088 -1.634 25437 2128 1 4 . 1 1 56 56 SER CB C 56 63.762 63.762 63.731 0.031 25437 2129 1 4 . 1 1 56 56 SER H H 56 8.043 8.043 8.934 -0.891 25437 2130 1 4 . 1 1 57 57 PHE N N 57 121.981 121.981 120.903 1.078 25437 2131 1 4 . 1 1 57 57 PHE HA H 57 4.579 4.579 4.317 0.262 25437 2132 1 4 . 1 1 57 57 PHE CA C 57 57.929 57.929 60.264 -2.335 25437 2133 1 4 . 1 1 57 57 PHE CB C 57 39.068 39.068 39.136 -0.068 25437 2134 1 4 . 1 1 57 57 PHE H H 57 8.120 8.120 8.404 -0.284 25437 2135 1 4 . 1 1 58 58 LEU N N 58 121.621 121.621 118.204 3.417 25437 2136 1 4 . 1 1 58 58 LEU HA H 58 4.174 4.174 4.522 -0.348 25437 2137 1 4 . 1 1 58 58 LEU CA C 58 55.350 55.350 53.718 1.632 25437 2138 1 4 . 1 1 58 58 LEU CB C 58 42.340 42.340 40.917 1.423 25437 2139 1 4 . 1 1 58 58 LEU H H 58 7.806 7.806 7.618 0.188 25437 2140 1 4 . 1 1 59 59 LYS N N 59 120.388 120.388 122.380 -1.992 25437 2141 1 4 . 1 1 59 59 LYS HA H 59 4.230 4.230 4.051 0.179 25437 2142 1 4 . 1 1 59 59 LYS CA C 59 55.823 55.823 57.554 -1.731 25437 2143 1 4 . 1 1 59 59 LYS CB C 59 32.616 32.616 31.531 1.085 25437 2144 1 4 . 1 1 59 59 LYS H H 59 8.068 8.068 7.759 0.309 25437 2145 1 4 . 1 1 60 60 ASP N N 60 121.094 121.094 125.034 -3.940 25437 2146 1 4 . 1 1 60 60 ASP HA H 60 4.828 4.828 4.729 0.099 25437 2147 1 4 . 1 1 60 60 ASP CA C 60 53.698 53.698 53.500 0.198 25437 2148 1 4 . 1 1 60 60 ASP CB C 60 41.652 41.652 41.956 -0.304 25437 2149 1 4 . 1 1 60 60 ASP H H 60 7.959 7.959 8.113 -0.154 25437 2150 1 4 . 1 1 61 61 PRO HA H 61 4.388 4.388 4.569 -0.181 25437 2151 1 4 . 1 1 61 61 PRO CA C 61 63.263 63.263 63.278 -0.015 25437 2152 1 4 . 1 1 61 61 PRO CB C 61 31.697 31.697 30.331 1.366 25437 2153 1 4 . 1 1 62 62 SER N N 62 115.353 115.353 116.849 -1.496 25437 2154 1 4 . 1 1 62 62 SER HA H 62 4.365 4.365 4.591 -0.226 25437 2155 1 4 . 1 1 62 62 SER CA C 62 59.258 59.258 57.623 1.635 25437 2156 1 4 . 1 1 62 62 SER CB C 62 63.634 63.634 64.306 -0.672 25437 2157 1 4 . 1 1 62 62 SER H H 62 8.420 8.420 8.245 0.175 25437 2158 1 4 . 1 1 63 63 LYS N N 63 122.360 122.360 121.248 1.112 25437 2159 1 4 . 1 1 63 63 LYS HA H 63 4.266 4.266 4.241 0.025 25437 2160 1 4 . 1 1 63 63 LYS CA C 63 56.628 56.628 58.151 -1.523 25437 2161 1 4 . 1 1 63 63 LYS CB C 63 29.327 29.327 32.545 -3.218 25437 2162 1 4 . 1 1 63 63 LYS H H 63 8.405 8.405 8.382 0.023 25437 2163 1 4 . 1 1 65 65 LYS N N 65 125.418 125.418 119.275 6.143 25437 2164 1 4 . 1 1 65 65 LYS HA H 65 4.146 4.146 4.639 -0.493 25437 2165 1 4 . 1 1 65 65 LYS CA C 65 63.350 63.350 56.359 6.991 25437 2166 1 4 . 1 1 65 65 LYS CB C 65 31.891 31.891 32.846 -0.955 25437 2167 1 4 . 1 1 65 65 LYS H H 65 8.369 8.369 8.957 -0.588 25437 2168 1 4 . 1 1 66 66 HIS N N 66 121.236 121.236 119.713 1.523 25437 2169 1 4 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.435 0.110 25437 2170 1 4 . 1 1 66 66 HIS CA C 66 59.256 59.256 59.467 -0.211 25437 2171 1 4 . 1 1 66 66 HIS CB C 66 28.619 28.619 29.623 -1.004 25437 2172 1 4 . 1 1 66 66 HIS H H 66 8.758 8.758 8.617 0.141 25437 2173 1 4 . 1 1 67 67 ILE N N 67 120.137 120.137 119.383 0.754 25437 2174 1 4 . 1 1 67 67 ILE HA H 67 4.372 4.372 4.010 0.362 25437 2175 1 4 . 1 1 67 67 ILE CA C 67 63.961 63.961 63.628 0.333 25437 2176 1 4 . 1 1 67 67 ILE CB C 67 37.935 37.935 36.555 1.380 25437 2177 1 4 . 1 1 67 67 ILE H H 67 7.849 7.849 8.392 -0.543 25437 2178 1 4 . 1 1 68 68 THR N N 68 104.067 104.067 109.716 -5.649 25437 2179 1 4 . 1 1 68 68 THR HA H 68 4.397 4.397 4.373 0.024 25437 2180 1 4 . 1 1 68 68 THR CA C 68 61.343 61.343 62.124 -0.781 25437 2181 1 4 . 1 1 68 68 THR CB C 68 68.473 68.473 69.580 -1.107 25437 2182 1 4 . 1 1 68 68 THR H H 68 7.168 7.168 7.844 -0.676 25437 2183 1 4 . 1 1 69 69 GLY N N 69 107.308 107.308 110.334 -3.026 25437 2184 1 4 . 1 1 69 69 GLY CA C 69 46.665 46.665 46.247 0.418 25437 2185 1 4 . 1 1 69 69 GLY H H 69 7.169 7.169 7.859 -0.690 25437 2186 1 4 . 1 1 70 70 ASP N N 70 114.629 114.629 118.112 -3.483 25437 2187 1 4 . 1 1 70 70 ASP HA H 70 4.734 4.734 4.622 0.112 25437 2188 1 4 . 1 1 70 70 ASP CA C 70 54.627 54.627 53.360 1.267 25437 2189 1 4 . 1 1 70 70 ASP CB C 70 44.451 44.451 41.144 3.307 25437 2190 1 4 . 1 1 70 70 ASP H H 70 7.644 7.644 7.764 -0.120 25437 2191 1 4 . 1 1 71 71 ALA N N 71 118.917 118.917 119.090 -0.173 25437 2192 1 4 . 1 1 71 71 ALA HA H 71 5.062 5.062 5.056 0.006 25437 2193 1 4 . 1 1 71 71 ALA CA C 71 51.498 51.498 51.320 0.178 25437 2194 1 4 . 1 1 71 71 ALA CB C 71 21.994 21.994 21.749 0.245 25437 2195 1 4 . 1 1 71 71 ALA H H 71 7.529 7.529 7.306 0.223 25437 2196 1 4 . 1 1 72 72 ILE N N 72 110.818 110.818 113.214 -2.396 25437 2197 1 4 . 1 1 72 72 ILE HA H 72 5.249 5.249 4.509 0.740 25437 2198 1 4 . 1 1 72 72 ILE CA C 72 58.821 58.821 60.385 -1.564 25437 2199 1 4 . 1 1 72 72 ILE CB C 72 43.709 43.709 42.190 1.519 25437 2200 1 4 . 1 1 72 72 ILE H H 72 8.449 8.449 8.728 -0.279 25437 2201 1 4 . 1 1 73 73 ASP N N 73 117.790 117.790 121.305 -3.515 25437 2202 1 4 . 1 1 73 73 ASP HA H 73 6.094 6.094 5.488 0.606 25437 2203 1 4 . 1 1 73 73 ASP CA C 73 52.090 52.090 53.270 -1.180 25437 2204 1 4 . 1 1 73 73 ASP CB C 73 42.655 42.655 44.987 -2.332 25437 2205 1 4 . 1 1 73 73 ASP H H 73 8.442 8.442 8.993 -0.551 25437 2206 1 4 . 1 1 74 74 PHE N N 74 122.479 122.479 122.708 -0.229 25437 2207 1 4 . 1 1 74 74 PHE HA H 74 6.173 6.173 5.377 0.796 25437 2208 1 4 . 1 1 74 74 PHE CA C 74 54.775 54.775 55.820 -1.045 25437 2209 1 4 . 1 1 74 74 PHE CB C 74 44.115 44.115 42.784 1.331 25437 2210 1 4 . 1 1 74 74 PHE H H 74 9.463 9.463 9.001 0.462 25437 2211 1 4 . 1 1 75 75 ALA N N 75 118.862 118.862 121.232 -2.370 25437 2212 1 4 . 1 1 75 75 ALA HA H 75 4.453 4.453 4.403 0.050 25437 2213 1 4 . 1 1 75 75 ALA CA C 75 50.134 50.134 49.059 1.075 25437 2214 1 4 . 1 1 75 75 ALA CB C 75 21.020 21.020 21.529 -0.509 25437 2215 1 4 . 1 1 75 75 ALA H H 75 8.575 8.575 9.063 -0.488 25437 2216 1 4 . 1 1 76 76 PRO HA H 76 4.466 4.466 4.792 -0.326 25437 2217 1 4 . 1 1 76 76 PRO CA C 76 62.353 62.353 63.021 -0.668 25437 2218 1 4 . 1 1 76 76 PRO CB C 76 32.135 32.135 31.547 0.588 25437 2219 1 4 . 1 1 77 77 TYR N N 77 126.211 126.211 126.258 -0.047 25437 2220 1 4 . 1 1 77 77 TYR HA H 77 4.835 4.835 4.722 0.113 25437 2221 1 4 . 1 1 77 77 TYR CA C 77 56.830 56.830 58.695 -1.865 25437 2222 1 4 . 1 1 77 77 TYR CB C 77 40.384 40.384 39.809 0.575 25437 2223 1 4 . 1 1 77 77 TYR H H 77 8.357 8.357 8.458 -0.101 25437 2224 1 4 . 1 1 78 78 ILE N N 78 124.613 124.613 125.237 -0.624 25437 2225 1 4 . 1 1 78 78 ILE HA H 78 4.210 4.210 4.359 -0.149 25437 2226 1 4 . 1 1 78 78 ILE CA C 78 59.941 59.941 60.002 -0.061 25437 2227 1 4 . 1 1 78 78 ILE CB C 78 40.652 40.652 41.724 -1.072 25437 2228 1 4 . 1 1 78 78 ILE H H 78 8.334 8.334 8.938 -0.604 25437 2229 1 4 . 1 1 79 79 ASN N N 79 126.361 126.361 124.605 1.756 25437 2230 1 4 . 1 1 79 79 ASN HA H 79 4.339 4.339 4.428 -0.089 25437 2231 1 4 . 1 1 79 79 ASN CA C 79 53.937 53.937 53.778 0.159 25437 2232 1 4 . 1 1 79 79 ASN CB C 79 36.887 36.887 37.811 -0.924 25437 2233 1 4 . 1 1 79 79 ASN H H 79 9.444 9.444 9.246 0.198 25437 2234 1 4 . 1 1 80 80 GLY N N 80 102.068 102.068 102.327 -0.259 25437 2235 1 4 . 1 1 80 80 GLY CA C 80 45.663 45.663 45.684 -0.021 25437 2236 1 4 . 1 1 80 80 GLY H H 80 8.240 8.240 8.847 -0.607 25437 2237 1 4 . 1 1 81 81 LYS N N 81 117.260 117.260 115.815 1.445 25437 2238 1 4 . 1 1 81 81 LYS HA H 81 4.534 4.534 4.251 0.283 25437 2239 1 4 . 1 1 81 81 LYS CA C 81 54.226 54.226 53.399 0.827 25437 2240 1 4 . 1 1 81 81 LYS CB C 81 35.655 35.655 34.937 0.718 25437 2241 1 4 . 1 1 81 81 LYS H H 81 7.046 7.046 7.272 -0.226 25437 2242 1 4 . 1 1 82 82 ILE N N 82 122.347 122.347 119.878 2.469 25437 2243 1 4 . 1 1 82 82 ILE HA H 82 4.091 4.091 3.495 0.596 25437 2244 1 4 . 1 1 82 82 ILE CA C 82 62.621 62.621 61.993 0.628 25437 2245 1 4 . 1 1 82 82 ILE CB C 82 37.833 37.833 37.839 -0.006 25437 2246 1 4 . 1 1 82 82 ILE H H 82 8.418 8.418 8.226 0.192 25437 2247 1 4 . 1 1 83 83 ASP N N 83 128.498 128.498 126.704 1.794 25437 2248 1 4 . 1 1 83 83 ASP HA H 83 4.808 4.808 4.647 0.161 25437 2249 1 4 . 1 1 83 83 ASP CA C 83 51.619 51.619 52.977 -1.358 25437 2250 1 4 . 1 1 83 83 ASP CB C 83 41.079 41.079 40.549 0.530 25437 2251 1 4 . 1 1 83 83 ASP H H 83 8.028 8.028 8.351 -0.323 25437 2252 1 4 . 1 1 84 84 TRP N N 84 121.807 121.807 124.633 -2.826 25437 2253 1 4 . 1 1 84 84 TRP HA H 84 4.574 4.574 4.682 -0.108 25437 2254 1 4 . 1 1 84 84 TRP CA C 84 58.456 58.456 57.854 0.602 25437 2255 1 4 . 1 1 84 84 TRP CB C 84 30.177 30.177 30.591 -0.414 25437 2256 1 4 . 1 1 84 84 TRP H H 84 8.081 8.081 7.953 0.128 25437 2257 1 4 . 1 1 85 85 ASN N N 85 113.227 113.227 116.040 -2.813 25437 2258 1 4 . 1 1 85 85 ASN HA H 85 4.975 4.975 4.733 0.242 25437 2259 1 4 . 1 1 85 85 ASN CA C 85 53.430 53.430 54.554 -1.124 25437 2260 1 4 . 1 1 85 85 ASN CB C 85 40.162 40.162 39.136 1.026 25437 2261 1 4 . 1 1 85 85 ASN H H 85 8.386 8.386 7.989 0.397 25437 2262 1 4 . 1 1 86 86 ASP N N 86 118.821 118.821 121.376 -2.555 25437 2263 1 4 . 1 1 86 86 ASP HA H 86 4.813 4.813 4.878 -0.065 25437 2264 1 4 . 1 1 86 86 ASP CA C 86 52.255 52.255 52.354 -0.099 25437 2265 1 4 . 1 1 86 86 ASP CB C 86 37.613 37.613 39.965 -2.352 25437 2266 1 4 . 1 1 86 86 ASP H H 86 7.405 7.405 8.262 -0.857 25437 2267 1 4 . 1 1 87 87 LEU N N 87 127.177 127.177 124.628 2.549 25437 2268 1 4 . 1 1 87 87 LEU HA H 87 4.055 4.055 4.326 -0.271 25437 2269 1 4 . 1 1 87 87 LEU CA C 87 58.321 58.321 55.445 2.876 25437 2270 1 4 . 1 1 87 87 LEU CB C 87 40.887 40.887 41.188 -0.301 25437 2271 1 4 . 1 1 87 87 LEU H H 87 8.274 8.274 7.986 0.288 25437 2272 1 4 . 1 1 88 88 GLU N N 88 114.132 114.132 120.412 -6.280 25437 2273 1 4 . 1 1 88 88 GLU HA H 88 3.938 3.938 4.007 -0.069 25437 2274 1 4 . 1 1 88 88 GLU CA C 88 59.437 59.437 59.845 -0.408 25437 2275 1 4 . 1 1 88 88 GLU CB C 88 27.987 27.987 29.454 -1.467 25437 2276 1 4 . 1 1 88 88 GLU H H 88 8.257 8.257 8.134 0.123 25437 2277 1 4 . 1 1 89 89 ALA N N 89 122.075 122.075 121.674 0.401 25437 2278 1 4 . 1 1 89 89 ALA HA H 89 3.799 3.799 4.246 -0.447 25437 2279 1 4 . 1 1 89 89 ALA CA C 89 54.703 54.703 54.728 -0.025 25437 2280 1 4 . 1 1 89 89 ALA CB C 89 17.635 17.635 18.142 -0.507 25437 2281 1 4 . 1 1 89 89 ALA H H 89 7.418 7.418 7.828 -0.410 25437 2282 1 4 . 1 1 90 90 PHE N N 90 116.551 116.551 118.705 -2.154 25437 2283 1 4 . 1 1 90 90 PHE HA H 90 4.025 4.025 4.335 -0.310 25437 2284 1 4 . 1 1 90 90 PHE CA C 90 64.150 64.150 59.715 4.435 25437 2285 1 4 . 1 1 90 90 PHE CB C 90 38.965 38.965 38.812 0.153 25437 2286 1 4 . 1 1 90 90 PHE H H 90 7.777 7.777 7.763 0.014 25437 2287 1 4 . 1 1 91 91 TRP N N 91 119.390 119.390 120.632 -1.242 25437 2288 1 4 . 1 1 91 91 TRP HA H 91 4.578 4.578 4.078 0.500 25437 2289 1 4 . 1 1 91 91 TRP CA C 91 59.217 59.217 59.305 -0.088 25437 2290 1 4 . 1 1 91 91 TRP CB C 91 29.802 29.802 29.093 0.709 25437 2291 1 4 . 1 1 91 91 TRP H H 91 7.821 7.821 7.795 0.026 25437 2292 1 4 . 1 1 92 92 ALA N N 92 121.275 121.275 122.097 -0.822 25437 2293 1 4 . 1 1 92 92 ALA HA H 92 4.124 4.124 3.829 0.295 25437 2294 1 4 . 1 1 92 92 ALA CA C 92 55.229 55.229 54.684 0.545 25437 2295 1 4 . 1 1 92 92 ALA CB C 92 18.870 18.870 18.136 0.734 25437 2296 1 4 . 1 1 92 92 ALA H H 92 8.242 8.242 7.830 0.412 25437 2297 1 4 . 1 1 93 93 VAL N N 93 120.454 120.454 118.659 1.795 25437 2298 1 4 . 1 1 93 93 VAL HA H 93 3.600 3.600 3.675 -0.075 25437 2299 1 4 . 1 1 93 93 VAL CA C 93 66.424 66.424 64.925 1.499 25437 2300 1 4 . 1 1 93 93 VAL CB C 93 30.676 30.676 31.868 -1.192 25437 2301 1 4 . 1 1 93 93 VAL H H 93 8.259 8.259 7.909 0.350 25437 2302 1 4 . 1 1 94 94 LYS N N 94 122.098 122.098 119.445 2.653 25437 2303 1 4 . 1 1 94 94 LYS HA H 94 3.690 3.690 3.777 -0.087 25437 2304 1 4 . 1 1 94 94 LYS CA C 94 60.959 60.959 60.099 0.860 25437 2305 1 4 . 1 1 94 94 LYS CB C 94 31.484 31.484 31.801 -0.317 25437 2306 1 4 . 1 1 94 94 LYS H H 94 8.382 8.382 7.500 0.882 25437 2307 1 4 . 1 1 95 95 LYS N N 95 118.030 118.030 118.905 -0.875 25437 2308 1 4 . 1 1 95 95 LYS HA H 95 3.958 3.958 4.302 -0.344 25437 2309 1 4 . 1 1 95 95 LYS CA C 95 59.212 59.212 59.280 -0.068 25437 2310 1 4 . 1 1 95 95 LYS CB C 95 31.219 31.219 32.150 -0.931 25437 2311 1 4 . 1 1 95 95 LYS H H 95 7.957 7.957 7.477 0.480 25437 2312 1 4 . 1 1 96 96 ALA N N 96 124.359 124.359 120.766 3.593 25437 2313 1 4 . 1 1 96 96 ALA HA H 96 4.229 4.229 4.089 0.140 25437 2314 1 4 . 1 1 96 96 ALA CA C 96 55.422 55.422 54.852 0.570 25437 2315 1 4 . 1 1 96 96 ALA CB C 96 17.148 17.148 18.245 -1.097 25437 2316 1 4 . 1 1 96 96 ALA H H 96 7.668 7.668 7.399 0.269 25437 2317 1 4 . 1 1 97 97 PHE N N 97 117.446 117.446 119.320 -1.874 25437 2318 1 4 . 1 1 97 97 PHE HA H 97 3.883 3.883 4.124 -0.241 25437 2319 1 4 . 1 1 97 97 PHE CA C 97 63.187 63.187 62.131 1.056 25437 2320 1 4 . 1 1 97 97 PHE CB C 97 40.401 40.401 39.197 1.204 25437 2321 1 4 . 1 1 97 97 PHE H H 97 8.369 8.369 7.926 0.443 25437 2322 1 4 . 1 1 98 98 GLU N N 98 119.148 119.148 117.582 1.566 25437 2323 1 4 . 1 1 98 98 GLU HA H 98 4.140 4.140 3.949 0.191 25437 2324 1 4 . 1 1 98 98 GLU CA C 98 59.610 59.610 58.884 0.726 25437 2325 1 4 . 1 1 98 98 GLU CB C 98 29.444 29.444 28.907 0.537 25437 2326 1 4 . 1 1 98 98 GLU H H 98 8.821 8.821 8.190 0.631 25437 2327 1 4 . 1 1 99 99 GLN N N 99 120.727 120.727 118.417 2.310 25437 2328 1 4 . 1 1 99 99 GLN HA H 99 4.061 4.061 4.169 -0.108 25437 2329 1 4 . 1 1 99 99 GLN CA C 99 59.130 59.130 57.957 1.173 25437 2330 1 4 . 1 1 99 99 GLN CB C 99 27.524 27.524 28.977 -1.453 25437 2331 1 4 . 1 1 99 99 GLN H H 99 8.436 8.436 7.781 0.655 25437 2332 1 4 . 1 1 100 100 ALA N N 100 122.603 122.603 122.897 -0.294 25437 2333 1 4 . 1 1 100 100 ALA HA H 100 3.886 3.886 4.095 -0.209 25437 2334 1 4 . 1 1 100 100 ALA CA C 100 55.399 55.399 54.776 0.623 25437 2335 1 4 . 1 1 100 100 ALA CB C 100 19.472 19.472 18.169 1.303 25437 2336 1 4 . 1 1 100 100 ALA H H 100 8.433 8.433 8.025 0.408 25437 2337 1 4 . 1 1 101 101 GLY N N 101 104.253 104.253 105.243 -0.990 25437 2338 1 4 . 1 1 101 101 GLY CA C 101 47.843 47.843 46.789 1.054 25437 2339 1 4 . 1 1 101 101 GLY H H 101 9.035 9.035 8.129 0.906 25437 2340 1 4 . 1 1 102 102 LYS N N 102 121.912 121.912 121.424 0.488 25437 2341 1 4 . 1 1 102 102 LYS HA H 102 4.116 4.116 4.057 0.059 25437 2342 1 4 . 1 1 102 102 LYS CA C 102 59.314 59.314 59.205 0.109 25437 2343 1 4 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.250 -0.071 25437 2344 1 4 . 1 1 102 102 LYS H H 102 7.928 7.928 7.281 0.647 25437 2345 1 4 . 1 1 103 103 GLU N N 103 119.382 119.382 119.229 0.153 25437 2346 1 4 . 1 1 103 103 GLU HA H 103 3.989 3.989 4.110 -0.121 25437 2347 1 4 . 1 1 103 103 GLU CA C 103 59.093 59.093 58.641 0.452 25437 2348 1 4 . 1 1 103 103 GLU CB C 103 30.127 30.127 29.399 0.728 25437 2349 1 4 . 1 1 103 103 GLU H H 103 8.406 8.406 7.630 0.776 25437 2350 1 4 . 1 1 104 104 LEU N N 104 115.551 115.551 118.595 -3.044 25437 2351 1 4 . 1 1 104 104 LEU HA H 104 4.360 4.360 4.249 0.111 25437 2352 1 4 . 1 1 104 104 LEU CA C 104 55.185 55.185 55.972 -0.787 25437 2353 1 4 . 1 1 104 104 LEU CB C 104 43.105 43.105 42.298 0.806 25437 2354 1 4 . 1 1 104 104 LEU H H 104 7.999 7.999 8.513 -0.514 25437 2355 1 4 . 1 1 105 105 GLY N N 105 110.561 110.561 106.020 4.541 25437 2356 1 4 . 1 1 105 105 GLY CA C 105 46.480 46.480 45.667 0.812 25437 2357 1 4 . 1 1 105 105 GLY H H 105 7.898 7.898 7.678 0.220 25437 2358 1 4 . 1 1 106 106 ILE N N 106 121.745 121.745 121.660 0.085 25437 2359 1 4 . 1 1 106 106 ILE HA H 106 4.227 4.227 3.911 0.316 25437 2360 1 4 . 1 1 106 106 ILE CA C 106 59.717 59.717 61.437 -1.720 25437 2361 1 4 . 1 1 106 106 ILE CB C 106 41.096 41.096 38.395 2.701 25437 2362 1 4 . 1 1 106 106 ILE H H 106 8.428 8.428 7.806 0.622 25437 2363 1 4 . 1 1 107 107 LYS N N 107 127.736 127.736 127.023 0.713 25437 2364 1 4 . 1 1 107 107 LYS HA H 107 4.275 4.275 4.129 0.146 25437 2365 1 4 . 1 1 107 107 LYS CA C 107 57.224 57.224 57.436 -0.212 25437 2366 1 4 . 1 1 107 107 LYS CB C 107 32.752 32.752 32.735 0.017 25437 2367 1 4 . 1 1 107 107 LYS H H 107 8.489 8.489 8.447 0.042 25437 2368 1 4 . 1 1 108 108 LEU N N 108 122.881 122.881 122.123 0.758 25437 2369 1 4 . 1 1 108 108 LEU HA H 108 5.235 5.235 4.663 0.572 25437 2370 1 4 . 1 1 108 108 LEU CA C 108 53.287 53.287 54.716 -1.429 25437 2371 1 4 . 1 1 108 108 LEU CB C 108 47.016 47.016 44.630 2.386 25437 2372 1 4 . 1 1 108 108 LEU H H 108 8.049 8.049 7.998 0.051 25437 2373 1 4 . 1 1 109 109 ARG N N 109 120.726 120.726 122.684 -1.958 25437 2374 1 4 . 1 1 109 109 ARG HA H 109 4.438 4.438 4.165 0.273 25437 2375 1 4 . 1 1 109 109 ARG CA C 109 55.193 55.193 55.482 -0.289 25437 2376 1 4 . 1 1 109 109 ARG CB C 109 33.519 33.519 34.765 -1.246 25437 2377 1 4 . 1 1 109 109 ARG H H 109 8.736 8.736 8.062 0.674 25437 2378 1 4 . 1 1 110 110 PHE N N 110 121.516 121.516 118.548 2.968 25437 2379 1 4 . 1 1 110 110 PHE HA H 110 5.303 5.303 5.122 0.181 25437 2380 1 4 . 1 1 110 110 PHE CA C 110 56.644 56.644 55.183 1.461 25437 2381 1 4 . 1 1 110 110 PHE CB C 110 40.602 40.602 41.314 -0.712 25437 2382 1 4 . 1 1 110 110 PHE H H 110 8.707 8.707 8.115 0.592 25437 2383 1 4 . 1 1 111 111 GLY N N 111 108.992 108.992 108.988 0.004 25437 2384 1 4 . 1 1 111 111 GLY CA C 111 45.604 45.604 45.264 0.341 25437 2385 1 4 . 1 1 111 111 GLY H H 111 7.819 7.819 8.585 -0.766 25437 2386 1 4 . 1 1 112 112 ALA N N 112 111.448 111.448 126.876 -15.428 25437 2387 1 4 . 1 1 112 112 ALA HA H 112 3.858 3.858 4.923 -1.065 25437 2388 1 4 . 1 1 112 112 ALA CA C 112 52.083 52.083 52.046 0.037 25437 2389 1 4 . 1 1 112 112 ALA CB C 112 18.655 18.655 19.256 -0.601 25437 2390 1 4 . 1 1 112 112 ALA H H 112 7.945 7.945 7.887 0.058 25437 2391 1 4 . 1 1 113 113 ASP N N 113 106.770 106.770 118.916 -12.146 25437 2392 1 4 . 1 1 113 113 ASP HA H 113 5.157 5.157 4.659 0.498 25437 2393 1 4 . 1 1 113 113 ASP CA C 113 52.285 52.285 55.384 -3.099 25437 2394 1 4 . 1 1 113 113 ASP CB C 113 41.465 41.465 40.959 0.506 25437 2395 1 4 . 1 1 113 113 ASP H H 113 7.000 7.000 8.156 -1.156 25437 2396 1 4 . 1 1 114 114 TRP N N 114 119.829 119.829 120.014 -0.185 25437 2397 1 4 . 1 1 114 114 TRP HA H 114 4.184 4.184 4.558 -0.374 25437 2398 1 4 . 1 1 114 114 TRP CA C 114 61.455 61.455 58.937 2.518 25437 2399 1 4 . 1 1 114 114 TRP CB C 114 26.427 26.427 29.198 -2.771 25437 2400 1 4 . 1 1 114 114 TRP H H 114 7.589 7.589 7.951 -0.362 25437 2401 1 4 . 1 1 115 115 ASN N N 115 117.900 117.900 117.256 0.644 25437 2402 1 4 . 1 1 115 115 ASN HA H 115 4.548 4.548 4.553 -0.005 25437 2403 1 4 . 1 1 115 115 ASN CA C 115 55.955 55.955 55.920 0.035 25437 2404 1 4 . 1 1 115 115 ASN CB C 115 36.818 36.818 37.856 -1.038 25437 2405 1 4 . 1 1 115 115 ASN H H 115 9.503 9.503 8.653 0.850 25437 2406 1 4 . 1 1 116 116 ALA N N 116 123.758 123.758 122.827 0.931 25437 2407 1 4 . 1 1 116 116 ALA HA H 116 4.181 4.181 4.161 0.020 25437 2408 1 4 . 1 1 116 116 ALA CA C 116 53.111 53.111 54.397 -1.286 25437 2409 1 4 . 1 1 116 116 ALA CB C 116 16.596 16.596 17.879 -1.283 25437 2410 1 4 . 1 1 116 116 ALA H H 116 8.079 8.079 8.155 -0.076 25437 2411 1 4 . 1 1 117 117 SER N N 117 116.009 116.009 113.383 2.626 25437 2412 1 4 . 1 1 117 117 SER HA H 117 4.417 4.417 4.293 0.124 25437 2413 1 4 . 1 1 117 117 SER CA C 117 59.433 59.433 60.434 -1.001 25437 2414 1 4 . 1 1 117 117 SER CB C 117 65.026 65.026 63.765 1.261 25437 2415 1 4 . 1 1 117 117 SER H H 117 9.460 9.460 7.720 1.740 25437 2416 1 4 . 1 1 118 118 GLY N N 118 115.031 115.031 107.865 7.166 25437 2417 1 4 . 1 1 118 118 GLY CA C 118 45.197 45.197 44.823 0.374 25437 2418 1 4 . 1 1 118 118 GLY H H 118 10.733 10.733 7.804 2.929 25437 2419 1 4 . 1 1 119 119 ASP N N 119 116.435 116.435 121.417 -4.982 25437 2420 1 4 . 1 1 119 119 ASP HA H 119 4.590 4.590 4.613 -0.023 25437 2421 1 4 . 1 1 119 119 ASP CA C 119 53.181 53.181 54.608 -1.427 25437 2422 1 4 . 1 1 119 119 ASP CB C 119 43.864 43.864 41.689 2.175 25437 2423 1 4 . 1 1 119 119 ASP H H 119 7.770 7.770 8.040 -0.270 25437 2424 1 4 . 1 1 120 120 TYR N N 120 120.253 120.253 119.306 0.947 25437 2425 1 4 . 1 1 120 120 TYR HA H 120 6.088 6.088 4.416 1.672 25437 2426 1 4 . 1 1 120 120 TYR CA C 120 56.003 56.003 58.417 -2.414 25437 2427 1 4 . 1 1 120 120 TYR CB C 120 40.371 40.371 39.498 0.873 25437 2428 1 4 . 1 1 120 120 TYR H H 120 6.801 6.801 8.654 -1.853 25437 2429 1 4 . 1 1 121 121 HIS HA H 121 4.537 4.537 4.107 0.430 25437 2430 1 4 . 1 1 121 121 HIS CA C 121 59.002 59.002 59.416 -0.414 25437 2431 1 4 . 1 1 121 121 HIS CB C 121 27.950 27.950 29.890 -1.940 25437 2432 1 4 . 1 1 122 122 ASP N N 122 111.622 111.622 114.512 -2.890 25437 2433 1 4 . 1 1 122 122 ASP HA H 122 4.815 4.815 4.463 0.352 25437 2434 1 4 . 1 1 122 122 ASP CA C 122 51.612 51.612 54.529 -2.917 25437 2435 1 4 . 1 1 122 122 ASP CB C 122 36.980 36.980 40.483 -3.503 25437 2436 1 4 . 1 1 122 122 ASP H H 122 8.154 8.154 7.891 0.263 25437 2437 1 4 . 1 1 124 124 ILE N N 124 119.763 119.763 113.041 6.722 25437 2438 1 4 . 1 1 124 124 ILE HA H 124 3.843 3.843 4.000 -0.157 25437 2439 1 4 . 1 1 124 124 ILE CA C 124 64.714 64.714 63.336 1.378 25437 2440 1 4 . 1 1 124 124 ILE CB C 124 36.859 36.859 37.829 -0.970 25437 2441 1 4 . 1 1 124 124 ILE H H 124 7.639 7.639 8.328 -0.689 25437 2442 1 4 . 1 1 125 125 LYS N N 125 121.010 121.010 119.454 1.556 25437 2443 1 4 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.126 -0.017 25437 2444 1 4 . 1 1 125 125 LYS CA C 125 59.241 59.241 58.598 0.643 25437 2445 1 4 . 1 1 125 125 LYS CB C 125 31.985 31.985 31.988 -0.003 25437 2446 1 4 . 1 1 125 125 LYS H H 125 7.739 7.739 8.299 -0.560 25437 2447 1 4 . 1 1 126 126 ARG N N 126 115.276 115.276 117.163 -1.887 25437 2448 1 4 . 1 1 126 126 ARG HA H 126 4.338 4.338 4.413 -0.075 25437 2449 1 4 . 1 1 126 126 ARG CA C 126 57.189 57.189 55.234 1.954 25437 2450 1 4 . 1 1 126 126 ARG CB C 126 31.015 31.015 30.518 0.497 25437 2451 1 4 . 1 1 126 126 ARG H H 126 7.904 7.904 7.714 0.190 25437 2452 1 4 . 1 1 127 127 GLY N N 127 107.767 107.767 108.933 -1.166 25437 2453 1 4 . 1 1 127 127 GLY CA C 127 45.822 45.822 45.815 0.007 25437 2454 1 4 . 1 1 127 127 GLY H H 127 7.912 7.912 8.017 -0.105 25437 2455 1 4 . 1 1 128 128 THR N N 128 107.570 107.570 112.363 -4.793 25437 2456 1 4 . 1 1 128 128 THR HA H 128 4.252 4.252 4.477 -0.225 25437 2457 1 4 . 1 1 128 128 THR CA C 128 60.620 60.620 59.332 1.288 25437 2458 1 4 . 1 1 128 128 THR CB C 128 69.224 69.224 70.188 -0.964 25437 2459 1 4 . 1 1 128 128 THR H H 128 8.121 8.121 7.454 0.667 25437 2460 1 4 . 1 1 129 129 TYR N N 129 123.143 123.143 121.473 1.670 25437 2461 1 4 . 1 1 129 129 TYR HA H 129 4.173 4.173 4.568 -0.395 25437 2462 1 4 . 1 1 129 129 TYR CA C 129 61.448 61.448 56.668 4.780 25437 2463 1 4 . 1 1 129 129 TYR CB C 129 38.796 38.796 38.587 0.209 25437 2464 1 4 . 1 1 129 129 TYR H H 129 7.209 7.209 8.543 -1.334 25437 2465 1 4 . 1 1 130 130 ASP N N 130 117.930 117.930 122.028 -4.098 25437 2466 1 4 . 1 1 130 130 ASP HA H 130 4.641 4.641 4.171 0.470 25437 2467 1 4 . 1 1 130 130 ASP CA C 130 53.440 53.440 55.765 -2.325 25437 2468 1 4 . 1 1 130 130 ASP CB C 130 43.221 43.221 39.677 3.544 25437 2469 1 4 . 1 1 130 130 ASP H H 130 8.216 8.216 7.432 0.784 25437 2470 1 4 . 1 1 132 132 GLY N N 132 107.481 107.481 111.908 -4.427 25437 2471 1 4 . 1 1 132 132 GLY CA C 132 44.013 44.013 45.300 -1.287 25437 2472 1 4 . 1 1 132 132 GLY H H 132 8.304 8.304 7.683 0.621 25437 2473 1 4 . 1 1 133 133 HIS N N 133 117.609 117.609 122.936 -5.327 25437 2474 1 4 . 1 1 133 133 HIS HA H 133 5.430 5.430 4.703 0.727 25437 2475 1 4 . 1 1 133 133 HIS CA C 133 57.155 57.155 56.547 0.608 25437 2476 1 4 . 1 1 133 133 HIS CB C 133 31.667 31.667 29.508 2.159 25437 2477 1 4 . 1 1 133 133 HIS H H 133 6.942 6.942 7.544 -0.602 25437 2478 1 4 . 1 1 134 134 VAL N N 134 133.201 133.201 123.262 9.939 25437 2479 1 4 . 1 1 134 134 VAL HA H 134 4.254 4.254 5.284 -1.030 25437 2480 1 4 . 1 1 134 134 VAL CA C 134 61.676 61.676 59.430 2.246 25437 2481 1 4 . 1 1 134 134 VAL CB C 134 34.775 34.775 33.255 1.520 25437 2482 1 4 . 1 1 134 134 VAL H H 134 9.127 9.127 8.134 0.993 25437 2483 1 4 . 1 1 135 135 GLU N N 135 119.904 119.904 123.711 -3.807 25437 2484 1 4 . 1 1 135 135 GLU HA H 135 5.458 5.458 5.040 0.418 25437 2485 1 4 . 1 1 135 135 GLU CA C 135 52.126 52.126 53.757 -1.631 25437 2486 1 4 . 1 1 135 135 GLU CB C 135 34.550 34.550 33.784 0.766 25437 2487 1 4 . 1 1 135 135 GLU H H 135 8.501 8.501 8.119 0.382 25437 2488 1 4 . 1 1 136 136 LEU N N 136 119.357 119.357 121.955 -2.598 25437 2489 1 4 . 1 1 136 136 LEU HA H 136 4.432 4.432 4.534 -0.102 25437 2490 1 4 . 1 1 136 136 LEU CA C 136 54.772 54.772 54.668 0.104 25437 2491 1 4 . 1 1 136 136 LEU CB C 136 42.524 42.524 40.981 1.543 25437 2492 1 4 . 1 1 136 136 LEU H H 136 8.280 8.280 8.430 -0.150 25437 2493 1 5 . 1 1 3 3 PHE N N 3 121.785 121.785 126.103 -4.318 25437 2494 1 5 . 1 1 3 3 PHE HA H 3 4.792 4.792 4.073 0.719 25437 2495 1 5 . 1 1 3 3 PHE CA C 3 56.407 56.407 58.715 -2.308 25437 2496 1 5 . 1 1 3 3 PHE CB C 3 40.111 40.111 39.665 0.446 25437 2497 1 5 . 1 1 3 3 PHE H H 3 8.534 8.534 8.652 -0.118 25437 2498 1 5 . 1 1 4 4 LYS N N 4 119.409 119.409 123.147 -3.738 25437 2499 1 5 . 1 1 4 4 LYS HA H 4 4.452 4.452 4.066 0.386 25437 2500 1 5 . 1 1 4 4 LYS CA C 4 54.774 54.774 54.020 0.754 25437 2501 1 5 . 1 1 4 4 LYS CB C 4 35.710 35.710 34.685 1.025 25437 2502 1 5 . 1 1 4 4 LYS H H 4 8.367 8.367 7.356 1.011 25437 2503 1 5 . 1 1 5 5 PHE N N 5 124.495 124.495 121.258 3.237 25437 2504 1 5 . 1 1 5 5 PHE HA H 5 4.873 4.873 4.450 0.423 25437 2505 1 5 . 1 1 5 5 PHE CA C 5 58.636 58.636 57.533 1.103 25437 2506 1 5 . 1 1 5 5 PHE CB C 5 39.217 39.217 38.031 1.186 25437 2507 1 5 . 1 1 5 5 PHE H H 5 8.603 8.603 7.911 0.692 25437 2508 1 5 . 1 1 6 6 GLY N N 6 108.622 108.622 112.384 -3.762 25437 2509 1 5 . 1 1 6 6 GLY CA C 6 43.819 43.819 44.805 -0.986 25437 2510 1 5 . 1 1 6 6 GLY H H 6 8.559 8.559 8.040 0.519 25437 2511 1 5 . 1 1 7 7 LYS N N 7 119.341 119.341 120.907 -1.566 25437 2512 1 5 . 1 1 7 7 LYS HA H 7 3.958 3.958 4.059 -0.101 25437 2513 1 5 . 1 1 7 7 LYS CA C 7 60.087 60.087 59.559 0.528 25437 2514 1 5 . 1 1 7 7 LYS CB C 7 32.399 32.399 32.265 0.134 25437 2515 1 5 . 1 1 7 7 LYS H H 7 8.692 8.692 8.583 0.109 25437 2516 1 5 . 1 1 8 8 ASN N N 8 118.555 118.555 115.303 3.252 25437 2517 1 5 . 1 1 8 8 ASN HA H 8 4.551 4.551 4.594 -0.043 25437 2518 1 5 . 1 1 8 8 ASN CA C 8 56.776 56.776 55.657 1.119 25437 2519 1 5 . 1 1 8 8 ASN CB C 8 36.961 36.961 37.936 -0.975 25437 2520 1 5 . 1 1 8 8 ASN H H 8 9.185 9.185 8.505 0.680 25437 2521 1 5 . 1 1 9 9 SER N N 9 118.632 118.632 117.945 0.687 25437 2522 1 5 . 1 1 9 9 SER HA H 9 4.283 4.283 4.209 0.074 25437 2523 1 5 . 1 1 9 9 SER CA C 9 62.790 62.790 61.593 1.197 25437 2524 1 5 . 1 1 9 9 SER CB C 9 62.790 62.790 63.158 -0.368 25437 2525 1 5 . 1 1 9 9 SER H H 9 8.076 8.076 8.160 -0.084 25437 2526 1 5 . 1 1 10 10 GLU N N 10 120.882 120.882 120.956 -0.074 25437 2527 1 5 . 1 1 10 10 GLU HA H 10 3.977 3.977 3.975 0.002 25437 2528 1 5 . 1 1 10 10 GLU CA C 10 59.409 59.409 59.335 0.074 25437 2529 1 5 . 1 1 10 10 GLU CB C 10 28.556 28.556 28.821 -0.265 25437 2530 1 5 . 1 1 10 10 GLU H H 10 8.351 8.351 8.398 -0.047 25437 2531 1 5 . 1 1 11 11 LYS N N 11 120.030 120.030 119.267 0.763 25437 2532 1 5 . 1 1 11 11 LYS HA H 11 4.056 4.056 4.113 -0.057 25437 2533 1 5 . 1 1 11 11 LYS CA C 11 59.477 59.477 58.583 0.894 25437 2534 1 5 . 1 1 11 11 LYS CB C 11 32.032 32.032 32.387 -0.355 25437 2535 1 5 . 1 1 11 11 LYS H H 11 7.937 7.937 7.487 0.450 25437 2536 1 5 . 1 1 12 12 GLN N N 12 114.749 114.749 119.400 -4.651 25437 2537 1 5 . 1 1 12 12 GLN HA H 12 4.147 4.147 4.070 0.077 25437 2538 1 5 . 1 1 12 12 GLN CA C 12 57.373 57.373 58.952 -1.579 25437 2539 1 5 . 1 1 12 12 GLN CB C 12 28.511 28.511 28.512 -0.001 25437 2540 1 5 . 1 1 12 12 GLN H H 12 7.562 7.562 7.908 -0.346 25437 2541 1 5 . 1 1 13 13 LEU N N 13 121.751 121.751 118.235 3.516 25437 2542 1 5 . 1 1 13 13 LEU HA H 13 3.880 3.880 4.244 -0.364 25437 2543 1 5 . 1 1 13 13 LEU CA C 13 57.080 57.080 56.355 0.725 25437 2544 1 5 . 1 1 13 13 LEU CB C 13 42.413 42.413 40.301 2.112 25437 2545 1 5 . 1 1 13 13 LEU H H 13 8.725 8.725 8.181 0.544 25437 2546 1 5 . 1 1 14 14 ALA N N 14 116.323 116.323 119.610 -3.287 25437 2547 1 5 . 1 1 14 14 ALA HA H 14 4.070 4.070 4.245 -0.175 25437 2548 1 5 . 1 1 14 14 ALA CA C 14 53.706 53.706 53.816 -0.110 25437 2549 1 5 . 1 1 14 14 ALA CB C 14 18.020 18.020 18.835 -0.815 25437 2550 1 5 . 1 1 14 14 ALA H H 14 7.574 7.574 7.473 0.101 25437 2551 1 5 . 1 1 15 15 THR N N 15 104.034 104.034 110.133 -6.099 25437 2552 1 5 . 1 1 15 15 THR HA H 15 4.431 4.431 4.411 0.020 25437 2553 1 5 . 1 1 15 15 THR CA C 15 62.381 62.381 61.545 0.836 25437 2554 1 5 . 1 1 15 15 THR CB C 15 70.327 70.327 69.651 0.676 25437 2555 1 5 . 1 1 15 15 THR H H 15 7.326 7.326 7.356 -0.030 25437 2556 1 5 . 1 1 16 16 VAL N N 16 112.438 112.438 122.792 -10.354 25437 2557 1 5 . 1 1 16 16 VAL HA H 16 4.922 4.922 3.942 0.980 25437 2558 1 5 . 1 1 16 16 VAL CA C 16 59.661 59.661 62.958 -3.297 25437 2559 1 5 . 1 1 16 16 VAL CB C 16 32.989 32.989 32.849 0.140 25437 2560 1 5 . 1 1 16 16 VAL H H 16 7.164 7.164 7.338 -0.174 25437 2561 1 5 . 1 1 17 17 LYS N N 17 120.729 120.729 128.337 -7.608 25437 2562 1 5 . 1 1 17 17 LYS HA H 17 4.230 4.230 4.406 -0.176 25437 2563 1 5 . 1 1 17 17 LYS CA C 17 55.486 55.486 57.457 -1.971 25437 2564 1 5 . 1 1 17 17 LYS CB C 17 32.079 32.079 30.521 1.558 25437 2565 1 5 . 1 1 17 17 LYS H H 17 8.907 8.907 8.750 0.157 25437 2566 1 5 . 1 1 18 18 PRO HA H 18 4.130 4.130 4.502 -0.372 25437 2567 1 5 . 1 1 18 18 PRO CA C 18 65.813 65.813 63.067 2.746 25437 2568 1 5 . 1 1 18 18 PRO CB C 18 31.864 31.864 31.926 -0.062 25437 2569 1 5 . 1 1 19 19 GLU N N 19 117.608 117.608 117.852 -0.244 25437 2570 1 5 . 1 1 19 19 GLU HA H 19 4.011 4.011 4.425 -0.414 25437 2571 1 5 . 1 1 19 19 GLU CA C 19 61.031 61.031 56.573 4.458 25437 2572 1 5 . 1 1 19 19 GLU CB C 19 29.117 29.117 29.219 -0.102 25437 2573 1 5 . 1 1 19 19 GLU H H 19 9.714 9.714 8.732 0.982 25437 2574 1 5 . 1 1 20 20 LEU N N 20 117.938 117.938 118.660 -0.722 25437 2575 1 5 . 1 1 20 20 LEU HA H 20 4.258 4.258 3.960 0.298 25437 2576 1 5 . 1 1 20 20 LEU CA C 20 56.261 56.261 58.117 -1.856 25437 2577 1 5 . 1 1 20 20 LEU CB C 20 41.894 41.894 40.731 1.163 25437 2578 1 5 . 1 1 20 20 LEU H H 20 7.188 7.188 7.891 -0.703 25437 2579 1 5 . 1 1 21 21 GLN N N 21 118.367 118.367 118.530 -0.163 25437 2580 1 5 . 1 1 21 21 GLN HA H 21 3.831 3.831 3.971 -0.140 25437 2581 1 5 . 1 1 21 21 GLN CA C 21 60.100 60.100 58.668 1.432 25437 2582 1 5 . 1 1 21 21 GLN CB C 21 27.745 27.745 27.459 0.286 25437 2583 1 5 . 1 1 21 21 GLN H H 21 7.805 7.805 8.501 -0.696 25437 2584 1 5 . 1 1 22 22 LYS N N 22 116.715 116.715 120.178 -3.463 25437 2585 1 5 . 1 1 22 22 LYS HA H 22 3.962 3.962 3.982 -0.020 25437 2586 1 5 . 1 1 22 22 LYS CA C 22 59.816 59.816 59.556 0.261 25437 2587 1 5 . 1 1 22 22 LYS CB C 22 32.520 32.520 32.011 0.509 25437 2588 1 5 . 1 1 22 22 LYS H H 22 8.143 8.143 8.198 -0.055 25437 2589 1 5 . 1 1 23 23 VAL N N 23 118.397 118.397 119.474 -1.077 25437 2590 1 5 . 1 1 23 23 VAL HA H 23 3.591 3.591 3.565 0.026 25437 2591 1 5 . 1 1 23 23 VAL CA C 23 66.313 66.313 65.993 0.320 25437 2592 1 5 . 1 1 23 23 VAL CB C 23 31.529 31.529 30.857 0.672 25437 2593 1 5 . 1 1 23 23 VAL H H 23 7.715 7.715 7.545 0.170 25437 2594 1 5 . 1 1 24 24 ALA N N 24 121.929 121.929 122.063 -0.134 25437 2595 1 5 . 1 1 24 24 ALA HA H 24 4.024 4.024 3.537 0.487 25437 2596 1 5 . 1 1 24 24 ALA CA C 24 55.444 55.444 55.323 0.121 25437 2597 1 5 . 1 1 24 24 ALA CB C 24 18.086 18.086 18.367 -0.281 25437 2598 1 5 . 1 1 24 24 ALA H H 24 8.307 8.307 7.461 0.846 25437 2599 1 5 . 1 1 25 25 ARG N N 25 114.491 114.491 119.460 -4.969 25437 2600 1 5 . 1 1 25 25 ARG HA H 25 4.114 4.114 4.211 -0.097 25437 2601 1 5 . 1 1 25 25 ARG CA C 25 60.717 60.717 59.747 0.970 25437 2602 1 5 . 1 1 25 25 ARG CB C 25 29.257 29.257 30.365 -1.108 25437 2603 1 5 . 1 1 25 25 ARG H H 25 8.224 8.224 8.475 -0.251 25437 2604 1 5 . 1 1 26 26 ARG N N 26 119.944 119.944 119.125 0.819 25437 2605 1 5 . 1 1 26 26 ARG HA H 26 4.223 4.223 4.007 0.216 25437 2606 1 5 . 1 1 26 26 ARG CA C 26 57.097 57.097 59.109 -2.012 25437 2607 1 5 . 1 1 26 26 ARG CB C 26 28.888 28.888 30.073 -1.185 25437 2608 1 5 . 1 1 26 26 ARG H H 26 7.703 7.703 8.095 -0.392 25437 2609 1 5 . 1 1 27 27 ALA N N 27 122.041 122.041 122.554 -0.513 25437 2610 1 5 . 1 1 27 27 ALA HA H 27 3.611 3.611 3.909 -0.298 25437 2611 1 5 . 1 1 27 27 ALA CA C 27 55.249 55.249 54.979 0.270 25437 2612 1 5 . 1 1 27 27 ALA CB C 27 15.829 15.829 17.778 -1.949 25437 2613 1 5 . 1 1 27 27 ALA H H 27 8.754 8.754 8.264 0.490 25437 2614 1 5 . 1 1 28 28 LEU N N 28 117.421 117.421 118.466 -1.045 25437 2615 1 5 . 1 1 28 28 LEU HA H 28 4.053 4.053 4.194 -0.141 25437 2616 1 5 . 1 1 28 28 LEU CA C 28 57.757 57.757 58.604 -0.847 25437 2617 1 5 . 1 1 28 28 LEU CB C 28 40.351 40.351 42.072 -1.721 25437 2618 1 5 . 1 1 28 28 LEU H H 28 7.657 7.657 8.009 -0.352 25437 2619 1 5 . 1 1 29 29 GLU N N 29 114.911 114.911 117.480 -2.569 25437 2620 1 5 . 1 1 29 29 GLU HA H 29 4.023 4.023 4.146 -0.123 25437 2621 1 5 . 1 1 29 29 GLU CA C 29 58.489 58.489 58.057 0.432 25437 2622 1 5 . 1 1 29 29 GLU CB C 29 29.540 29.540 30.139 -0.599 25437 2623 1 5 . 1 1 29 29 GLU H H 29 7.039 7.039 7.538 -0.499 25437 2624 1 5 . 1 1 30 30 LEU N N 30 117.166 117.166 119.125 -1.959 25437 2625 1 5 . 1 1 30 30 LEU HA H 30 4.281 4.281 4.027 0.254 25437 2626 1 5 . 1 1 30 30 LEU CA C 30 55.266 55.266 56.731 -1.465 25437 2627 1 5 . 1 1 30 30 LEU CB C 30 44.403 44.403 42.371 2.032 25437 2628 1 5 . 1 1 30 30 LEU H H 30 7.353 7.353 8.146 -0.793 25437 2629 1 5 . 1 1 31 31 SER N N 31 116.260 116.260 114.527 1.733 25437 2630 1 5 . 1 1 31 31 SER HA H 31 4.557 4.557 4.262 0.295 25437 2631 1 5 . 1 1 31 31 SER CA C 31 55.723 55.723 57.309 -1.586 25437 2632 1 5 . 1 1 31 31 SER CB C 31 65.560 65.560 64.294 1.266 25437 2633 1 5 . 1 1 31 31 SER H H 31 7.742 7.742 7.872 -0.130 25437 2634 1 5 . 1 1 32 32 PRO HA H 32 4.609 4.609 4.250 0.359 25437 2635 1 5 . 1 1 32 32 PRO CA C 32 63.483 63.483 64.126 -0.643 25437 2636 1 5 . 1 1 32 32 PRO CB C 32 31.236 31.236 31.613 -0.378 25437 2637 1 5 . 1 1 33 33 TYR N N 33 114.714 114.714 118.248 -3.534 25437 2638 1 5 . 1 1 33 33 TYR HA H 33 4.710 4.710 4.712 -0.002 25437 2639 1 5 . 1 1 33 33 TYR CA C 33 56.742 56.742 55.950 0.792 25437 2640 1 5 . 1 1 33 33 TYR CB C 33 41.506 41.506 38.911 2.595 25437 2641 1 5 . 1 1 33 33 TYR H H 33 7.727 7.727 7.177 0.550 25437 2642 1 5 . 1 1 34 34 ASP N N 34 125.197 125.197 121.032 4.165 25437 2643 1 5 . 1 1 34 34 ASP HA H 34 3.524 3.524 4.628 -1.104 25437 2644 1 5 . 1 1 34 34 ASP CA C 34 52.353 52.353 56.164 -3.811 25437 2645 1 5 . 1 1 34 34 ASP CB C 34 37.720 37.720 42.049 -4.329 25437 2646 1 5 . 1 1 34 34 ASP H H 34 8.630 8.630 8.929 -0.299 25437 2647 1 5 . 1 1 35 35 PHE N N 35 115.803 115.803 114.122 1.681 25437 2648 1 5 . 1 1 35 35 PHE HA H 35 5.131 5.131 5.526 -0.395 25437 2649 1 5 . 1 1 35 35 PHE CA C 35 55.839 55.839 56.585 -0.746 25437 2650 1 5 . 1 1 35 35 PHE CB C 35 40.751 40.751 43.141 -2.390 25437 2651 1 5 . 1 1 35 35 PHE H H 35 7.250 7.250 8.159 -0.909 25437 2652 1 5 . 1 1 36 36 THR N N 36 113.338 113.338 116.841 -3.503 25437 2653 1 5 . 1 1 36 36 THR HA H 36 4.769 4.769 4.529 0.240 25437 2654 1 5 . 1 1 36 36 THR CA C 36 58.833 58.833 59.448 -0.615 25437 2655 1 5 . 1 1 36 36 THR CB C 36 71.387 71.387 70.027 1.360 25437 2656 1 5 . 1 1 36 36 THR H H 36 9.026 9.026 8.938 0.088 25437 2657 1 5 . 1 1 37 37 ILE N N 37 124.219 124.219 127.830 -3.611 25437 2658 1 5 . 1 1 37 37 ILE HA H 37 4.676 4.676 4.318 0.358 25437 2659 1 5 . 1 1 37 37 ILE CA C 37 58.395 58.395 61.997 -3.602 25437 2660 1 5 . 1 1 37 37 ILE CB C 37 34.649 34.649 37.977 -3.329 25437 2661 1 5 . 1 1 37 37 ILE H H 37 8.476 8.476 8.994 -0.518 25437 2662 1 5 . 1 1 38 38 VAL N N 38 124.271 124.271 126.333 -2.062 25437 2663 1 5 . 1 1 38 38 VAL HA H 38 3.981 3.981 4.201 -0.220 25437 2664 1 5 . 1 1 38 38 VAL CA C 38 63.144 63.144 63.607 -0.463 25437 2665 1 5 . 1 1 38 38 VAL CB C 38 32.658 32.658 33.096 -0.438 25437 2666 1 5 . 1 1 38 38 VAL H H 38 8.640 8.640 8.761 -0.121 25437 2667 1 5 . 1 1 39 39 GLN N N 39 115.210 115.210 117.200 -1.990 25437 2668 1 5 . 1 1 39 39 GLN HA H 39 4.378 4.378 4.550 -0.172 25437 2669 1 5 . 1 1 39 39 GLN CA C 39 56.197 56.197 55.270 0.927 25437 2670 1 5 . 1 1 39 39 GLN CB C 39 33.463 33.463 32.410 1.053 25437 2671 1 5 . 1 1 39 39 GLN H H 39 7.305 7.305 7.838 -0.533 25437 2672 1 5 . 1 1 40 40 GLY N N 40 116.022 116.022 111.470 4.552 25437 2673 1 5 . 1 1 40 40 GLY CA C 40 45.347 45.347 45.186 0.161 25437 2674 1 5 . 1 1 40 40 GLY H H 40 8.851 8.851 8.875 -0.024 25437 2675 1 5 . 1 1 41 41 ILE N N 41 132.358 132.358 121.516 10.842 25437 2676 1 5 . 1 1 41 41 ILE HA H 41 4.715 4.715 4.613 0.102 25437 2677 1 5 . 1 1 41 41 ILE CA C 41 61.575 61.575 58.977 2.598 25437 2678 1 5 . 1 1 41 41 ILE CB C 41 38.774 38.774 41.395 -2.621 25437 2679 1 5 . 1 1 41 41 ILE H H 41 8.776 8.776 8.120 0.656 25437 2680 1 5 . 1 1 42 42 ARG N N 42 123.358 123.358 126.899 -3.541 25437 2681 1 5 . 1 1 42 42 ARG HA H 42 4.725 4.725 4.577 0.148 25437 2682 1 5 . 1 1 42 42 ARG CA C 42 54.576 54.576 55.885 -1.309 25437 2683 1 5 . 1 1 42 42 ARG CB C 42 33.425 33.425 32.193 1.232 25437 2684 1 5 . 1 1 42 42 ARG H H 42 7.154 7.154 8.215 -1.061 25437 2685 1 5 . 1 1 43 43 THR N N 43 115.494 115.494 116.326 -0.832 25437 2686 1 5 . 1 1 43 43 THR HA H 43 4.539 4.539 4.600 -0.061 25437 2687 1 5 . 1 1 43 43 THR CA C 43 61.022 61.022 60.643 0.379 25437 2688 1 5 . 1 1 43 43 THR CB C 43 70.577 70.577 70.108 0.469 25437 2689 1 5 . 1 1 43 43 THR H H 43 8.519 8.519 8.030 0.489 25437 2690 1 5 . 1 1 44 44 VAL N N 44 121.526 121.526 117.139 4.387 25437 2691 1 5 . 1 1 44 44 VAL HA H 44 3.956 3.956 4.203 -0.247 25437 2692 1 5 . 1 1 44 44 VAL CA C 44 63.977 63.977 63.923 0.054 25437 2693 1 5 . 1 1 44 44 VAL CB C 44 32.313 32.313 30.953 1.360 25437 2694 1 5 . 1 1 44 44 VAL H H 44 8.516 8.516 8.286 0.230 25437 2695 1 5 . 1 1 45 45 ALA N N 45 125.457 125.457 121.957 3.500 25437 2696 1 5 . 1 1 45 45 ALA HA H 45 4.260 4.260 4.390 -0.130 25437 2697 1 5 . 1 1 45 45 ALA CA C 45 53.278 53.278 53.325 -0.047 25437 2698 1 5 . 1 1 45 45 ALA CB C 45 18.641 18.641 19.485 -0.844 25437 2699 1 5 . 1 1 45 45 ALA H H 45 8.311 8.311 7.928 0.384 25437 2700 1 5 . 1 1 46 46 GLN N N 46 118.271 118.271 119.521 -1.250 25437 2701 1 5 . 1 1 46 46 GLN HA H 46 4.232 4.232 4.099 0.133 25437 2702 1 5 . 1 1 46 46 GLN CA C 46 56.717 56.717 58.660 -1.943 25437 2703 1 5 . 1 1 46 46 GLN CB C 46 28.901 28.901 28.283 0.618 25437 2704 1 5 . 1 1 46 46 GLN H H 46 8.109 8.109 8.442 -0.333 25437 2705 1 5 . 1 1 47 47 SER N N 47 116.127 116.127 114.482 1.645 25437 2706 1 5 . 1 1 47 47 SER HA H 47 4.361 4.361 4.184 0.177 25437 2707 1 5 . 1 1 47 47 SER CA C 47 59.082 59.082 61.029 -1.947 25437 2708 1 5 . 1 1 47 47 SER CB C 47 64.009 64.009 62.788 1.221 25437 2709 1 5 . 1 1 47 47 SER H H 47 8.199 8.199 8.059 0.140 25437 2710 1 5 . 1 1 48 48 ALA N N 48 124.628 124.628 124.681 -0.053 25437 2711 1 5 . 1 1 48 48 ALA HA H 48 4.253 4.253 4.118 0.135 25437 2712 1 5 . 1 1 48 48 ALA CA C 48 53.325 53.325 54.613 -1.288 25437 2713 1 5 . 1 1 48 48 ALA CB C 48 18.552 18.552 18.433 0.119 25437 2714 1 5 . 1 1 48 48 ALA H H 48 8.315 8.315 8.423 -0.108 25437 2715 1 5 . 1 1 49 49 GLN N N 49 119.160 119.160 117.385 1.775 25437 2716 1 5 . 1 1 49 49 GLN HA H 49 4.232 4.232 4.164 0.068 25437 2717 1 5 . 1 1 49 49 GLN CA C 49 56.850 56.850 57.288 -0.439 25437 2718 1 5 . 1 1 49 49 GLN CB C 49 28.992 28.992 28.357 0.635 25437 2719 1 5 . 1 1 49 49 GLN H H 49 8.153 8.153 7.936 0.217 25437 2720 1 5 . 1 1 50 50 ASN N N 50 119.112 119.112 120.396 -1.284 25437 2721 1 5 . 1 1 50 50 ASN HA H 50 4.660 4.660 4.495 0.165 25437 2722 1 5 . 1 1 50 50 ASN CA C 50 53.572 53.572 55.787 -2.215 25437 2723 1 5 . 1 1 50 50 ASN CB C 50 38.376 38.376 38.658 -0.282 25437 2724 1 5 . 1 1 50 50 ASN H H 50 8.205 8.205 8.061 0.144 25437 2725 1 5 . 1 1 51 51 ILE N N 51 120.639 120.639 117.502 3.137 25437 2726 1 5 . 1 1 51 51 ILE HA H 51 4.095 4.095 4.214 -0.119 25437 2727 1 5 . 1 1 51 51 ILE CA C 51 61.954 61.954 62.527 -0.573 25437 2728 1 5 . 1 1 51 51 ILE CB C 51 38.414 38.414 36.026 2.388 25437 2729 1 5 . 1 1 51 51 ILE H H 51 7.939 7.939 7.377 0.562 25437 2730 1 5 . 1 1 52 52 ALA N N 52 126.459 126.459 123.776 2.683 25437 2731 1 5 . 1 1 52 52 ALA HA H 52 4.246 4.246 3.987 0.259 25437 2732 1 5 . 1 1 52 52 ALA CA C 52 53.189 53.189 54.623 -1.434 25437 2733 1 5 . 1 1 52 52 ALA CB C 52 18.453 18.453 18.403 0.050 25437 2734 1 5 . 1 1 52 52 ALA H H 52 8.251 8.251 7.976 0.275 25437 2735 1 5 . 1 1 53 53 ASN N N 53 116.801 116.801 117.385 -0.584 25437 2736 1 5 . 1 1 53 53 ASN HA H 53 4.648 4.648 4.620 0.028 25437 2737 1 5 . 1 1 53 53 ASN CA C 53 53.425 53.425 54.257 -0.832 25437 2738 1 5 . 1 1 53 53 ASN CB C 53 38.600 38.600 39.080 -0.480 25437 2739 1 5 . 1 1 53 53 ASN H H 53 8.230 8.230 7.866 0.364 25437 2740 1 5 . 1 1 54 54 GLY N N 54 108.549 108.549 107.085 1.464 25437 2741 1 5 . 1 1 54 54 GLY CA C 54 45.746 45.746 44.869 0.877 25437 2742 1 5 . 1 1 54 54 GLY H H 54 8.191 8.191 7.804 0.387 25437 2743 1 5 . 1 1 55 55 THR N N 55 112.528 112.528 113.205 -0.677 25437 2744 1 5 . 1 1 55 55 THR HA H 55 4.282 4.282 4.708 -0.426 25437 2745 1 5 . 1 1 55 55 THR CA C 55 62.118 62.118 61.093 1.025 25437 2746 1 5 . 1 1 55 55 THR CB C 55 69.796 69.796 70.334 -0.538 25437 2747 1 5 . 1 1 55 55 THR H H 55 8.003 8.003 7.438 0.565 25437 2748 1 5 . 1 1 56 56 SER N N 56 116.986 116.986 120.449 -3.463 25437 2749 1 5 . 1 1 56 56 SER HA H 56 4.362 4.362 4.192 0.170 25437 2750 1 5 . 1 1 56 56 SER CA C 56 58.454 58.454 59.391 -0.937 25437 2751 1 5 . 1 1 56 56 SER CB C 56 63.762 63.762 63.017 0.746 25437 2752 1 5 . 1 1 56 56 SER H H 56 8.043 8.043 8.638 -0.595 25437 2753 1 5 . 1 1 57 57 PHE N N 57 121.981 121.981 121.107 0.874 25437 2754 1 5 . 1 1 57 57 PHE HA H 57 4.579 4.579 4.307 0.272 25437 2755 1 5 . 1 1 57 57 PHE CA C 57 57.929 57.929 59.676 -1.747 25437 2756 1 5 . 1 1 57 57 PHE CB C 57 39.068 39.068 38.736 0.332 25437 2757 1 5 . 1 1 57 57 PHE H H 57 8.120 8.120 7.904 0.216 25437 2758 1 5 . 1 1 58 58 LEU N N 58 121.621 121.621 118.913 2.708 25437 2759 1 5 . 1 1 58 58 LEU HA H 58 4.174 4.174 4.473 -0.299 25437 2760 1 5 . 1 1 58 58 LEU CA C 58 55.350 55.350 54.137 1.213 25437 2761 1 5 . 1 1 58 58 LEU CB C 58 42.340 42.340 40.603 1.737 25437 2762 1 5 . 1 1 58 58 LEU H H 58 7.806 7.806 7.914 -0.108 25437 2763 1 5 . 1 1 59 59 LYS N N 59 120.388 120.388 119.718 0.670 25437 2764 1 5 . 1 1 59 59 LYS HA H 59 4.230 4.230 4.059 0.171 25437 2765 1 5 . 1 1 59 59 LYS CA C 59 55.823 55.823 56.420 -0.597 25437 2766 1 5 . 1 1 59 59 LYS CB C 59 32.616 32.616 32.784 -0.168 25437 2767 1 5 . 1 1 59 59 LYS H H 59 8.068 8.068 7.335 0.733 25437 2768 1 5 . 1 1 60 60 ASP N N 60 121.094 121.094 120.629 0.465 25437 2769 1 5 . 1 1 60 60 ASP HA H 60 4.828 4.828 4.410 0.418 25437 2770 1 5 . 1 1 60 60 ASP CA C 60 53.698 53.698 54.289 -0.591 25437 2771 1 5 . 1 1 60 60 ASP CB C 60 41.652 41.652 40.395 1.257 25437 2772 1 5 . 1 1 60 60 ASP H H 60 7.959 7.959 8.484 -0.525 25437 2773 1 5 . 1 1 61 61 PRO HA H 61 4.388 4.388 4.514 -0.126 25437 2774 1 5 . 1 1 61 61 PRO CA C 61 63.263 63.263 63.072 0.191 25437 2775 1 5 . 1 1 61 61 PRO CB C 61 31.697 31.697 32.442 -0.745 25437 2776 1 5 . 1 1 62 62 SER N N 62 115.353 115.353 117.224 -1.871 25437 2777 1 5 . 1 1 62 62 SER HA H 62 4.365 4.365 4.552 -0.187 25437 2778 1 5 . 1 1 62 62 SER CA C 62 59.258 59.258 57.980 1.278 25437 2779 1 5 . 1 1 62 62 SER CB C 62 63.634 63.634 63.804 -0.170 25437 2780 1 5 . 1 1 62 62 SER H H 62 8.420 8.420 8.255 0.165 25437 2781 1 5 . 1 1 63 63 LYS N N 63 122.360 122.360 121.760 0.600 25437 2782 1 5 . 1 1 63 63 LYS HA H 63 4.266 4.266 4.197 0.069 25437 2783 1 5 . 1 1 63 63 LYS CA C 63 56.628 56.628 57.889 -1.261 25437 2784 1 5 . 1 1 63 63 LYS CB C 63 29.327 29.327 32.453 -3.126 25437 2785 1 5 . 1 1 63 63 LYS H H 63 8.405 8.405 8.326 0.079 25437 2786 1 5 . 1 1 65 65 LYS N N 65 125.418 125.418 119.391 6.027 25437 2787 1 5 . 1 1 65 65 LYS HA H 65 4.146 4.146 4.537 -0.391 25437 2788 1 5 . 1 1 65 65 LYS CA C 65 63.350 63.350 58.510 4.840 25437 2789 1 5 . 1 1 65 65 LYS CB C 65 31.891 31.891 32.869 -0.978 25437 2790 1 5 . 1 1 65 65 LYS H H 65 8.369 8.369 8.810 -0.441 25437 2791 1 5 . 1 1 66 66 HIS N N 66 121.236 121.236 120.818 0.418 25437 2792 1 5 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.458 0.087 25437 2793 1 5 . 1 1 66 66 HIS CA C 66 59.256 59.256 60.159 -0.903 25437 2794 1 5 . 1 1 66 66 HIS CB C 66 28.619 28.619 29.388 -0.769 25437 2795 1 5 . 1 1 66 66 HIS H H 66 8.758 8.758 8.609 0.149 25437 2796 1 5 . 1 1 67 67 ILE N N 67 120.137 120.137 116.104 4.033 25437 2797 1 5 . 1 1 67 67 ILE HA H 67 4.372 4.372 4.009 0.363 25437 2798 1 5 . 1 1 67 67 ILE CA C 67 63.961 63.961 63.480 0.481 25437 2799 1 5 . 1 1 67 67 ILE CB C 67 37.935 37.935 37.754 0.181 25437 2800 1 5 . 1 1 67 67 ILE H H 67 7.849 7.849 8.432 -0.583 25437 2801 1 5 . 1 1 68 68 THR N N 68 104.067 104.067 108.097 -4.030 25437 2802 1 5 . 1 1 68 68 THR HA H 68 4.397 4.397 4.431 -0.034 25437 2803 1 5 . 1 1 68 68 THR CA C 68 61.343 61.343 61.337 0.006 25437 2804 1 5 . 1 1 68 68 THR CB C 68 68.473 68.473 70.011 -1.538 25437 2805 1 5 . 1 1 68 68 THR H H 68 7.168 7.168 7.579 -0.411 25437 2806 1 5 . 1 1 69 69 GLY N N 69 107.308 107.308 110.940 -3.632 25437 2807 1 5 . 1 1 69 69 GLY CA C 69 46.665 46.665 46.389 0.276 25437 2808 1 5 . 1 1 69 69 GLY H H 69 7.169 7.169 7.896 -0.727 25437 2809 1 5 . 1 1 70 70 ASP N N 70 114.629 114.629 119.634 -5.005 25437 2810 1 5 . 1 1 70 70 ASP HA H 70 4.734 4.734 4.765 -0.031 25437 2811 1 5 . 1 1 70 70 ASP CA C 70 54.627 54.627 53.663 0.964 25437 2812 1 5 . 1 1 70 70 ASP CB C 70 44.451 44.451 40.526 3.925 25437 2813 1 5 . 1 1 70 70 ASP H H 70 7.644 7.644 8.327 -0.683 25437 2814 1 5 . 1 1 71 71 ALA N N 71 118.917 118.917 118.382 0.535 25437 2815 1 5 . 1 1 71 71 ALA HA H 71 5.062 5.062 4.823 0.239 25437 2816 1 5 . 1 1 71 71 ALA CA C 71 51.498 51.498 51.500 -0.002 25437 2817 1 5 . 1 1 71 71 ALA CB C 71 21.994 21.994 21.517 0.477 25437 2818 1 5 . 1 1 71 71 ALA H H 71 7.529 7.529 7.383 0.146 25437 2819 1 5 . 1 1 72 72 ILE N N 72 110.818 110.818 113.171 -2.353 25437 2820 1 5 . 1 1 72 72 ILE HA H 72 5.249 5.249 4.600 0.649 25437 2821 1 5 . 1 1 72 72 ILE CA C 72 58.821 58.821 60.492 -1.671 25437 2822 1 5 . 1 1 72 72 ILE CB C 72 43.709 43.709 42.104 1.605 25437 2823 1 5 . 1 1 72 72 ILE H H 72 8.449 8.449 8.806 -0.357 25437 2824 1 5 . 1 1 73 73 ASP N N 73 117.790 117.790 121.066 -3.276 25437 2825 1 5 . 1 1 73 73 ASP HA H 73 6.094 6.094 5.475 0.619 25437 2826 1 5 . 1 1 73 73 ASP CA C 73 52.090 52.090 53.287 -1.197 25437 2827 1 5 . 1 1 73 73 ASP CB C 73 42.655 42.655 45.294 -2.639 25437 2828 1 5 . 1 1 73 73 ASP H H 73 8.442 8.442 8.987 -0.545 25437 2829 1 5 . 1 1 74 74 PHE N N 74 122.479 122.479 120.844 1.635 25437 2830 1 5 . 1 1 74 74 PHE HA H 74 6.173 6.173 5.581 0.592 25437 2831 1 5 . 1 1 74 74 PHE CA C 74 54.775 54.775 55.965 -1.190 25437 2832 1 5 . 1 1 74 74 PHE CB C 74 44.115 44.115 42.855 1.260 25437 2833 1 5 . 1 1 74 74 PHE H H 74 9.463 9.463 9.142 0.321 25437 2834 1 5 . 1 1 75 75 ALA N N 75 118.862 118.862 121.189 -2.327 25437 2835 1 5 . 1 1 75 75 ALA HA H 75 4.453 4.453 4.360 0.093 25437 2836 1 5 . 1 1 75 75 ALA CA C 75 50.134 50.134 49.073 1.061 25437 2837 1 5 . 1 1 75 75 ALA CB C 75 21.020 21.020 21.125 -0.105 25437 2838 1 5 . 1 1 75 75 ALA H H 75 8.575 8.575 9.376 -0.801 25437 2839 1 5 . 1 1 76 76 PRO HA H 76 4.466 4.466 4.790 -0.324 25437 2840 1 5 . 1 1 76 76 PRO CA C 76 62.353 62.353 62.943 -0.590 25437 2841 1 5 . 1 1 76 76 PRO CB C 76 32.135 32.135 31.260 0.875 25437 2842 1 5 . 1 1 77 77 TYR N N 77 126.211 126.211 126.175 0.036 25437 2843 1 5 . 1 1 77 77 TYR HA H 77 4.835 4.835 4.604 0.231 25437 2844 1 5 . 1 1 77 77 TYR CA C 77 56.830 56.830 59.066 -2.236 25437 2845 1 5 . 1 1 77 77 TYR CB C 77 40.384 40.384 40.395 -0.011 25437 2846 1 5 . 1 1 77 77 TYR H H 77 8.357 8.357 8.485 -0.128 25437 2847 1 5 . 1 1 78 78 ILE N N 78 124.613 124.613 125.494 -0.881 25437 2848 1 5 . 1 1 78 78 ILE HA H 78 4.210 4.210 4.279 -0.069 25437 2849 1 5 . 1 1 78 78 ILE CA C 78 59.941 59.941 60.587 -0.645 25437 2850 1 5 . 1 1 78 78 ILE CB C 78 40.652 40.652 41.622 -0.970 25437 2851 1 5 . 1 1 78 78 ILE H H 78 8.334 8.334 8.961 -0.627 25437 2852 1 5 . 1 1 79 79 ASN N N 79 126.361 126.361 125.757 0.604 25437 2853 1 5 . 1 1 79 79 ASN HA H 79 4.339 4.339 4.440 -0.101 25437 2854 1 5 . 1 1 79 79 ASN CA C 79 53.937 53.937 53.662 0.275 25437 2855 1 5 . 1 1 79 79 ASN CB C 79 36.887 36.887 37.816 -0.930 25437 2856 1 5 . 1 1 79 79 ASN H H 79 9.444 9.444 9.171 0.273 25437 2857 1 5 . 1 1 80 80 GLY N N 80 102.068 102.068 102.071 -0.003 25437 2858 1 5 . 1 1 80 80 GLY CA C 80 45.663 45.663 45.603 0.060 25437 2859 1 5 . 1 1 80 80 GLY H H 80 8.240 8.240 8.881 -0.641 25437 2860 1 5 . 1 1 81 81 LYS N N 81 117.260 117.260 116.263 0.997 25437 2861 1 5 . 1 1 81 81 LYS HA H 81 4.534 4.534 4.360 0.174 25437 2862 1 5 . 1 1 81 81 LYS CA C 81 54.226 54.226 53.699 0.527 25437 2863 1 5 . 1 1 81 81 LYS CB C 81 35.655 35.655 35.111 0.544 25437 2864 1 5 . 1 1 81 81 LYS H H 81 7.046 7.046 7.412 -0.366 25437 2865 1 5 . 1 1 82 82 ILE N N 82 122.347 122.347 120.269 2.078 25437 2866 1 5 . 1 1 82 82 ILE HA H 82 4.091 4.091 3.368 0.723 25437 2867 1 5 . 1 1 82 82 ILE CA C 82 62.621 62.621 62.176 0.445 25437 2868 1 5 . 1 1 82 82 ILE CB C 82 37.833 37.833 37.736 0.097 25437 2869 1 5 . 1 1 82 82 ILE H H 82 8.418 8.418 8.229 0.189 25437 2870 1 5 . 1 1 83 83 ASP N N 83 128.498 128.498 126.873 1.625 25437 2871 1 5 . 1 1 83 83 ASP HA H 83 4.808 4.808 4.678 0.130 25437 2872 1 5 . 1 1 83 83 ASP CA C 83 51.619 51.619 53.002 -1.383 25437 2873 1 5 . 1 1 83 83 ASP CB C 83 41.079 41.079 40.448 0.631 25437 2874 1 5 . 1 1 83 83 ASP H H 83 8.028 8.028 8.206 -0.178 25437 2875 1 5 . 1 1 84 84 TRP N N 84 121.807 121.807 124.020 -2.213 25437 2876 1 5 . 1 1 84 84 TRP HA H 84 4.574 4.574 4.503 0.071 25437 2877 1 5 . 1 1 84 84 TRP CA C 84 58.456 58.456 57.805 0.651 25437 2878 1 5 . 1 1 84 84 TRP CB C 84 30.177 30.177 30.892 -0.715 25437 2879 1 5 . 1 1 84 84 TRP H H 84 8.081 8.081 7.959 0.122 25437 2880 1 5 . 1 1 85 85 ASN N N 85 113.227 113.227 115.364 -2.137 25437 2881 1 5 . 1 1 85 85 ASN HA H 85 4.975 4.975 4.683 0.292 25437 2882 1 5 . 1 1 85 85 ASN CA C 85 53.430 53.430 53.453 -0.023 25437 2883 1 5 . 1 1 85 85 ASN CB C 85 40.162 40.162 38.848 1.314 25437 2884 1 5 . 1 1 85 85 ASN H H 85 8.386 8.386 8.261 0.125 25437 2885 1 5 . 1 1 86 86 ASP N N 86 118.821 118.821 122.635 -3.814 25437 2886 1 5 . 1 1 86 86 ASP HA H 86 4.813 4.813 4.798 0.015 25437 2887 1 5 . 1 1 86 86 ASP CA C 86 52.255 52.255 54.505 -2.250 25437 2888 1 5 . 1 1 86 86 ASP CB C 86 37.613 37.613 40.314 -2.701 25437 2889 1 5 . 1 1 86 86 ASP H H 86 7.405 7.405 8.165 -0.760 25437 2890 1 5 . 1 1 87 87 LEU N N 87 127.177 127.177 122.338 4.839 25437 2891 1 5 . 1 1 87 87 LEU HA H 87 4.055 4.055 4.344 -0.289 25437 2892 1 5 . 1 1 87 87 LEU CA C 87 58.321 58.321 57.156 1.165 25437 2893 1 5 . 1 1 87 87 LEU CB C 87 40.887 40.887 41.803 -0.916 25437 2894 1 5 . 1 1 87 87 LEU H H 87 8.274 8.274 7.821 0.453 25437 2895 1 5 . 1 1 88 88 GLU N N 88 114.132 114.132 120.594 -6.462 25437 2896 1 5 . 1 1 88 88 GLU HA H 88 3.938 3.938 3.990 -0.052 25437 2897 1 5 . 1 1 88 88 GLU CA C 88 59.437 59.437 59.473 -0.036 25437 2898 1 5 . 1 1 88 88 GLU CB C 88 27.987 27.987 29.229 -1.242 25437 2899 1 5 . 1 1 88 88 GLU H H 88 8.257 8.257 8.494 -0.237 25437 2900 1 5 . 1 1 89 89 ALA N N 89 122.075 122.075 121.818 0.257 25437 2901 1 5 . 1 1 89 89 ALA HA H 89 3.799 3.799 4.263 -0.464 25437 2902 1 5 . 1 1 89 89 ALA CA C 89 54.703 54.703 54.674 0.029 25437 2903 1 5 . 1 1 89 89 ALA CB C 89 17.635 17.635 18.020 -0.385 25437 2904 1 5 . 1 1 89 89 ALA H H 89 7.418 7.418 7.889 -0.471 25437 2905 1 5 . 1 1 90 90 PHE N N 90 116.551 116.551 119.226 -2.675 25437 2906 1 5 . 1 1 90 90 PHE HA H 90 4.025 4.025 4.285 -0.260 25437 2907 1 5 . 1 1 90 90 PHE CA C 90 64.150 64.150 59.310 4.840 25437 2908 1 5 . 1 1 90 90 PHE CB C 90 38.965 38.965 38.884 0.081 25437 2909 1 5 . 1 1 90 90 PHE H H 90 7.777 7.777 7.753 0.024 25437 2910 1 5 . 1 1 91 91 TRP N N 91 119.390 119.390 120.401 -1.011 25437 2911 1 5 . 1 1 91 91 TRP HA H 91 4.578 4.578 4.131 0.447 25437 2912 1 5 . 1 1 91 91 TRP CA C 91 59.217 59.217 60.411 -1.194 25437 2913 1 5 . 1 1 91 91 TRP CB C 91 29.802 29.802 29.529 0.273 25437 2914 1 5 . 1 1 91 91 TRP H H 91 7.821 7.821 7.932 -0.111 25437 2915 1 5 . 1 1 92 92 ALA N N 92 121.275 121.275 121.491 -0.216 25437 2916 1 5 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.272 -0.148 25437 2917 1 5 . 1 1 92 92 ALA CA C 92 55.229 55.229 54.733 0.496 25437 2918 1 5 . 1 1 92 92 ALA CB C 92 18.870 18.870 18.675 0.195 25437 2919 1 5 . 1 1 92 92 ALA H H 92 8.242 8.242 8.044 0.198 25437 2920 1 5 . 1 1 93 93 VAL N N 93 120.454 120.454 119.112 1.342 25437 2921 1 5 . 1 1 93 93 VAL HA H 93 3.600 3.600 3.710 -0.110 25437 2922 1 5 . 1 1 93 93 VAL CA C 93 66.424 66.424 66.256 0.168 25437 2923 1 5 . 1 1 93 93 VAL CB C 93 30.676 30.676 32.124 -1.448 25437 2924 1 5 . 1 1 93 93 VAL H H 93 8.259 8.259 7.557 0.702 25437 2925 1 5 . 1 1 94 94 LYS N N 94 122.098 122.098 119.490 2.608 25437 2926 1 5 . 1 1 94 94 LYS HA H 94 3.690 3.690 3.677 0.013 25437 2927 1 5 . 1 1 94 94 LYS CA C 94 60.959 60.959 59.088 1.871 25437 2928 1 5 . 1 1 94 94 LYS CB C 94 31.484 31.484 31.145 0.339 25437 2929 1 5 . 1 1 94 94 LYS H H 94 8.382 8.382 7.741 0.641 25437 2930 1 5 . 1 1 95 95 LYS N N 95 118.030 118.030 118.554 -0.524 25437 2931 1 5 . 1 1 95 95 LYS HA H 95 3.958 3.958 4.425 -0.467 25437 2932 1 5 . 1 1 95 95 LYS CA C 95 59.212 59.212 58.828 0.384 25437 2933 1 5 . 1 1 95 95 LYS CB C 95 31.219 31.219 32.104 -0.885 25437 2934 1 5 . 1 1 95 95 LYS H H 95 7.957 7.957 7.457 0.500 25437 2935 1 5 . 1 1 96 96 ALA N N 96 124.359 124.359 122.055 2.304 25437 2936 1 5 . 1 1 96 96 ALA HA H 96 4.229 4.229 4.232 -0.003 25437 2937 1 5 . 1 1 96 96 ALA CA C 96 55.422 55.422 54.655 0.767 25437 2938 1 5 . 1 1 96 96 ALA CB C 96 17.148 17.148 18.268 -1.120 25437 2939 1 5 . 1 1 96 96 ALA H H 96 7.668 7.668 7.909 -0.241 25437 2940 1 5 . 1 1 97 97 PHE N N 97 117.446 117.446 118.468 -1.022 25437 2941 1 5 . 1 1 97 97 PHE HA H 97 3.883 3.883 4.140 -0.257 25437 2942 1 5 . 1 1 97 97 PHE CA C 97 63.187 63.187 62.566 0.621 25437 2943 1 5 . 1 1 97 97 PHE CB C 97 40.401 40.401 39.331 1.070 25437 2944 1 5 . 1 1 97 97 PHE H H 97 8.369 8.369 7.895 0.474 25437 2945 1 5 . 1 1 98 98 GLU N N 98 119.148 119.148 118.138 1.010 25437 2946 1 5 . 1 1 98 98 GLU HA H 98 4.140 4.140 4.047 0.093 25437 2947 1 5 . 1 1 98 98 GLU CA C 98 59.610 59.610 58.792 0.818 25437 2948 1 5 . 1 1 98 98 GLU CB C 98 29.444 29.444 29.051 0.393 25437 2949 1 5 . 1 1 98 98 GLU H H 98 8.821 8.821 8.059 0.762 25437 2950 1 5 . 1 1 99 99 GLN N N 99 120.727 120.727 119.153 1.574 25437 2951 1 5 . 1 1 99 99 GLN HA H 99 4.061 4.061 4.164 -0.103 25437 2952 1 5 . 1 1 99 99 GLN CA C 99 59.130 59.130 58.095 1.035 25437 2953 1 5 . 1 1 99 99 GLN CB C 99 27.524 27.524 28.850 -1.326 25437 2954 1 5 . 1 1 99 99 GLN H H 99 8.436 8.436 7.640 0.796 25437 2955 1 5 . 1 1 100 100 ALA N N 100 122.603 122.603 122.513 0.090 25437 2956 1 5 . 1 1 100 100 ALA HA H 100 3.886 3.886 4.103 -0.217 25437 2957 1 5 . 1 1 100 100 ALA CA C 100 55.399 55.399 55.000 0.399 25437 2958 1 5 . 1 1 100 100 ALA CB C 100 19.472 19.472 18.173 1.299 25437 2959 1 5 . 1 1 100 100 ALA H H 100 8.433 8.433 8.341 0.092 25437 2960 1 5 . 1 1 101 101 GLY N N 101 104.253 104.253 105.378 -1.125 25437 2961 1 5 . 1 1 101 101 GLY CA C 101 47.843 47.843 46.651 1.192 25437 2962 1 5 . 1 1 101 101 GLY H H 101 9.035 9.035 7.959 1.076 25437 2963 1 5 . 1 1 102 102 LYS N N 102 121.912 121.912 121.576 0.336 25437 2964 1 5 . 1 1 102 102 LYS HA H 102 4.116 4.116 4.017 0.099 25437 2965 1 5 . 1 1 102 102 LYS CA C 102 59.314 59.314 59.488 -0.174 25437 2966 1 5 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.494 -0.315 25437 2967 1 5 . 1 1 102 102 LYS H H 102 7.928 7.928 7.490 0.438 25437 2968 1 5 . 1 1 103 103 GLU N N 103 119.382 119.382 118.559 0.823 25437 2969 1 5 . 1 1 103 103 GLU HA H 103 3.989 3.989 4.163 -0.174 25437 2970 1 5 . 1 1 103 103 GLU CA C 103 59.093 59.093 58.160 0.933 25437 2971 1 5 . 1 1 103 103 GLU CB C 103 30.127 30.127 29.546 0.581 25437 2972 1 5 . 1 1 103 103 GLU H H 103 8.406 8.406 7.644 0.762 25437 2973 1 5 . 1 1 104 104 LEU N N 104 115.551 115.551 118.884 -3.333 25437 2974 1 5 . 1 1 104 104 LEU HA H 104 4.360 4.360 4.079 0.281 25437 2975 1 5 . 1 1 104 104 LEU CA C 104 55.185 55.185 55.877 -0.692 25437 2976 1 5 . 1 1 104 104 LEU CB C 104 43.105 43.105 42.161 0.944 25437 2977 1 5 . 1 1 104 104 LEU H H 104 7.999 7.999 8.357 -0.358 25437 2978 1 5 . 1 1 105 105 GLY N N 105 110.561 110.561 104.671 5.890 25437 2979 1 5 . 1 1 105 105 GLY CA C 105 46.480 46.480 45.346 1.134 25437 2980 1 5 . 1 1 105 105 GLY H H 105 7.898 7.898 7.452 0.446 25437 2981 1 5 . 1 1 106 106 ILE N N 106 121.745 121.745 122.132 -0.387 25437 2982 1 5 . 1 1 106 106 ILE HA H 106 4.227 4.227 4.017 0.210 25437 2983 1 5 . 1 1 106 106 ILE CA C 106 59.717 59.717 61.176 -1.459 25437 2984 1 5 . 1 1 106 106 ILE CB C 106 41.096 41.096 38.861 2.235 25437 2985 1 5 . 1 1 106 106 ILE H H 106 8.428 8.428 7.697 0.731 25437 2986 1 5 . 1 1 107 107 LYS N N 107 127.736 127.736 126.787 0.949 25437 2987 1 5 . 1 1 107 107 LYS HA H 107 4.275 4.275 4.143 0.132 25437 2988 1 5 . 1 1 107 107 LYS CA C 107 57.224 57.224 57.256 -0.032 25437 2989 1 5 . 1 1 107 107 LYS CB C 107 32.752 32.752 32.715 0.037 25437 2990 1 5 . 1 1 107 107 LYS H H 107 8.489 8.489 8.549 -0.060 25437 2991 1 5 . 1 1 108 108 LEU N N 108 122.881 122.881 123.564 -0.683 25437 2992 1 5 . 1 1 108 108 LEU HA H 108 5.235 5.235 4.652 0.583 25437 2993 1 5 . 1 1 108 108 LEU CA C 108 53.287 53.287 54.570 -1.283 25437 2994 1 5 . 1 1 108 108 LEU CB C 108 47.016 47.016 44.340 2.676 25437 2995 1 5 . 1 1 108 108 LEU H H 108 8.049 8.049 8.124 -0.075 25437 2996 1 5 . 1 1 109 109 ARG N N 109 120.726 120.726 123.408 -2.682 25437 2997 1 5 . 1 1 109 109 ARG HA H 109 4.438 4.438 4.078 0.360 25437 2998 1 5 . 1 1 109 109 ARG CA C 109 55.193 55.193 55.132 0.061 25437 2999 1 5 . 1 1 109 109 ARG CB C 109 33.519 33.519 34.964 -1.445 25437 3000 1 5 . 1 1 109 109 ARG H H 109 8.736 8.736 7.879 0.857 25437 3001 1 5 . 1 1 110 110 PHE N N 110 121.516 121.516 120.039 1.477 25437 3002 1 5 . 1 1 110 110 PHE HA H 110 5.303 5.303 4.963 0.340 25437 3003 1 5 . 1 1 110 110 PHE CA C 110 56.644 56.644 55.679 0.965 25437 3004 1 5 . 1 1 110 110 PHE CB C 110 40.602 40.602 39.033 1.569 25437 3005 1 5 . 1 1 110 110 PHE H H 110 8.707 8.707 8.176 0.531 25437 3006 1 5 . 1 1 111 111 GLY N N 111 108.992 108.992 112.156 -3.164 25437 3007 1 5 . 1 1 111 111 GLY CA C 111 45.604 45.604 45.160 0.444 25437 3008 1 5 . 1 1 111 111 GLY H H 111 7.819 7.819 8.559 -0.740 25437 3009 1 5 . 1 1 112 112 ALA N N 112 111.448 111.448 124.564 -13.116 25437 3010 1 5 . 1 1 112 112 ALA HA H 112 3.858 3.858 4.249 -0.391 25437 3011 1 5 . 1 1 112 112 ALA CA C 112 52.083 52.083 53.331 -1.248 25437 3012 1 5 . 1 1 112 112 ALA CB C 112 18.655 18.655 19.157 -0.502 25437 3013 1 5 . 1 1 112 112 ALA H H 112 7.945 7.945 8.349 -0.404 25437 3014 1 5 . 1 1 113 113 ASP N N 113 106.770 106.770 119.060 -12.290 25437 3015 1 5 . 1 1 113 113 ASP HA H 113 5.157 5.157 4.433 0.724 25437 3016 1 5 . 1 1 113 113 ASP CA C 113 52.285 52.285 55.085 -2.800 25437 3017 1 5 . 1 1 113 113 ASP CB C 113 41.465 41.465 40.340 1.125 25437 3018 1 5 . 1 1 113 113 ASP H H 113 7.000 7.000 8.122 -1.122 25437 3019 1 5 . 1 1 114 114 TRP N N 114 119.829 119.829 118.888 0.941 25437 3020 1 5 . 1 1 114 114 TRP HA H 114 4.184 4.184 4.458 -0.274 25437 3021 1 5 . 1 1 114 114 TRP CA C 114 61.455 61.455 59.017 2.438 25437 3022 1 5 . 1 1 114 114 TRP CB C 114 26.427 26.427 29.529 -3.102 25437 3023 1 5 . 1 1 114 114 TRP H H 114 7.589 7.589 7.591 -0.002 25437 3024 1 5 . 1 1 115 115 ASN N N 115 117.900 117.900 117.358 0.542 25437 3025 1 5 . 1 1 115 115 ASN HA H 115 4.548 4.548 4.560 -0.012 25437 3026 1 5 . 1 1 115 115 ASN CA C 115 55.955 55.955 55.933 0.022 25437 3027 1 5 . 1 1 115 115 ASN CB C 115 36.818 36.818 37.837 -1.019 25437 3028 1 5 . 1 1 115 115 ASN H H 115 9.503 9.503 8.139 1.364 25437 3029 1 5 . 1 1 116 116 ALA N N 116 123.758 123.758 121.377 2.381 25437 3030 1 5 . 1 1 116 116 ALA HA H 116 4.181 4.181 4.281 -0.100 25437 3031 1 5 . 1 1 116 116 ALA CA C 116 53.111 53.111 54.256 -1.145 25437 3032 1 5 . 1 1 116 116 ALA CB C 116 16.596 16.596 18.281 -1.685 25437 3033 1 5 . 1 1 116 116 ALA H H 116 8.079 8.079 8.052 0.027 25437 3034 1 5 . 1 1 117 117 SER N N 117 116.009 116.009 113.638 2.371 25437 3035 1 5 . 1 1 117 117 SER HA H 117 4.417 4.417 4.166 0.251 25437 3036 1 5 . 1 1 117 117 SER CA C 117 59.433 59.433 60.859 -1.426 25437 3037 1 5 . 1 1 117 117 SER CB C 117 65.026 65.026 63.442 1.584 25437 3038 1 5 . 1 1 117 117 SER H H 117 9.460 9.460 7.968 1.492 25437 3039 1 5 . 1 1 118 118 GLY N N 118 115.031 115.031 111.902 3.129 25437 3040 1 5 . 1 1 118 118 GLY CA C 118 45.197 45.197 45.703 -0.506 25437 3041 1 5 . 1 1 118 118 GLY H H 118 10.733 10.733 7.971 2.762 25437 3042 1 5 . 1 1 119 119 ASP N N 119 116.435 116.435 123.288 -6.853 25437 3043 1 5 . 1 1 119 119 ASP HA H 119 4.590 4.590 4.678 -0.088 25437 3044 1 5 . 1 1 119 119 ASP CA C 119 53.181 53.181 53.896 -0.715 25437 3045 1 5 . 1 1 119 119 ASP CB C 119 43.864 43.864 41.700 2.164 25437 3046 1 5 . 1 1 119 119 ASP H H 119 7.770 7.770 7.974 -0.204 25437 3047 1 5 . 1 1 120 120 TYR N N 120 120.253 120.253 121.851 -1.598 25437 3048 1 5 . 1 1 120 120 TYR HA H 120 6.088 6.088 4.601 1.487 25437 3049 1 5 . 1 1 120 120 TYR CA C 120 56.003 56.003 58.137 -2.134 25437 3050 1 5 . 1 1 120 120 TYR CB C 120 40.371 40.371 39.986 0.385 25437 3051 1 5 . 1 1 120 120 TYR H H 120 6.801 6.801 8.171 -1.370 25437 3052 1 5 . 1 1 121 121 HIS HA H 121 4.537 4.537 4.711 -0.174 25437 3053 1 5 . 1 1 121 121 HIS CA C 121 59.002 59.002 57.524 1.478 25437 3054 1 5 . 1 1 121 121 HIS CB C 121 27.950 27.950 30.048 -2.098 25437 3055 1 5 . 1 1 122 122 ASP N N 122 111.622 111.622 119.576 -7.954 25437 3056 1 5 . 1 1 122 122 ASP HA H 122 4.815 4.815 4.537 0.278 25437 3057 1 5 . 1 1 122 122 ASP CA C 122 51.612 51.612 54.712 -3.100 25437 3058 1 5 . 1 1 122 122 ASP CB C 122 36.980 36.980 40.802 -3.822 25437 3059 1 5 . 1 1 122 122 ASP H H 122 8.154 8.154 8.435 -0.281 25437 3060 1 5 . 1 1 124 124 ILE N N 124 119.763 119.763 117.631 2.132 25437 3061 1 5 . 1 1 124 124 ILE HA H 124 3.843 3.843 3.685 0.158 25437 3062 1 5 . 1 1 124 124 ILE CA C 124 64.714 64.714 63.853 0.861 25437 3063 1 5 . 1 1 124 124 ILE CB C 124 36.859 36.859 37.723 -0.864 25437 3064 1 5 . 1 1 124 124 ILE H H 124 7.639 7.639 8.304 -0.665 25437 3065 1 5 . 1 1 125 125 LYS N N 125 121.010 121.010 118.770 2.240 25437 3066 1 5 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.147 -0.038 25437 3067 1 5 . 1 1 125 125 LYS CA C 125 59.241 59.241 57.675 1.565 25437 3068 1 5 . 1 1 125 125 LYS CB C 125 31.985 31.985 31.632 0.353 25437 3069 1 5 . 1 1 125 125 LYS H H 125 7.739 7.739 8.133 -0.394 25437 3070 1 5 . 1 1 126 126 ARG N N 126 115.276 115.276 118.878 -3.602 25437 3071 1 5 . 1 1 126 126 ARG HA H 126 4.338 4.338 4.154 0.184 25437 3072 1 5 . 1 1 126 126 ARG CA C 126 57.189 57.189 56.776 0.412 25437 3073 1 5 . 1 1 126 126 ARG CB C 126 31.015 31.015 30.434 0.581 25437 3074 1 5 . 1 1 126 126 ARG H H 126 7.904 7.904 7.918 -0.014 25437 3075 1 5 . 1 1 127 127 GLY N N 127 107.767 107.767 107.250 0.517 25437 3076 1 5 . 1 1 127 127 GLY CA C 127 45.822 45.822 44.668 1.154 25437 3077 1 5 . 1 1 127 127 GLY H H 127 7.912 7.912 7.759 0.153 25437 3078 1 5 . 1 1 128 128 THR N N 128 107.570 107.570 112.794 -5.224 25437 3079 1 5 . 1 1 128 128 THR HA H 128 4.252 4.252 4.450 -0.198 25437 3080 1 5 . 1 1 128 128 THR CA C 128 60.620 60.620 60.083 0.537 25437 3081 1 5 . 1 1 128 128 THR CB C 128 69.224 69.224 70.473 -1.249 25437 3082 1 5 . 1 1 128 128 THR H H 128 8.121 8.121 7.341 0.780 25437 3083 1 5 . 1 1 129 129 TYR N N 129 123.143 123.143 120.811 2.332 25437 3084 1 5 . 1 1 129 129 TYR HA H 129 4.173 4.173 4.718 -0.545 25437 3085 1 5 . 1 1 129 129 TYR CA C 129 61.448 61.448 57.491 3.957 25437 3086 1 5 . 1 1 129 129 TYR CB C 129 38.796 38.796 38.397 0.400 25437 3087 1 5 . 1 1 129 129 TYR H H 129 7.209 7.209 8.724 -1.515 25437 3088 1 5 . 1 1 130 130 ASP N N 130 117.930 117.930 122.698 -4.768 25437 3089 1 5 . 1 1 130 130 ASP HA H 130 4.641 4.641 4.299 0.342 25437 3090 1 5 . 1 1 130 130 ASP CA C 130 53.440 53.440 57.401 -3.961 25437 3091 1 5 . 1 1 130 130 ASP CB C 130 43.221 43.221 40.565 2.656 25437 3092 1 5 . 1 1 130 130 ASP H H 130 8.216 8.216 7.656 0.560 25437 3093 1 5 . 1 1 132 132 GLY N N 132 107.481 107.481 108.503 -1.022 25437 3094 1 5 . 1 1 132 132 GLY CA C 132 44.013 44.013 44.123 -0.110 25437 3095 1 5 . 1 1 132 132 GLY H H 132 8.304 8.304 7.117 1.187 25437 3096 1 5 . 1 1 133 133 HIS N N 133 117.609 117.609 121.955 -4.346 25437 3097 1 5 . 1 1 133 133 HIS HA H 133 5.430 5.430 4.478 0.952 25437 3098 1 5 . 1 1 133 133 HIS CA C 133 57.155 57.155 57.242 -0.088 25437 3099 1 5 . 1 1 133 133 HIS CB C 133 31.667 31.667 29.792 1.875 25437 3100 1 5 . 1 1 133 133 HIS H H 133 6.942 6.942 7.309 -0.367 25437 3101 1 5 . 1 1 134 134 VAL N N 134 133.201 133.201 121.412 11.789 25437 3102 1 5 . 1 1 134 134 VAL HA H 134 4.254 4.254 4.743 -0.489 25437 3103 1 5 . 1 1 134 134 VAL CA C 134 61.676 61.676 60.077 1.599 25437 3104 1 5 . 1 1 134 134 VAL CB C 134 34.775 34.775 33.417 1.358 25437 3105 1 5 . 1 1 134 134 VAL H H 134 9.127 9.127 8.119 1.008 25437 3106 1 5 . 1 1 135 135 GLU N N 135 119.904 119.904 124.344 -4.440 25437 3107 1 5 . 1 1 135 135 GLU HA H 135 5.458 5.458 4.766 0.692 25437 3108 1 5 . 1 1 135 135 GLU CA C 135 52.126 52.126 53.531 -1.405 25437 3109 1 5 . 1 1 135 135 GLU CB C 135 34.550 34.550 33.677 0.873 25437 3110 1 5 . 1 1 135 135 GLU H H 135 8.501 8.501 7.997 0.504 25437 3111 1 5 . 1 1 136 136 LEU N N 136 119.357 119.357 121.627 -2.270 25437 3112 1 5 . 1 1 136 136 LEU HA H 136 4.432 4.432 4.501 -0.069 25437 3113 1 5 . 1 1 136 136 LEU CA C 136 54.772 54.772 54.498 0.274 25437 3114 1 5 . 1 1 136 136 LEU CB C 136 42.524 42.524 43.521 -0.997 25437 3115 1 5 . 1 1 136 136 LEU H H 136 8.280 8.280 8.103 0.177 25437 3116 1 6 . 1 1 3 3 PHE N N 3 121.785 121.785 122.588 -0.803 25437 3117 1 6 . 1 1 3 3 PHE HA H 3 4.792 4.792 4.129 0.663 25437 3118 1 6 . 1 1 3 3 PHE CA C 3 56.407 56.407 58.941 -2.534 25437 3119 1 6 . 1 1 3 3 PHE CB C 3 40.111 40.111 39.428 0.683 25437 3120 1 6 . 1 1 3 3 PHE H H 3 8.534 8.534 7.869 0.665 25437 3121 1 6 . 1 1 4 4 LYS N N 4 119.409 119.409 124.103 -4.694 25437 3122 1 6 . 1 1 4 4 LYS HA H 4 4.452 4.452 4.082 0.370 25437 3123 1 6 . 1 1 4 4 LYS CA C 4 54.774 54.774 53.946 0.828 25437 3124 1 6 . 1 1 4 4 LYS CB C 4 35.710 35.710 34.828 0.882 25437 3125 1 6 . 1 1 4 4 LYS H H 4 8.367 8.367 7.521 0.846 25437 3126 1 6 . 1 1 5 5 PHE N N 5 124.495 124.495 120.896 3.599 25437 3127 1 6 . 1 1 5 5 PHE HA H 5 4.873 4.873 4.461 0.412 25437 3128 1 6 . 1 1 5 5 PHE CA C 5 58.636 58.636 57.512 1.124 25437 3129 1 6 . 1 1 5 5 PHE CB C 5 39.217 39.217 38.044 1.173 25437 3130 1 6 . 1 1 5 5 PHE H H 5 8.603 8.603 7.881 0.722 25437 3131 1 6 . 1 1 6 6 GLY N N 6 108.622 108.622 112.074 -3.452 25437 3132 1 6 . 1 1 6 6 GLY CA C 6 43.819 43.819 44.660 -0.841 25437 3133 1 6 . 1 1 6 6 GLY H H 6 8.559 8.559 8.184 0.375 25437 3134 1 6 . 1 1 7 7 LYS N N 7 119.341 119.341 121.116 -1.775 25437 3135 1 6 . 1 1 7 7 LYS HA H 7 3.958 3.958 3.974 -0.016 25437 3136 1 6 . 1 1 7 7 LYS CA C 7 60.087 60.087 59.803 0.284 25437 3137 1 6 . 1 1 7 7 LYS CB C 7 32.399 32.399 32.459 -0.060 25437 3138 1 6 . 1 1 7 7 LYS H H 7 8.692 8.692 8.698 -0.006 25437 3139 1 6 . 1 1 8 8 ASN N N 8 118.555 118.555 115.439 3.116 25437 3140 1 6 . 1 1 8 8 ASN HA H 8 4.551 4.551 4.622 -0.071 25437 3141 1 6 . 1 1 8 8 ASN CA C 8 56.776 56.776 55.672 1.104 25437 3142 1 6 . 1 1 8 8 ASN CB C 8 36.961 36.961 37.791 -0.830 25437 3143 1 6 . 1 1 8 8 ASN H H 8 9.185 9.185 8.519 0.666 25437 3144 1 6 . 1 1 9 9 SER N N 9 118.632 118.632 117.650 0.982 25437 3145 1 6 . 1 1 9 9 SER HA H 9 4.283 4.283 4.114 0.169 25437 3146 1 6 . 1 1 9 9 SER CA C 9 62.790 62.790 61.730 1.060 25437 3147 1 6 . 1 1 9 9 SER CB C 9 62.790 62.790 62.478 0.312 25437 3148 1 6 . 1 1 9 9 SER H H 9 8.076 8.076 7.905 0.171 25437 3149 1 6 . 1 1 10 10 GLU N N 10 120.882 120.882 120.797 0.085 25437 3150 1 6 . 1 1 10 10 GLU HA H 10 3.977 3.977 4.032 -0.055 25437 3151 1 6 . 1 1 10 10 GLU CA C 10 59.409 59.409 59.157 0.252 25437 3152 1 6 . 1 1 10 10 GLU CB C 10 28.556 28.556 29.289 -0.733 25437 3153 1 6 . 1 1 10 10 GLU H H 10 8.351 8.351 8.517 -0.166 25437 3154 1 6 . 1 1 11 11 LYS N N 11 120.030 120.030 118.444 1.586 25437 3155 1 6 . 1 1 11 11 LYS HA H 11 4.056 4.056 4.144 -0.088 25437 3156 1 6 . 1 1 11 11 LYS CA C 11 59.477 59.477 58.442 1.035 25437 3157 1 6 . 1 1 11 11 LYS CB C 11 32.032 32.032 31.776 0.256 25437 3158 1 6 . 1 1 11 11 LYS H H 11 7.937 7.937 7.542 0.395 25437 3159 1 6 . 1 1 12 12 GLN N N 12 114.749 114.749 119.411 -4.662 25437 3160 1 6 . 1 1 12 12 GLN HA H 12 4.147 4.147 4.125 0.022 25437 3161 1 6 . 1 1 12 12 GLN CA C 12 57.373 57.373 58.623 -1.250 25437 3162 1 6 . 1 1 12 12 GLN CB C 12 28.511 28.511 28.936 -0.425 25437 3163 1 6 . 1 1 12 12 GLN H H 12 7.562 7.562 7.920 -0.358 25437 3164 1 6 . 1 1 13 13 LEU N N 13 121.751 121.751 118.634 3.117 25437 3165 1 6 . 1 1 13 13 LEU HA H 13 3.880 3.880 4.252 -0.372 25437 3166 1 6 . 1 1 13 13 LEU CA C 13 57.080 57.080 56.338 0.742 25437 3167 1 6 . 1 1 13 13 LEU CB C 13 42.413 42.413 40.529 1.884 25437 3168 1 6 . 1 1 13 13 LEU H H 13 8.725 8.725 8.189 0.536 25437 3169 1 6 . 1 1 14 14 ALA N N 14 116.323 116.323 119.887 -3.564 25437 3170 1 6 . 1 1 14 14 ALA HA H 14 4.070 4.070 4.252 -0.182 25437 3171 1 6 . 1 1 14 14 ALA CA C 14 53.706 53.706 53.829 -0.123 25437 3172 1 6 . 1 1 14 14 ALA CB C 14 18.020 18.020 18.920 -0.900 25437 3173 1 6 . 1 1 14 14 ALA H H 14 7.574 7.574 7.537 0.037 25437 3174 1 6 . 1 1 15 15 THR N N 15 104.034 104.034 109.529 -5.495 25437 3175 1 6 . 1 1 15 15 THR HA H 15 4.431 4.431 4.391 0.040 25437 3176 1 6 . 1 1 15 15 THR CA C 15 62.381 62.381 61.534 0.847 25437 3177 1 6 . 1 1 15 15 THR CB C 15 70.327 70.327 69.567 0.760 25437 3178 1 6 . 1 1 15 15 THR H H 15 7.326 7.326 7.243 0.083 25437 3179 1 6 . 1 1 16 16 VAL N N 16 112.438 112.438 122.092 -9.654 25437 3180 1 6 . 1 1 16 16 VAL HA H 16 4.922 4.922 3.919 1.003 25437 3181 1 6 . 1 1 16 16 VAL CA C 16 59.661 59.661 62.698 -3.037 25437 3182 1 6 . 1 1 16 16 VAL CB C 16 32.989 32.989 32.656 0.333 25437 3183 1 6 . 1 1 16 16 VAL H H 16 7.164 7.164 7.322 -0.158 25437 3184 1 6 . 1 1 17 17 LYS N N 17 120.729 120.729 129.012 -8.283 25437 3185 1 6 . 1 1 17 17 LYS HA H 17 4.230 4.230 4.369 -0.139 25437 3186 1 6 . 1 1 17 17 LYS CA C 17 55.486 55.486 57.915 -2.429 25437 3187 1 6 . 1 1 17 17 LYS CB C 17 32.079 32.079 31.073 1.006 25437 3188 1 6 . 1 1 17 17 LYS H H 17 8.907 8.907 8.724 0.183 25437 3189 1 6 . 1 1 18 18 PRO HA H 18 4.130 4.130 4.476 -0.346 25437 3190 1 6 . 1 1 18 18 PRO CA C 18 65.813 65.813 62.992 2.821 25437 3191 1 6 . 1 1 18 18 PRO CB C 18 31.864 31.864 32.064 -0.200 25437 3192 1 6 . 1 1 19 19 GLU N N 19 117.608 117.608 117.937 -0.329 25437 3193 1 6 . 1 1 19 19 GLU HA H 19 4.011 4.011 4.423 -0.412 25437 3194 1 6 . 1 1 19 19 GLU CA C 19 61.031 61.031 56.491 4.540 25437 3195 1 6 . 1 1 19 19 GLU CB C 19 29.117 29.117 29.168 -0.051 25437 3196 1 6 . 1 1 19 19 GLU H H 19 9.714 9.714 8.691 1.023 25437 3197 1 6 . 1 1 20 20 LEU N N 20 117.938 117.938 118.664 -0.726 25437 3198 1 6 . 1 1 20 20 LEU HA H 20 4.258 4.258 3.970 0.288 25437 3199 1 6 . 1 1 20 20 LEU CA C 20 56.261 56.261 58.219 -1.958 25437 3200 1 6 . 1 1 20 20 LEU CB C 20 41.894 41.894 40.836 1.058 25437 3201 1 6 . 1 1 20 20 LEU H H 20 7.188 7.188 7.870 -0.682 25437 3202 1 6 . 1 1 21 21 GLN N N 21 118.367 118.367 118.523 -0.156 25437 3203 1 6 . 1 1 21 21 GLN HA H 21 3.831 3.831 3.941 -0.110 25437 3204 1 6 . 1 1 21 21 GLN CA C 21 60.100 60.100 58.651 1.449 25437 3205 1 6 . 1 1 21 21 GLN CB C 21 27.745 27.745 27.391 0.354 25437 3206 1 6 . 1 1 21 21 GLN H H 21 7.805 7.805 8.541 -0.736 25437 3207 1 6 . 1 1 22 22 LYS N N 22 116.715 116.715 119.894 -3.179 25437 3208 1 6 . 1 1 22 22 LYS HA H 22 3.962 3.962 3.946 0.016 25437 3209 1 6 . 1 1 22 22 LYS CA C 22 59.816 59.816 59.452 0.364 25437 3210 1 6 . 1 1 22 22 LYS CB C 22 32.520 32.520 32.019 0.501 25437 3211 1 6 . 1 1 22 22 LYS H H 22 8.143 8.143 7.845 0.298 25437 3212 1 6 . 1 1 23 23 VAL N N 23 118.397 118.397 119.278 -0.881 25437 3213 1 6 . 1 1 23 23 VAL HA H 23 3.591 3.591 3.504 0.087 25437 3214 1 6 . 1 1 23 23 VAL CA C 23 66.313 66.313 66.201 0.113 25437 3215 1 6 . 1 1 23 23 VAL CB C 23 31.529 31.529 31.199 0.330 25437 3216 1 6 . 1 1 23 23 VAL H H 23 7.715 7.715 7.531 0.184 25437 3217 1 6 . 1 1 24 24 ALA N N 24 121.929 121.929 121.844 0.085 25437 3218 1 6 . 1 1 24 24 ALA HA H 24 4.024 4.024 3.493 0.531 25437 3219 1 6 . 1 1 24 24 ALA CA C 24 55.444 55.444 55.317 0.127 25437 3220 1 6 . 1 1 24 24 ALA CB C 24 18.086 18.086 18.329 -0.243 25437 3221 1 6 . 1 1 24 24 ALA H H 24 8.307 8.307 7.335 0.972 25437 3222 1 6 . 1 1 25 25 ARG N N 25 114.491 114.491 119.174 -4.683 25437 3223 1 6 . 1 1 25 25 ARG HA H 25 4.114 4.114 4.161 -0.047 25437 3224 1 6 . 1 1 25 25 ARG CA C 25 60.717 60.717 59.721 0.996 25437 3225 1 6 . 1 1 25 25 ARG CB C 25 29.257 29.257 30.446 -1.189 25437 3226 1 6 . 1 1 25 25 ARG H H 25 8.224 8.224 8.231 -0.007 25437 3227 1 6 . 1 1 26 26 ARG N N 26 119.944 119.944 118.494 1.450 25437 3228 1 6 . 1 1 26 26 ARG HA H 26 4.223 4.223 4.003 0.220 25437 3229 1 6 . 1 1 26 26 ARG CA C 26 57.097 57.097 59.155 -2.058 25437 3230 1 6 . 1 1 26 26 ARG CB C 26 28.888 28.888 30.094 -1.206 25437 3231 1 6 . 1 1 26 26 ARG H H 26 7.703 7.703 8.130 -0.427 25437 3232 1 6 . 1 1 27 27 ALA N N 27 122.041 122.041 123.058 -1.017 25437 3233 1 6 . 1 1 27 27 ALA HA H 27 3.611 3.611 3.962 -0.351 25437 3234 1 6 . 1 1 27 27 ALA CA C 27 55.249 55.249 55.007 0.242 25437 3235 1 6 . 1 1 27 27 ALA CB C 27 15.829 15.829 17.792 -1.963 25437 3236 1 6 . 1 1 27 27 ALA H H 27 8.754 8.754 8.317 0.437 25437 3237 1 6 . 1 1 28 28 LEU N N 28 117.421 117.421 118.212 -0.791 25437 3238 1 6 . 1 1 28 28 LEU HA H 28 4.053 4.053 4.109 -0.056 25437 3239 1 6 . 1 1 28 28 LEU CA C 28 57.757 57.757 58.327 -0.570 25437 3240 1 6 . 1 1 28 28 LEU CB C 28 40.351 40.351 41.993 -1.642 25437 3241 1 6 . 1 1 28 28 LEU H H 28 7.657 7.657 8.011 -0.354 25437 3242 1 6 . 1 1 29 29 GLU N N 29 114.911 114.911 117.707 -2.796 25437 3243 1 6 . 1 1 29 29 GLU HA H 29 4.023 4.023 4.132 -0.109 25437 3244 1 6 . 1 1 29 29 GLU CA C 29 58.489 58.489 58.030 0.459 25437 3245 1 6 . 1 1 29 29 GLU CB C 29 29.540 29.540 30.095 -0.555 25437 3246 1 6 . 1 1 29 29 GLU H H 29 7.039 7.039 7.448 -0.409 25437 3247 1 6 . 1 1 30 30 LEU N N 30 117.166 117.166 119.143 -1.977 25437 3248 1 6 . 1 1 30 30 LEU HA H 30 4.281 4.281 3.996 0.285 25437 3249 1 6 . 1 1 30 30 LEU CA C 30 55.266 55.266 56.859 -1.593 25437 3250 1 6 . 1 1 30 30 LEU CB C 30 44.403 44.403 42.222 2.181 25437 3251 1 6 . 1 1 30 30 LEU H H 30 7.353 7.353 8.058 -0.705 25437 3252 1 6 . 1 1 31 31 SER N N 31 116.260 116.260 114.544 1.716 25437 3253 1 6 . 1 1 31 31 SER HA H 31 4.557 4.557 4.255 0.302 25437 3254 1 6 . 1 1 31 31 SER CA C 31 55.723 55.723 57.273 -1.550 25437 3255 1 6 . 1 1 31 31 SER CB C 31 65.560 65.560 64.242 1.318 25437 3256 1 6 . 1 1 31 31 SER H H 31 7.742 7.742 7.876 -0.134 25437 3257 1 6 . 1 1 32 32 PRO HA H 32 4.609 4.609 4.265 0.344 25437 3258 1 6 . 1 1 32 32 PRO CA C 32 63.483 63.483 64.073 -0.590 25437 3259 1 6 . 1 1 32 32 PRO CB C 32 31.236 31.236 31.582 -0.346 25437 3260 1 6 . 1 1 33 33 TYR N N 33 114.714 114.714 118.824 -4.110 25437 3261 1 6 . 1 1 33 33 TYR HA H 33 4.710 4.710 4.688 0.022 25437 3262 1 6 . 1 1 33 33 TYR CA C 33 56.742 56.742 54.608 2.134 25437 3263 1 6 . 1 1 33 33 TYR CB C 33 41.506 41.506 39.041 2.465 25437 3264 1 6 . 1 1 33 33 TYR H H 33 7.727 7.727 7.163 0.564 25437 3265 1 6 . 1 1 34 34 ASP N N 34 125.197 125.197 119.922 5.275 25437 3266 1 6 . 1 1 34 34 ASP HA H 34 3.524 3.524 4.541 -1.017 25437 3267 1 6 . 1 1 34 34 ASP CA C 34 52.353 52.353 54.608 -2.255 25437 3268 1 6 . 1 1 34 34 ASP CB C 34 37.720 37.720 41.744 -4.024 25437 3269 1 6 . 1 1 34 34 ASP H H 34 8.630 8.630 8.844 -0.214 25437 3270 1 6 . 1 1 35 35 PHE N N 35 115.803 115.803 112.867 2.936 25437 3271 1 6 . 1 1 35 35 PHE HA H 35 5.131 5.131 5.499 -0.368 25437 3272 1 6 . 1 1 35 35 PHE CA C 35 55.839 55.839 56.305 -0.466 25437 3273 1 6 . 1 1 35 35 PHE CB C 35 40.751 40.751 42.736 -1.985 25437 3274 1 6 . 1 1 35 35 PHE H H 35 7.250 7.250 8.091 -0.841 25437 3275 1 6 . 1 1 36 36 THR N N 36 113.338 113.338 117.199 -3.861 25437 3276 1 6 . 1 1 36 36 THR HA H 36 4.769 4.769 4.557 0.212 25437 3277 1 6 . 1 1 36 36 THR CA C 36 58.833 58.833 59.823 -0.990 25437 3278 1 6 . 1 1 36 36 THR CB C 36 71.387 71.387 70.094 1.293 25437 3279 1 6 . 1 1 36 36 THR H H 36 9.026 9.026 8.937 0.089 25437 3280 1 6 . 1 1 37 37 ILE N N 37 124.219 124.219 127.578 -3.359 25437 3281 1 6 . 1 1 37 37 ILE HA H 37 4.676 4.676 4.286 0.390 25437 3282 1 6 . 1 1 37 37 ILE CA C 37 58.395 58.395 62.276 -3.881 25437 3283 1 6 . 1 1 37 37 ILE CB C 37 34.649 34.649 37.904 -3.256 25437 3284 1 6 . 1 1 37 37 ILE H H 37 8.476 8.476 9.100 -0.624 25437 3285 1 6 . 1 1 38 38 VAL N N 38 124.271 124.271 126.276 -2.005 25437 3286 1 6 . 1 1 38 38 VAL HA H 38 3.981 3.981 4.215 -0.234 25437 3287 1 6 . 1 1 38 38 VAL CA C 38 63.144 63.144 63.683 -0.539 25437 3288 1 6 . 1 1 38 38 VAL CB C 38 32.658 32.658 33.138 -0.480 25437 3289 1 6 . 1 1 38 38 VAL H H 38 8.640 8.640 8.787 -0.147 25437 3290 1 6 . 1 1 39 39 GLN N N 39 115.210 115.210 116.222 -1.012 25437 3291 1 6 . 1 1 39 39 GLN HA H 39 4.378 4.378 4.964 -0.586 25437 3292 1 6 . 1 1 39 39 GLN CA C 39 56.197 56.197 55.066 1.131 25437 3293 1 6 . 1 1 39 39 GLN CB C 39 33.463 33.463 32.880 0.583 25437 3294 1 6 . 1 1 39 39 GLN H H 39 7.305 7.305 7.792 -0.487 25437 3295 1 6 . 1 1 40 40 GLY N N 40 116.022 116.022 110.033 5.989 25437 3296 1 6 . 1 1 40 40 GLY CA C 40 45.347 45.347 45.634 -0.287 25437 3297 1 6 . 1 1 40 40 GLY H H 40 8.851 8.851 8.550 0.301 25437 3298 1 6 . 1 1 41 41 ILE N N 41 132.358 132.358 121.030 11.328 25437 3299 1 6 . 1 1 41 41 ILE HA H 41 4.715 4.715 4.465 0.250 25437 3300 1 6 . 1 1 41 41 ILE CA C 41 61.575 61.575 59.154 2.421 25437 3301 1 6 . 1 1 41 41 ILE CB C 41 38.774 38.774 41.380 -2.606 25437 3302 1 6 . 1 1 41 41 ILE H H 41 8.776 8.776 8.038 0.738 25437 3303 1 6 . 1 1 42 42 ARG N N 42 123.358 123.358 128.744 -5.386 25437 3304 1 6 . 1 1 42 42 ARG HA H 42 4.725 4.725 4.603 0.122 25437 3305 1 6 . 1 1 42 42 ARG CA C 42 54.576 54.576 55.076 -0.500 25437 3306 1 6 . 1 1 42 42 ARG CB C 42 33.425 33.425 30.254 3.171 25437 3307 1 6 . 1 1 42 42 ARG H H 42 7.154 7.154 8.365 -1.211 25437 3308 1 6 . 1 1 43 43 THR N N 43 115.494 115.494 118.544 -3.050 25437 3309 1 6 . 1 1 43 43 THR HA H 43 4.539 4.539 4.390 0.149 25437 3310 1 6 . 1 1 43 43 THR CA C 43 61.022 61.022 61.063 -0.041 25437 3311 1 6 . 1 1 43 43 THR CB C 43 70.577 70.577 69.467 1.110 25437 3312 1 6 . 1 1 43 43 THR H H 43 8.519 8.519 8.432 0.087 25437 3313 1 6 . 1 1 44 44 VAL N N 44 121.526 121.526 114.779 6.747 25437 3314 1 6 . 1 1 44 44 VAL HA H 44 3.956 3.956 4.162 -0.206 25437 3315 1 6 . 1 1 44 44 VAL CA C 44 63.977 63.977 64.138 -0.161 25437 3316 1 6 . 1 1 44 44 VAL CB C 44 32.313 32.313 31.613 0.700 25437 3317 1 6 . 1 1 44 44 VAL H H 44 8.516 8.516 8.235 0.281 25437 3318 1 6 . 1 1 45 45 ALA N N 45 125.457 125.457 122.392 3.065 25437 3319 1 6 . 1 1 45 45 ALA HA H 45 4.260 4.260 4.376 -0.116 25437 3320 1 6 . 1 1 45 45 ALA CA C 45 53.278 53.278 53.342 -0.064 25437 3321 1 6 . 1 1 45 45 ALA CB C 45 18.641 18.641 19.342 -0.701 25437 3322 1 6 . 1 1 45 45 ALA H H 45 8.311 8.311 7.897 0.414 25437 3323 1 6 . 1 1 46 46 GLN N N 46 118.271 118.271 119.710 -1.439 25437 3324 1 6 . 1 1 46 46 GLN HA H 46 4.232 4.232 4.165 0.067 25437 3325 1 6 . 1 1 46 46 GLN CA C 46 56.717 56.717 58.767 -2.050 25437 3326 1 6 . 1 1 46 46 GLN CB C 46 28.901 28.901 28.451 0.450 25437 3327 1 6 . 1 1 46 46 GLN H H 46 8.109 8.109 8.467 -0.358 25437 3328 1 6 . 1 1 47 47 SER N N 47 116.127 116.127 114.810 1.317 25437 3329 1 6 . 1 1 47 47 SER HA H 47 4.361 4.361 4.128 0.233 25437 3330 1 6 . 1 1 47 47 SER CA C 47 59.082 59.082 61.155 -2.073 25437 3331 1 6 . 1 1 47 47 SER CB C 47 64.009 64.009 62.611 1.398 25437 3332 1 6 . 1 1 47 47 SER H H 47 8.199 8.199 7.919 0.280 25437 3333 1 6 . 1 1 48 48 ALA N N 48 124.628 124.628 123.502 1.126 25437 3334 1 6 . 1 1 48 48 ALA HA H 48 4.253 4.253 4.101 0.152 25437 3335 1 6 . 1 1 48 48 ALA CA C 48 53.325 53.325 54.160 -0.835 25437 3336 1 6 . 1 1 48 48 ALA CB C 48 18.552 18.552 18.899 -0.347 25437 3337 1 6 . 1 1 48 48 ALA H H 48 8.315 8.315 8.257 0.058 25437 3338 1 6 . 1 1 49 49 GLN N N 49 119.160 119.160 118.304 0.856 25437 3339 1 6 . 1 1 49 49 GLN HA H 49 4.232 4.232 4.080 0.152 25437 3340 1 6 . 1 1 49 49 GLN CA C 49 56.850 56.850 58.001 -1.151 25437 3341 1 6 . 1 1 49 49 GLN CB C 49 28.992 28.992 28.263 0.729 25437 3342 1 6 . 1 1 49 49 GLN H H 49 8.153 8.153 7.942 0.211 25437 3343 1 6 . 1 1 50 50 ASN N N 50 119.112 119.112 119.833 -0.721 25437 3344 1 6 . 1 1 50 50 ASN HA H 50 4.660 4.660 4.499 0.161 25437 3345 1 6 . 1 1 50 50 ASN CA C 50 53.572 53.572 56.192 -2.620 25437 3346 1 6 . 1 1 50 50 ASN CB C 50 38.376 38.376 38.799 -0.423 25437 3347 1 6 . 1 1 50 50 ASN H H 50 8.205 8.205 8.070 0.135 25437 3348 1 6 . 1 1 51 51 ILE N N 51 120.639 120.639 115.223 5.416 25437 3349 1 6 . 1 1 51 51 ILE HA H 51 4.095 4.095 4.385 -0.290 25437 3350 1 6 . 1 1 51 51 ILE CA C 51 61.954 61.954 59.044 2.910 25437 3351 1 6 . 1 1 51 51 ILE CB C 51 38.414 38.414 35.846 2.568 25437 3352 1 6 . 1 1 51 51 ILE H H 51 7.939 7.939 7.344 0.595 25437 3353 1 6 . 1 1 52 52 ALA N N 52 126.459 126.459 124.156 2.303 25437 3354 1 6 . 1 1 52 52 ALA HA H 52 4.246 4.246 3.960 0.286 25437 3355 1 6 . 1 1 52 52 ALA CA C 52 53.189 53.189 54.587 -1.398 25437 3356 1 6 . 1 1 52 52 ALA CB C 52 18.453 18.453 18.480 -0.027 25437 3357 1 6 . 1 1 52 52 ALA H H 52 8.251 8.251 8.030 0.221 25437 3358 1 6 . 1 1 53 53 ASN N N 53 116.801 116.801 116.334 0.467 25437 3359 1 6 . 1 1 53 53 ASN HA H 53 4.648 4.648 4.497 0.151 25437 3360 1 6 . 1 1 53 53 ASN CA C 53 53.425 53.425 55.350 -1.925 25437 3361 1 6 . 1 1 53 53 ASN CB C 53 38.600 38.600 38.909 -0.309 25437 3362 1 6 . 1 1 53 53 ASN H H 53 8.230 8.230 8.359 -0.129 25437 3363 1 6 . 1 1 54 54 GLY N N 54 108.549 108.549 105.420 3.129 25437 3364 1 6 . 1 1 54 54 GLY CA C 54 45.746 45.746 44.988 0.758 25437 3365 1 6 . 1 1 54 54 GLY H H 54 8.191 8.191 7.615 0.576 25437 3366 1 6 . 1 1 55 55 THR N N 55 112.528 112.528 119.166 -6.638 25437 3367 1 6 . 1 1 55 55 THR HA H 55 4.282 4.282 4.245 0.037 25437 3368 1 6 . 1 1 55 55 THR CA C 55 62.118 62.118 62.824 -0.706 25437 3369 1 6 . 1 1 55 55 THR CB C 55 69.796 69.796 69.163 0.633 25437 3370 1 6 . 1 1 55 55 THR H H 55 8.003 8.003 8.065 -0.062 25437 3371 1 6 . 1 1 56 56 SER N N 56 116.986 116.986 122.290 -5.304 25437 3372 1 6 . 1 1 56 56 SER HA H 56 4.362 4.362 4.417 -0.055 25437 3373 1 6 . 1 1 56 56 SER CA C 56 58.454 58.454 59.228 -0.774 25437 3374 1 6 . 1 1 56 56 SER CB C 56 63.762 63.762 63.906 -0.144 25437 3375 1 6 . 1 1 56 56 SER H H 56 8.043 8.043 8.174 -0.131 25437 3376 1 6 . 1 1 57 57 PHE N N 57 121.981 121.981 123.033 -1.052 25437 3377 1 6 . 1 1 57 57 PHE HA H 57 4.579 4.579 4.330 0.249 25437 3378 1 6 . 1 1 57 57 PHE CA C 57 57.929 57.929 60.313 -2.384 25437 3379 1 6 . 1 1 57 57 PHE CB C 57 39.068 39.068 39.004 0.064 25437 3380 1 6 . 1 1 57 57 PHE H H 57 8.120 8.120 8.407 -0.287 25437 3381 1 6 . 1 1 58 58 LEU N N 58 121.621 121.621 117.215 4.406 25437 3382 1 6 . 1 1 58 58 LEU HA H 58 4.174 4.174 4.436 -0.262 25437 3383 1 6 . 1 1 58 58 LEU CA C 58 55.350 55.350 54.095 1.255 25437 3384 1 6 . 1 1 58 58 LEU CB C 58 42.340 42.340 40.144 2.196 25437 3385 1 6 . 1 1 58 58 LEU H H 58 7.806 7.806 7.493 0.313 25437 3386 1 6 . 1 1 59 59 LYS N N 59 120.388 120.388 120.370 0.018 25437 3387 1 6 . 1 1 59 59 LYS HA H 59 4.230 4.230 4.338 -0.108 25437 3388 1 6 . 1 1 59 59 LYS CA C 59 55.823 55.823 56.606 -0.783 25437 3389 1 6 . 1 1 59 59 LYS CB C 59 32.616 32.616 33.059 -0.443 25437 3390 1 6 . 1 1 59 59 LYS H H 59 8.068 8.068 7.463 0.605 25437 3391 1 6 . 1 1 60 60 ASP N N 60 121.094 121.094 120.255 0.839 25437 3392 1 6 . 1 1 60 60 ASP HA H 60 4.828 4.828 4.705 0.123 25437 3393 1 6 . 1 1 60 60 ASP CA C 60 53.698 53.698 52.907 0.791 25437 3394 1 6 . 1 1 60 60 ASP CB C 60 41.652 41.652 39.489 2.163 25437 3395 1 6 . 1 1 60 60 ASP H H 60 7.959 7.959 8.621 -0.662 25437 3396 1 6 . 1 1 61 61 PRO HA H 61 4.388 4.388 4.558 -0.170 25437 3397 1 6 . 1 1 61 61 PRO CA C 61 63.263 63.263 62.970 0.293 25437 3398 1 6 . 1 1 61 61 PRO CB C 61 31.697 31.697 29.726 1.971 25437 3399 1 6 . 1 1 62 62 SER N N 62 115.353 115.353 115.376 -0.023 25437 3400 1 6 . 1 1 62 62 SER HA H 62 4.365 4.365 4.610 -0.245 25437 3401 1 6 . 1 1 62 62 SER CA C 62 59.258 59.258 57.364 1.894 25437 3402 1 6 . 1 1 62 62 SER CB C 62 63.634 63.634 64.033 -0.399 25437 3403 1 6 . 1 1 62 62 SER H H 62 8.420 8.420 8.369 0.051 25437 3404 1 6 . 1 1 63 63 LYS N N 63 122.360 122.360 120.806 1.554 25437 3405 1 6 . 1 1 63 63 LYS HA H 63 4.266 4.266 4.217 0.049 25437 3406 1 6 . 1 1 63 63 LYS CA C 63 56.628 56.628 58.063 -1.435 25437 3407 1 6 . 1 1 63 63 LYS CB C 63 29.327 29.327 32.571 -3.244 25437 3408 1 6 . 1 1 63 63 LYS H H 63 8.405 8.405 8.410 -0.005 25437 3409 1 6 . 1 1 65 65 LYS N N 65 125.418 125.418 119.673 5.745 25437 3410 1 6 . 1 1 65 65 LYS HA H 65 4.146 4.146 4.572 -0.426 25437 3411 1 6 . 1 1 65 65 LYS CA C 65 63.350 63.350 55.622 7.728 25437 3412 1 6 . 1 1 65 65 LYS CB C 65 31.891 31.891 32.866 -0.975 25437 3413 1 6 . 1 1 65 65 LYS H H 65 8.369 8.369 8.878 -0.509 25437 3414 1 6 . 1 1 66 66 HIS N N 66 121.236 121.236 119.451 1.785 25437 3415 1 6 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.417 0.128 25437 3416 1 6 . 1 1 66 66 HIS CA C 66 59.256 59.256 59.688 -0.432 25437 3417 1 6 . 1 1 66 66 HIS CB C 66 28.619 28.619 29.688 -1.069 25437 3418 1 6 . 1 1 66 66 HIS H H 66 8.758 8.758 8.554 0.204 25437 3419 1 6 . 1 1 67 67 ILE N N 67 120.137 120.137 116.049 4.088 25437 3420 1 6 . 1 1 67 67 ILE HA H 67 4.372 4.372 3.973 0.399 25437 3421 1 6 . 1 1 67 67 ILE CA C 67 63.961 63.961 62.848 1.113 25437 3422 1 6 . 1 1 67 67 ILE CB C 67 37.935 37.935 36.604 1.331 25437 3423 1 6 . 1 1 67 67 ILE H H 67 7.849 7.849 8.309 -0.460 25437 3424 1 6 . 1 1 68 68 THR N N 68 104.067 104.067 107.640 -3.573 25437 3425 1 6 . 1 1 68 68 THR HA H 68 4.397 4.397 4.410 -0.013 25437 3426 1 6 . 1 1 68 68 THR CA C 68 61.343 61.343 61.784 -0.441 25437 3427 1 6 . 1 1 68 68 THR CB C 68 68.473 68.473 69.374 -0.901 25437 3428 1 6 . 1 1 68 68 THR H H 68 7.168 7.168 7.638 -0.470 25437 3429 1 6 . 1 1 69 69 GLY N N 69 107.308 107.308 109.776 -2.468 25437 3430 1 6 . 1 1 69 69 GLY CA C 69 46.665 46.665 46.361 0.304 25437 3431 1 6 . 1 1 69 69 GLY H H 69 7.169 7.169 7.788 -0.619 25437 3432 1 6 . 1 1 70 70 ASP N N 70 114.629 114.629 119.806 -5.177 25437 3433 1 6 . 1 1 70 70 ASP HA H 70 4.734 4.734 4.724 0.010 25437 3434 1 6 . 1 1 70 70 ASP CA C 70 54.627 54.627 54.050 0.577 25437 3435 1 6 . 1 1 70 70 ASP CB C 70 44.451 44.451 40.781 3.671 25437 3436 1 6 . 1 1 70 70 ASP H H 70 7.644 7.644 7.776 -0.132 25437 3437 1 6 . 1 1 71 71 ALA N N 71 118.917 118.917 118.520 0.397 25437 3438 1 6 . 1 1 71 71 ALA HA H 71 5.062 5.062 5.046 0.016 25437 3439 1 6 . 1 1 71 71 ALA CA C 71 51.498 51.498 51.192 0.306 25437 3440 1 6 . 1 1 71 71 ALA CB C 71 21.994 21.994 21.984 0.010 25437 3441 1 6 . 1 1 71 71 ALA H H 71 7.529 7.529 7.395 0.134 25437 3442 1 6 . 1 1 72 72 ILE N N 72 110.818 110.818 113.510 -2.692 25437 3443 1 6 . 1 1 72 72 ILE HA H 72 5.249 5.249 4.514 0.735 25437 3444 1 6 . 1 1 72 72 ILE CA C 72 58.821 58.821 60.381 -1.560 25437 3445 1 6 . 1 1 72 72 ILE CB C 72 43.709 43.709 42.080 1.629 25437 3446 1 6 . 1 1 72 72 ILE H H 72 8.449 8.449 8.810 -0.361 25437 3447 1 6 . 1 1 73 73 ASP N N 73 117.790 117.790 120.966 -3.176 25437 3448 1 6 . 1 1 73 73 ASP HA H 73 6.094 6.094 5.430 0.664 25437 3449 1 6 . 1 1 73 73 ASP CA C 73 52.090 52.090 53.340 -1.250 25437 3450 1 6 . 1 1 73 73 ASP CB C 73 42.655 42.655 45.309 -2.654 25437 3451 1 6 . 1 1 73 73 ASP H H 73 8.442 8.442 8.938 -0.496 25437 3452 1 6 . 1 1 74 74 PHE N N 74 122.479 122.479 121.979 0.500 25437 3453 1 6 . 1 1 74 74 PHE HA H 74 6.173 6.173 5.442 0.731 25437 3454 1 6 . 1 1 74 74 PHE CA C 74 54.775 54.775 55.711 -0.936 25437 3455 1 6 . 1 1 74 74 PHE CB C 74 44.115 44.115 42.431 1.684 25437 3456 1 6 . 1 1 74 74 PHE H H 74 9.463 9.463 8.047 1.416 25437 3457 1 6 . 1 1 75 75 ALA N N 75 118.862 118.862 121.442 -2.580 25437 3458 1 6 . 1 1 75 75 ALA HA H 75 4.453 4.453 4.311 0.142 25437 3459 1 6 . 1 1 75 75 ALA CA C 75 50.134 50.134 48.893 1.241 25437 3460 1 6 . 1 1 75 75 ALA CB C 75 21.020 21.020 21.385 -0.365 25437 3461 1 6 . 1 1 75 75 ALA H H 75 8.575 8.575 9.065 -0.490 25437 3462 1 6 . 1 1 76 76 PRO HA H 76 4.466 4.466 4.800 -0.334 25437 3463 1 6 . 1 1 76 76 PRO CA C 76 62.353 62.353 62.957 -0.604 25437 3464 1 6 . 1 1 76 76 PRO CB C 76 32.135 32.135 31.381 0.753 25437 3465 1 6 . 1 1 77 77 TYR N N 77 126.211 126.211 126.274 -0.063 25437 3466 1 6 . 1 1 77 77 TYR HA H 77 4.835 4.835 4.576 0.259 25437 3467 1 6 . 1 1 77 77 TYR CA C 77 56.830 56.830 59.231 -2.401 25437 3468 1 6 . 1 1 77 77 TYR CB C 77 40.384 40.384 40.241 0.143 25437 3469 1 6 . 1 1 77 77 TYR H H 77 8.357 8.357 8.478 -0.121 25437 3470 1 6 . 1 1 78 78 ILE N N 78 124.613 124.613 124.317 0.296 25437 3471 1 6 . 1 1 78 78 ILE HA H 78 4.210 4.210 4.268 -0.058 25437 3472 1 6 . 1 1 78 78 ILE CA C 78 59.941 59.941 60.484 -0.543 25437 3473 1 6 . 1 1 78 78 ILE CB C 78 40.652 40.652 41.825 -1.173 25437 3474 1 6 . 1 1 78 78 ILE H H 78 8.334 8.334 8.924 -0.590 25437 3475 1 6 . 1 1 79 79 ASN N N 79 126.361 126.361 125.832 0.529 25437 3476 1 6 . 1 1 79 79 ASN HA H 79 4.339 4.339 4.429 -0.090 25437 3477 1 6 . 1 1 79 79 ASN CA C 79 53.937 53.937 53.759 0.178 25437 3478 1 6 . 1 1 79 79 ASN CB C 79 36.887 36.887 37.053 -0.166 25437 3479 1 6 . 1 1 79 79 ASN H H 79 9.444 9.444 9.065 0.379 25437 3480 1 6 . 1 1 80 80 GLY N N 80 102.068 102.068 101.640 0.428 25437 3481 1 6 . 1 1 80 80 GLY CA C 80 45.663 45.663 45.493 0.170 25437 3482 1 6 . 1 1 80 80 GLY H H 80 8.240 8.240 8.765 -0.525 25437 3483 1 6 . 1 1 81 81 LYS N N 81 117.260 117.260 117.866 -0.606 25437 3484 1 6 . 1 1 81 81 LYS HA H 81 4.534 4.534 4.214 0.320 25437 3485 1 6 . 1 1 81 81 LYS CA C 81 54.226 54.226 53.731 0.495 25437 3486 1 6 . 1 1 81 81 LYS CB C 81 35.655 35.655 35.944 -0.290 25437 3487 1 6 . 1 1 81 81 LYS H H 81 7.046 7.046 7.490 -0.444 25437 3488 1 6 . 1 1 82 82 ILE N N 82 122.347 122.347 120.842 1.505 25437 3489 1 6 . 1 1 82 82 ILE HA H 82 4.091 4.091 3.335 0.756 25437 3490 1 6 . 1 1 82 82 ILE CA C 82 62.621 62.621 62.179 0.442 25437 3491 1 6 . 1 1 82 82 ILE CB C 82 37.833 37.833 37.854 -0.021 25437 3492 1 6 . 1 1 82 82 ILE H H 82 8.418 8.418 8.231 0.187 25437 3493 1 6 . 1 1 83 83 ASP N N 83 128.498 128.498 126.488 2.010 25437 3494 1 6 . 1 1 83 83 ASP HA H 83 4.808 4.808 4.632 0.176 25437 3495 1 6 . 1 1 83 83 ASP CA C 83 51.619 51.619 52.910 -1.291 25437 3496 1 6 . 1 1 83 83 ASP CB C 83 41.079 41.079 40.329 0.750 25437 3497 1 6 . 1 1 83 83 ASP H H 83 8.028 8.028 8.287 -0.259 25437 3498 1 6 . 1 1 84 84 TRP N N 84 121.807 121.807 124.664 -2.857 25437 3499 1 6 . 1 1 84 84 TRP HA H 84 4.574 4.574 4.530 0.044 25437 3500 1 6 . 1 1 84 84 TRP CA C 84 58.456 58.456 58.231 0.225 25437 3501 1 6 . 1 1 84 84 TRP CB C 84 30.177 30.177 31.222 -1.045 25437 3502 1 6 . 1 1 84 84 TRP H H 84 8.081 8.081 8.189 -0.108 25437 3503 1 6 . 1 1 85 85 ASN N N 85 113.227 113.227 117.291 -4.064 25437 3504 1 6 . 1 1 85 85 ASN HA H 85 4.975 4.975 4.760 0.215 25437 3505 1 6 . 1 1 85 85 ASN CA C 85 53.430 53.430 54.737 -1.307 25437 3506 1 6 . 1 1 85 85 ASN CB C 85 40.162 40.162 39.495 0.667 25437 3507 1 6 . 1 1 85 85 ASN H H 85 8.386 8.386 8.037 0.349 25437 3508 1 6 . 1 1 86 86 ASP N N 86 118.821 118.821 122.203 -3.382 25437 3509 1 6 . 1 1 86 86 ASP HA H 86 4.813 4.813 4.793 0.020 25437 3510 1 6 . 1 1 86 86 ASP CA C 86 52.255 52.255 53.856 -1.601 25437 3511 1 6 . 1 1 86 86 ASP CB C 86 37.613 37.613 40.272 -2.659 25437 3512 1 6 . 1 1 86 86 ASP H H 86 7.405 7.405 8.119 -0.714 25437 3513 1 6 . 1 1 87 87 LEU N N 87 127.177 127.177 123.618 3.559 25437 3514 1 6 . 1 1 87 87 LEU HA H 87 4.055 4.055 4.290 -0.235 25437 3515 1 6 . 1 1 87 87 LEU CA C 87 58.321 58.321 57.443 0.878 25437 3516 1 6 . 1 1 87 87 LEU CB C 87 40.887 40.887 42.123 -1.236 25437 3517 1 6 . 1 1 87 87 LEU H H 87 8.274 8.274 7.648 0.626 25437 3518 1 6 . 1 1 88 88 GLU N N 88 114.132 114.132 120.613 -6.481 25437 3519 1 6 . 1 1 88 88 GLU HA H 88 3.938 3.938 3.953 -0.015 25437 3520 1 6 . 1 1 88 88 GLU CA C 88 59.437 59.437 59.476 -0.039 25437 3521 1 6 . 1 1 88 88 GLU CB C 88 27.987 27.987 28.866 -0.879 25437 3522 1 6 . 1 1 88 88 GLU H H 88 8.257 8.257 8.429 -0.172 25437 3523 1 6 . 1 1 89 89 ALA N N 89 122.075 122.075 122.322 -0.247 25437 3524 1 6 . 1 1 89 89 ALA HA H 89 3.799 3.799 4.372 -0.573 25437 3525 1 6 . 1 1 89 89 ALA CA C 89 54.703 54.703 54.904 -0.201 25437 3526 1 6 . 1 1 89 89 ALA CB C 89 17.635 17.635 18.131 -0.496 25437 3527 1 6 . 1 1 89 89 ALA H H 89 7.418 7.418 8.086 -0.668 25437 3528 1 6 . 1 1 90 90 PHE N N 90 116.551 116.551 118.309 -1.758 25437 3529 1 6 . 1 1 90 90 PHE HA H 90 4.025 4.025 4.288 -0.263 25437 3530 1 6 . 1 1 90 90 PHE CA C 90 64.150 64.150 59.429 4.721 25437 3531 1 6 . 1 1 90 90 PHE CB C 90 38.965 38.965 38.732 0.233 25437 3532 1 6 . 1 1 90 90 PHE H H 90 7.777 7.777 7.736 0.041 25437 3533 1 6 . 1 1 91 91 TRP N N 91 119.390 119.390 121.336 -1.946 25437 3534 1 6 . 1 1 91 91 TRP HA H 91 4.578 4.578 4.022 0.556 25437 3535 1 6 . 1 1 91 91 TRP CA C 91 59.217 59.217 61.755 -2.538 25437 3536 1 6 . 1 1 91 91 TRP CB C 91 29.802 29.802 29.480 0.322 25437 3537 1 6 . 1 1 91 91 TRP H H 91 7.821 7.821 8.160 -0.339 25437 3538 1 6 . 1 1 92 92 ALA N N 92 121.275 121.275 121.763 -0.488 25437 3539 1 6 . 1 1 92 92 ALA HA H 92 4.124 4.124 3.943 0.181 25437 3540 1 6 . 1 1 92 92 ALA CA C 92 55.229 55.229 54.594 0.634 25437 3541 1 6 . 1 1 92 92 ALA CB C 92 18.870 18.870 18.452 0.418 25437 3542 1 6 . 1 1 92 92 ALA H H 92 8.242 8.242 7.768 0.474 25437 3543 1 6 . 1 1 93 93 VAL N N 93 120.454 120.454 119.149 1.305 25437 3544 1 6 . 1 1 93 93 VAL HA H 93 3.600 3.600 3.630 -0.029 25437 3545 1 6 . 1 1 93 93 VAL CA C 93 66.424 66.424 66.606 -0.182 25437 3546 1 6 . 1 1 93 93 VAL CB C 93 30.676 30.676 32.052 -1.376 25437 3547 1 6 . 1 1 93 93 VAL H H 93 8.259 8.259 8.603 -0.344 25437 3548 1 6 . 1 1 94 94 LYS N N 94 122.098 122.098 119.496 2.602 25437 3549 1 6 . 1 1 94 94 LYS HA H 94 3.690 3.690 3.922 -0.232 25437 3550 1 6 . 1 1 94 94 LYS CA C 94 60.959 60.959 59.429 1.530 25437 3551 1 6 . 1 1 94 94 LYS CB C 94 31.484 31.484 31.710 -0.226 25437 3552 1 6 . 1 1 94 94 LYS H H 94 8.382 8.382 7.867 0.515 25437 3553 1 6 . 1 1 95 95 LYS N N 95 118.030 118.030 118.962 -0.932 25437 3554 1 6 . 1 1 95 95 LYS HA H 95 3.958 3.958 4.170 -0.212 25437 3555 1 6 . 1 1 95 95 LYS CA C 95 59.212 59.212 58.421 0.791 25437 3556 1 6 . 1 1 95 95 LYS CB C 95 31.219 31.219 31.495 -0.276 25437 3557 1 6 . 1 1 95 95 LYS H H 95 7.957 7.957 7.416 0.541 25437 3558 1 6 . 1 1 96 96 ALA N N 96 124.359 124.359 120.662 3.697 25437 3559 1 6 . 1 1 96 96 ALA HA H 96 4.229 4.229 4.176 0.053 25437 3560 1 6 . 1 1 96 96 ALA CA C 96 55.422 55.422 54.622 0.800 25437 3561 1 6 . 1 1 96 96 ALA CB C 96 17.148 17.148 18.104 -0.956 25437 3562 1 6 . 1 1 96 96 ALA H H 96 7.668 7.668 7.578 0.090 25437 3563 1 6 . 1 1 97 97 PHE N N 97 117.446 117.446 119.208 -1.762 25437 3564 1 6 . 1 1 97 97 PHE HA H 97 3.883 3.883 4.125 -0.242 25437 3565 1 6 . 1 1 97 97 PHE CA C 97 63.187 63.187 61.999 1.188 25437 3566 1 6 . 1 1 97 97 PHE CB C 97 40.401 40.401 39.222 1.179 25437 3567 1 6 . 1 1 97 97 PHE H H 97 8.369 8.369 7.936 0.433 25437 3568 1 6 . 1 1 98 98 GLU N N 98 119.148 119.148 118.634 0.514 25437 3569 1 6 . 1 1 98 98 GLU HA H 98 4.140 4.140 3.802 0.338 25437 3570 1 6 . 1 1 98 98 GLU CA C 98 59.610 59.610 58.802 0.808 25437 3571 1 6 . 1 1 98 98 GLU CB C 98 29.444 29.444 28.944 0.500 25437 3572 1 6 . 1 1 98 98 GLU H H 98 8.821 8.821 8.015 0.806 25437 3573 1 6 . 1 1 99 99 GLN N N 99 120.727 120.727 118.241 2.486 25437 3574 1 6 . 1 1 99 99 GLN HA H 99 4.061 4.061 4.136 -0.075 25437 3575 1 6 . 1 1 99 99 GLN CA C 99 59.130 59.130 57.978 1.152 25437 3576 1 6 . 1 1 99 99 GLN CB C 99 27.524 27.524 28.547 -1.023 25437 3577 1 6 . 1 1 99 99 GLN H H 99 8.436 8.436 7.767 0.669 25437 3578 1 6 . 1 1 100 100 ALA N N 100 122.603 122.603 122.655 -0.052 25437 3579 1 6 . 1 1 100 100 ALA HA H 100 3.886 3.886 4.060 -0.174 25437 3580 1 6 . 1 1 100 100 ALA CA C 100 55.399 55.399 54.986 0.413 25437 3581 1 6 . 1 1 100 100 ALA CB C 100 19.472 19.472 18.144 1.328 25437 3582 1 6 . 1 1 100 100 ALA H H 100 8.433 8.433 8.111 0.322 25437 3583 1 6 . 1 1 101 101 GLY N N 101 104.253 104.253 105.660 -1.407 25437 3584 1 6 . 1 1 101 101 GLY CA C 101 47.843 47.843 46.719 1.124 25437 3585 1 6 . 1 1 101 101 GLY H H 101 9.035 9.035 8.021 1.014 25437 3586 1 6 . 1 1 102 102 LYS N N 102 121.912 121.912 121.715 0.197 25437 3587 1 6 . 1 1 102 102 LYS HA H 102 4.116 4.116 3.911 0.205 25437 3588 1 6 . 1 1 102 102 LYS CA C 102 59.314 59.314 59.641 -0.327 25437 3589 1 6 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.407 -0.228 25437 3590 1 6 . 1 1 102 102 LYS H H 102 7.928 7.928 7.396 0.532 25437 3591 1 6 . 1 1 103 103 GLU N N 103 119.382 119.382 118.174 1.208 25437 3592 1 6 . 1 1 103 103 GLU HA H 103 3.989 3.989 4.147 -0.158 25437 3593 1 6 . 1 1 103 103 GLU CA C 103 59.093 59.093 58.107 0.986 25437 3594 1 6 . 1 1 103 103 GLU CB C 103 30.127 30.127 29.517 0.610 25437 3595 1 6 . 1 1 103 103 GLU H H 103 8.406 8.406 7.601 0.805 25437 3596 1 6 . 1 1 104 104 LEU N N 104 115.551 115.551 119.266 -3.715 25437 3597 1 6 . 1 1 104 104 LEU HA H 104 4.360 4.360 4.059 0.301 25437 3598 1 6 . 1 1 104 104 LEU CA C 104 55.185 55.185 56.254 -1.069 25437 3599 1 6 . 1 1 104 104 LEU CB C 104 43.105 43.105 42.146 0.959 25437 3600 1 6 . 1 1 104 104 LEU H H 104 7.999 7.999 8.422 -0.423 25437 3601 1 6 . 1 1 105 105 GLY N N 105 110.561 110.561 106.499 4.062 25437 3602 1 6 . 1 1 105 105 GLY CA C 105 46.480 46.480 45.756 0.724 25437 3603 1 6 . 1 1 105 105 GLY H H 105 7.898 7.898 7.731 0.167 25437 3604 1 6 . 1 1 106 106 ILE N N 106 121.745 121.745 121.187 0.558 25437 3605 1 6 . 1 1 106 106 ILE HA H 106 4.227 4.227 4.017 0.210 25437 3606 1 6 . 1 1 106 106 ILE CA C 106 59.717 59.717 60.695 -0.978 25437 3607 1 6 . 1 1 106 106 ILE CB C 106 41.096 41.096 39.013 2.083 25437 3608 1 6 . 1 1 106 106 ILE H H 106 8.428 8.428 7.304 1.124 25437 3609 1 6 . 1 1 107 107 LYS N N 107 127.736 127.736 127.631 0.105 25437 3610 1 6 . 1 1 107 107 LYS HA H 107 4.275 4.275 4.168 0.107 25437 3611 1 6 . 1 1 107 107 LYS CA C 107 57.224 57.224 57.642 -0.418 25437 3612 1 6 . 1 1 107 107 LYS CB C 107 32.752 32.752 32.577 0.175 25437 3613 1 6 . 1 1 107 107 LYS H H 107 8.489 8.489 8.479 0.010 25437 3614 1 6 . 1 1 108 108 LEU N N 108 122.881 122.881 124.254 -1.373 25437 3615 1 6 . 1 1 108 108 LEU HA H 108 5.235 5.235 4.414 0.821 25437 3616 1 6 . 1 1 108 108 LEU CA C 108 53.287 53.287 55.040 -1.753 25437 3617 1 6 . 1 1 108 108 LEU CB C 108 47.016 47.016 44.259 2.757 25437 3618 1 6 . 1 1 108 108 LEU H H 108 8.049 8.049 8.277 -0.228 25437 3619 1 6 . 1 1 109 109 ARG N N 109 120.726 120.726 125.204 -4.478 25437 3620 1 6 . 1 1 109 109 ARG HA H 109 4.438 4.438 4.109 0.329 25437 3621 1 6 . 1 1 109 109 ARG CA C 109 55.193 55.193 55.988 -0.795 25437 3622 1 6 . 1 1 109 109 ARG CB C 109 33.519 33.519 34.365 -0.846 25437 3623 1 6 . 1 1 109 109 ARG H H 109 8.736 8.736 8.316 0.420 25437 3624 1 6 . 1 1 110 110 PHE N N 110 121.516 121.516 119.826 1.690 25437 3625 1 6 . 1 1 110 110 PHE HA H 110 5.303 5.303 4.889 0.414 25437 3626 1 6 . 1 1 110 110 PHE CA C 110 56.644 56.644 55.883 0.761 25437 3627 1 6 . 1 1 110 110 PHE CB C 110 40.602 40.602 39.281 1.321 25437 3628 1 6 . 1 1 110 110 PHE H H 110 8.707 8.707 7.826 0.881 25437 3629 1 6 . 1 1 111 111 GLY N N 111 108.992 108.992 109.272 -0.280 25437 3630 1 6 . 1 1 111 111 GLY CA C 111 45.604 45.604 44.403 1.201 25437 3631 1 6 . 1 1 111 111 GLY H H 111 7.819 7.819 8.675 -0.856 25437 3632 1 6 . 1 1 112 112 ALA N N 112 111.448 111.448 126.468 -15.020 25437 3633 1 6 . 1 1 112 112 ALA HA H 112 3.858 3.858 4.361 -0.503 25437 3634 1 6 . 1 1 112 112 ALA CA C 112 52.083 52.083 53.352 -1.269 25437 3635 1 6 . 1 1 112 112 ALA CB C 112 18.655 18.655 19.720 -1.065 25437 3636 1 6 . 1 1 112 112 ALA H H 112 7.945 7.945 8.238 -0.293 25437 3637 1 6 . 1 1 113 113 ASP N N 113 106.770 106.770 117.598 -10.828 25437 3638 1 6 . 1 1 113 113 ASP HA H 113 5.157 5.157 4.791 0.366 25437 3639 1 6 . 1 1 113 113 ASP CA C 113 52.285 52.285 53.977 -1.692 25437 3640 1 6 . 1 1 113 113 ASP CB C 113 41.465 41.465 41.803 -0.338 25437 3641 1 6 . 1 1 113 113 ASP H H 113 7.000 7.000 8.546 -1.546 25437 3642 1 6 . 1 1 114 114 TRP N N 114 119.829 119.829 121.463 -1.634 25437 3643 1 6 . 1 1 114 114 TRP HA H 114 4.184 4.184 4.358 -0.174 25437 3644 1 6 . 1 1 114 114 TRP CA C 114 61.455 61.455 61.546 -0.091 25437 3645 1 6 . 1 1 114 114 TRP CB C 114 26.427 26.427 29.032 -2.606 25437 3646 1 6 . 1 1 114 114 TRP H H 114 7.589 7.589 8.645 -1.056 25437 3647 1 6 . 1 1 115 115 ASN N N 115 117.900 117.900 116.960 0.940 25437 3648 1 6 . 1 1 115 115 ASN HA H 115 4.548 4.548 4.562 -0.014 25437 3649 1 6 . 1 1 115 115 ASN CA C 115 55.955 55.955 56.705 -0.750 25437 3650 1 6 . 1 1 115 115 ASN CB C 115 36.818 36.818 37.678 -0.860 25437 3651 1 6 . 1 1 115 115 ASN H H 115 9.503 9.503 8.880 0.623 25437 3652 1 6 . 1 1 116 116 ALA N N 116 123.758 123.758 120.751 3.007 25437 3653 1 6 . 1 1 116 116 ALA HA H 116 4.181 4.181 4.198 -0.017 25437 3654 1 6 . 1 1 116 116 ALA CA C 116 53.111 53.111 54.018 -0.907 25437 3655 1 6 . 1 1 116 116 ALA CB C 116 16.596 16.596 18.282 -1.686 25437 3656 1 6 . 1 1 116 116 ALA H H 116 8.079 8.079 7.448 0.631 25437 3657 1 6 . 1 1 117 117 SER N N 117 116.009 116.009 113.044 2.965 25437 3658 1 6 . 1 1 117 117 SER HA H 117 4.417 4.417 4.165 0.252 25437 3659 1 6 . 1 1 117 117 SER CA C 117 59.433 59.433 60.300 -0.867 25437 3660 1 6 . 1 1 117 117 SER CB C 117 65.026 65.026 63.436 1.590 25437 3661 1 6 . 1 1 117 117 SER H H 117 9.460 9.460 8.006 1.454 25437 3662 1 6 . 1 1 118 118 GLY N N 118 115.031 115.031 108.048 6.983 25437 3663 1 6 . 1 1 118 118 GLY CA C 118 45.197 45.197 45.306 -0.109 25437 3664 1 6 . 1 1 118 118 GLY H H 118 10.733 10.733 7.784 2.949 25437 3665 1 6 . 1 1 119 119 ASP N N 119 116.435 116.435 118.901 -2.466 25437 3666 1 6 . 1 1 119 119 ASP HA H 119 4.590 4.590 4.708 -0.118 25437 3667 1 6 . 1 1 119 119 ASP CA C 119 53.181 53.181 53.547 -0.366 25437 3668 1 6 . 1 1 119 119 ASP CB C 119 43.864 43.864 43.640 0.224 25437 3669 1 6 . 1 1 119 119 ASP H H 119 7.770 7.770 8.212 -0.442 25437 3670 1 6 . 1 1 120 120 TYR N N 120 120.253 120.253 115.208 5.045 25437 3671 1 6 . 1 1 120 120 TYR HA H 120 6.088 6.088 4.758 1.330 25437 3672 1 6 . 1 1 120 120 TYR CA C 120 56.003 56.003 57.052 -1.049 25437 3673 1 6 . 1 1 120 120 TYR CB C 120 40.371 40.371 39.636 0.735 25437 3674 1 6 . 1 1 120 120 TYR H H 120 6.801 6.801 7.786 -0.985 25437 3675 1 6 . 1 1 121 121 HIS HA H 121 4.537 4.537 4.929 -0.393 25437 3676 1 6 . 1 1 121 121 HIS CA C 121 59.002 59.002 56.483 2.519 25437 3677 1 6 . 1 1 121 121 HIS CB C 121 27.950 27.950 29.847 -1.897 25437 3678 1 6 . 1 1 122 122 ASP N N 122 111.622 111.622 120.072 -8.450 25437 3679 1 6 . 1 1 122 122 ASP HA H 122 4.815 4.815 4.365 0.450 25437 3680 1 6 . 1 1 122 122 ASP CA C 122 51.612 51.612 55.099 -3.487 25437 3681 1 6 . 1 1 122 122 ASP CB C 122 36.980 36.980 40.214 -3.234 25437 3682 1 6 . 1 1 122 122 ASP H H 122 8.154 8.154 8.103 0.051 25437 3683 1 6 . 1 1 124 124 ILE N N 124 119.763 119.763 116.608 3.155 25437 3684 1 6 . 1 1 124 124 ILE HA H 124 3.843 3.843 3.819 0.024 25437 3685 1 6 . 1 1 124 124 ILE CA C 124 64.714 64.714 62.928 1.786 25437 3686 1 6 . 1 1 124 124 ILE CB C 124 36.859 36.859 37.201 -0.342 25437 3687 1 6 . 1 1 124 124 ILE H H 124 7.639 7.639 8.689 -1.050 25437 3688 1 6 . 1 1 125 125 LYS N N 125 121.010 121.010 116.449 4.561 25437 3689 1 6 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.181 -0.072 25437 3690 1 6 . 1 1 125 125 LYS CA C 125 59.241 59.241 58.584 0.657 25437 3691 1 6 . 1 1 125 125 LYS CB C 125 31.985 31.985 32.023 -0.038 25437 3692 1 6 . 1 1 125 125 LYS H H 125 7.739 7.739 8.227 -0.488 25437 3693 1 6 . 1 1 126 126 ARG N N 126 115.276 115.276 117.113 -1.837 25437 3694 1 6 . 1 1 126 126 ARG HA H 126 4.338 4.338 4.185 0.153 25437 3695 1 6 . 1 1 126 126 ARG CA C 126 57.189 57.189 56.842 0.347 25437 3696 1 6 . 1 1 126 126 ARG CB C 126 31.015 31.015 30.544 0.471 25437 3697 1 6 . 1 1 126 126 ARG H H 126 7.904 7.904 7.584 0.320 25437 3698 1 6 . 1 1 127 127 GLY N N 127 107.767 107.767 107.940 -0.173 25437 3699 1 6 . 1 1 127 127 GLY CA C 127 45.822 45.822 44.845 0.977 25437 3700 1 6 . 1 1 127 127 GLY H H 127 7.912 7.912 7.736 0.176 25437 3701 1 6 . 1 1 128 128 THR N N 128 107.570 107.570 113.057 -5.487 25437 3702 1 6 . 1 1 128 128 THR HA H 128 4.252 4.252 4.343 -0.091 25437 3703 1 6 . 1 1 128 128 THR CA C 128 60.620 60.620 60.392 0.228 25437 3704 1 6 . 1 1 128 128 THR CB C 128 69.224 69.224 70.200 -0.976 25437 3705 1 6 . 1 1 128 128 THR H H 128 8.121 8.121 7.689 0.432 25437 3706 1 6 . 1 1 129 129 TYR N N 129 123.143 123.143 121.441 1.702 25437 3707 1 6 . 1 1 129 129 TYR HA H 129 4.173 4.173 4.819 -0.646 25437 3708 1 6 . 1 1 129 129 TYR CA C 129 61.448 61.448 56.946 4.502 25437 3709 1 6 . 1 1 129 129 TYR CB C 129 38.796 38.796 39.344 -0.548 25437 3710 1 6 . 1 1 129 129 TYR H H 129 7.209 7.209 8.565 -1.356 25437 3711 1 6 . 1 1 130 130 ASP N N 130 117.930 117.930 122.245 -4.315 25437 3712 1 6 . 1 1 130 130 ASP HA H 130 4.641 4.641 4.322 0.319 25437 3713 1 6 . 1 1 130 130 ASP CA C 130 53.440 53.440 57.733 -4.293 25437 3714 1 6 . 1 1 130 130 ASP CB C 130 43.221 43.221 40.767 2.454 25437 3715 1 6 . 1 1 130 130 ASP H H 130 8.216 8.216 8.033 0.183 25437 3716 1 6 . 1 1 132 132 GLY N N 132 107.481 107.481 108.438 -0.957 25437 3717 1 6 . 1 1 132 132 GLY CA C 132 44.013 44.013 44.760 -0.747 25437 3718 1 6 . 1 1 132 132 GLY H H 132 8.304 8.304 7.511 0.793 25437 3719 1 6 . 1 1 133 133 HIS N N 133 117.609 117.609 122.140 -4.531 25437 3720 1 6 . 1 1 133 133 HIS HA H 133 5.430 5.430 4.474 0.956 25437 3721 1 6 . 1 1 133 133 HIS CA C 133 57.155 57.155 56.958 0.197 25437 3722 1 6 . 1 1 133 133 HIS CB C 133 31.667 31.667 29.784 1.883 25437 3723 1 6 . 1 1 133 133 HIS H H 133 6.942 6.942 7.302 -0.360 25437 3724 1 6 . 1 1 134 134 VAL N N 134 133.201 133.201 123.397 9.804 25437 3725 1 6 . 1 1 134 134 VAL HA H 134 4.254 4.254 4.595 -0.341 25437 3726 1 6 . 1 1 134 134 VAL CA C 134 61.676 61.676 60.150 1.526 25437 3727 1 6 . 1 1 134 134 VAL CB C 134 34.775 34.775 33.636 1.139 25437 3728 1 6 . 1 1 134 134 VAL H H 134 9.127 9.127 8.288 0.839 25437 3729 1 6 . 1 1 135 135 GLU N N 135 119.904 119.904 124.217 -4.313 25437 3730 1 6 . 1 1 135 135 GLU HA H 135 5.458 5.458 4.820 0.638 25437 3731 1 6 . 1 1 135 135 GLU CA C 135 52.126 52.126 53.657 -1.531 25437 3732 1 6 . 1 1 135 135 GLU CB C 135 34.550 34.550 33.089 1.461 25437 3733 1 6 . 1 1 135 135 GLU H H 135 8.501 8.501 8.209 0.292 25437 3734 1 6 . 1 1 136 136 LEU N N 136 119.357 119.357 122.753 -3.396 25437 3735 1 6 . 1 1 136 136 LEU HA H 136 4.432 4.432 4.420 0.012 25437 3736 1 6 . 1 1 136 136 LEU CA C 136 54.772 54.772 55.716 -0.944 25437 3737 1 6 . 1 1 136 136 LEU CB C 136 42.524 42.524 42.023 0.501 25437 3738 1 6 . 1 1 136 136 LEU H H 136 8.280 8.280 8.372 -0.092 25437 3739 1 7 . 1 1 3 3 PHE N N 3 121.785 121.785 120.040 1.745 25437 3740 1 7 . 1 1 3 3 PHE HA H 3 4.792 4.792 4.401 0.391 25437 3741 1 7 . 1 1 3 3 PHE CA C 3 56.407 56.407 57.760 -1.353 25437 3742 1 7 . 1 1 3 3 PHE CB C 3 40.111 40.111 40.181 -0.070 25437 3743 1 7 . 1 1 3 3 PHE H H 3 8.534 8.534 8.009 0.525 25437 3744 1 7 . 1 1 4 4 LYS N N 4 119.409 119.409 120.714 -1.305 25437 3745 1 7 . 1 1 4 4 LYS HA H 4 4.452 4.452 4.066 0.386 25437 3746 1 7 . 1 1 4 4 LYS CA C 4 54.774 54.774 54.035 0.739 25437 3747 1 7 . 1 1 4 4 LYS CB C 4 35.710 35.710 35.249 0.461 25437 3748 1 7 . 1 1 4 4 LYS H H 4 8.367 8.367 7.254 1.113 25437 3749 1 7 . 1 1 5 5 PHE N N 5 124.495 124.495 120.193 4.302 25437 3750 1 7 . 1 1 5 5 PHE HA H 5 4.873 4.873 4.540 0.333 25437 3751 1 7 . 1 1 5 5 PHE CA C 5 58.636 58.636 57.702 0.934 25437 3752 1 7 . 1 1 5 5 PHE CB C 5 39.217 39.217 39.104 0.113 25437 3753 1 7 . 1 1 5 5 PHE H H 5 8.603 8.603 7.773 0.830 25437 3754 1 7 . 1 1 6 6 GLY N N 6 108.622 108.622 111.259 -2.637 25437 3755 1 7 . 1 1 6 6 GLY CA C 6 43.819 43.819 44.556 -0.737 25437 3756 1 7 . 1 1 6 6 GLY H H 6 8.559 8.559 8.448 0.111 25437 3757 1 7 . 1 1 7 7 LYS N N 7 119.341 119.341 120.177 -0.836 25437 3758 1 7 . 1 1 7 7 LYS HA H 7 3.958 3.958 4.081 -0.123 25437 3759 1 7 . 1 1 7 7 LYS CA C 7 60.087 60.087 59.389 0.698 25437 3760 1 7 . 1 1 7 7 LYS CB C 7 32.399 32.399 32.477 -0.078 25437 3761 1 7 . 1 1 7 7 LYS H H 7 8.692 8.692 8.665 0.027 25437 3762 1 7 . 1 1 8 8 ASN N N 8 118.555 118.555 116.188 2.367 25437 3763 1 7 . 1 1 8 8 ASN HA H 8 4.551 4.551 4.537 0.014 25437 3764 1 7 . 1 1 8 8 ASN CA C 8 56.776 56.776 56.262 0.514 25437 3765 1 7 . 1 1 8 8 ASN CB C 8 36.961 36.961 37.891 -0.930 25437 3766 1 7 . 1 1 8 8 ASN H H 8 9.185 9.185 8.526 0.659 25437 3767 1 7 . 1 1 9 9 SER N N 9 118.632 118.632 116.231 2.401 25437 3768 1 7 . 1 1 9 9 SER HA H 9 4.283 4.283 4.313 -0.030 25437 3769 1 7 . 1 1 9 9 SER CA C 9 62.790 62.790 61.156 1.634 25437 3770 1 7 . 1 1 9 9 SER CB C 9 62.790 62.790 62.825 -0.035 25437 3771 1 7 . 1 1 9 9 SER H H 9 8.076 8.076 7.986 0.090 25437 3772 1 7 . 1 1 10 10 GLU N N 10 120.882 120.882 120.113 0.769 25437 3773 1 7 . 1 1 10 10 GLU HA H 10 3.977 3.977 4.037 -0.060 25437 3774 1 7 . 1 1 10 10 GLU CA C 10 59.409 59.409 59.889 -0.480 25437 3775 1 7 . 1 1 10 10 GLU CB C 10 28.556 28.556 29.653 -1.097 25437 3776 1 7 . 1 1 10 10 GLU H H 10 8.351 8.351 8.200 0.151 25437 3777 1 7 . 1 1 11 11 LYS N N 11 120.030 120.030 118.619 1.411 25437 3778 1 7 . 1 1 11 11 LYS HA H 11 4.056 4.056 4.130 -0.074 25437 3779 1 7 . 1 1 11 11 LYS CA C 11 59.477 59.477 58.739 0.738 25437 3780 1 7 . 1 1 11 11 LYS CB C 11 32.032 32.032 32.048 -0.016 25437 3781 1 7 . 1 1 11 11 LYS H H 11 7.937 7.937 7.339 0.598 25437 3782 1 7 . 1 1 12 12 GLN N N 12 114.749 114.749 119.906 -5.157 25437 3783 1 7 . 1 1 12 12 GLN HA H 12 4.147 4.147 4.117 0.030 25437 3784 1 7 . 1 1 12 12 GLN CA C 12 57.373 57.373 58.916 -1.542 25437 3785 1 7 . 1 1 12 12 GLN CB C 12 28.511 28.511 28.731 -0.220 25437 3786 1 7 . 1 1 12 12 GLN H H 12 7.562 7.562 8.079 -0.517 25437 3787 1 7 . 1 1 13 13 LEU N N 13 121.751 121.751 118.662 3.089 25437 3788 1 7 . 1 1 13 13 LEU HA H 13 3.880 3.880 4.255 -0.375 25437 3789 1 7 . 1 1 13 13 LEU CA C 13 57.080 57.080 56.349 0.731 25437 3790 1 7 . 1 1 13 13 LEU CB C 13 42.413 42.413 40.506 1.907 25437 3791 1 7 . 1 1 13 13 LEU H H 13 8.725 8.725 8.196 0.529 25437 3792 1 7 . 1 1 14 14 ALA N N 14 116.323 116.323 119.558 -3.235 25437 3793 1 7 . 1 1 14 14 ALA HA H 14 4.070 4.070 4.308 -0.238 25437 3794 1 7 . 1 1 14 14 ALA CA C 14 53.706 53.706 53.801 -0.095 25437 3795 1 7 . 1 1 14 14 ALA CB C 14 18.020 18.020 18.945 -0.925 25437 3796 1 7 . 1 1 14 14 ALA H H 14 7.574 7.574 7.466 0.108 25437 3797 1 7 . 1 1 15 15 THR N N 15 104.034 104.034 109.521 -5.487 25437 3798 1 7 . 1 1 15 15 THR HA H 15 4.431 4.431 4.411 0.020 25437 3799 1 7 . 1 1 15 15 THR CA C 15 62.381 62.381 61.131 1.250 25437 3800 1 7 . 1 1 15 15 THR CB C 15 70.327 70.327 69.909 0.418 25437 3801 1 7 . 1 1 15 15 THR H H 15 7.326 7.326 7.262 0.064 25437 3802 1 7 . 1 1 16 16 VAL N N 16 112.438 112.438 122.443 -10.005 25437 3803 1 7 . 1 1 16 16 VAL HA H 16 4.922 4.922 3.885 1.037 25437 3804 1 7 . 1 1 16 16 VAL CA C 16 59.661 59.661 63.616 -3.955 25437 3805 1 7 . 1 1 16 16 VAL CB C 16 32.989 32.989 33.007 -0.018 25437 3806 1 7 . 1 1 16 16 VAL H H 16 7.164 7.164 7.305 -0.141 25437 3807 1 7 . 1 1 17 17 LYS N N 17 120.729 120.729 128.463 -7.734 25437 3808 1 7 . 1 1 17 17 LYS HA H 17 4.230 4.230 4.355 -0.125 25437 3809 1 7 . 1 1 17 17 LYS CA C 17 55.486 55.486 57.919 -2.433 25437 3810 1 7 . 1 1 17 17 LYS CB C 17 32.079 32.079 30.393 1.686 25437 3811 1 7 . 1 1 17 17 LYS H H 17 8.907 8.907 8.787 0.120 25437 3812 1 7 . 1 1 18 18 PRO HA H 18 4.130 4.130 4.497 -0.367 25437 3813 1 7 . 1 1 18 18 PRO CA C 18 65.813 65.813 63.056 2.757 25437 3814 1 7 . 1 1 18 18 PRO CB C 18 31.864 31.864 31.936 -0.072 25437 3815 1 7 . 1 1 19 19 GLU N N 19 117.608 117.608 117.217 0.391 25437 3816 1 7 . 1 1 19 19 GLU HA H 19 4.011 4.011 4.513 -0.502 25437 3817 1 7 . 1 1 19 19 GLU CA C 19 61.031 61.031 56.364 4.667 25437 3818 1 7 . 1 1 19 19 GLU CB C 19 29.117 29.117 29.267 -0.150 25437 3819 1 7 . 1 1 19 19 GLU H H 19 9.714 9.714 8.723 0.991 25437 3820 1 7 . 1 1 20 20 LEU N N 20 117.938 117.938 118.567 -0.629 25437 3821 1 7 . 1 1 20 20 LEU HA H 20 4.258 4.258 4.034 0.224 25437 3822 1 7 . 1 1 20 20 LEU CA C 20 56.261 56.261 57.944 -1.683 25437 3823 1 7 . 1 1 20 20 LEU CB C 20 41.894 41.894 40.807 1.087 25437 3824 1 7 . 1 1 20 20 LEU H H 20 7.188 7.188 7.857 -0.669 25437 3825 1 7 . 1 1 21 21 GLN N N 21 118.367 118.367 118.135 0.232 25437 3826 1 7 . 1 1 21 21 GLN HA H 21 3.831 3.831 3.968 -0.137 25437 3827 1 7 . 1 1 21 21 GLN CA C 21 60.100 60.100 58.603 1.497 25437 3828 1 7 . 1 1 21 21 GLN CB C 21 27.745 27.745 27.675 0.070 25437 3829 1 7 . 1 1 21 21 GLN H H 21 7.805 7.805 8.594 -0.789 25437 3830 1 7 . 1 1 22 22 LYS N N 22 116.715 116.715 120.246 -3.531 25437 3831 1 7 . 1 1 22 22 LYS HA H 22 3.962 3.962 4.014 -0.052 25437 3832 1 7 . 1 1 22 22 LYS CA C 22 59.816 59.816 59.499 0.317 25437 3833 1 7 . 1 1 22 22 LYS CB C 22 32.520 32.520 32.047 0.473 25437 3834 1 7 . 1 1 22 22 LYS H H 22 8.143 8.143 7.823 0.320 25437 3835 1 7 . 1 1 23 23 VAL N N 23 118.397 118.397 119.578 -1.181 25437 3836 1 7 . 1 1 23 23 VAL HA H 23 3.591 3.591 3.671 -0.080 25437 3837 1 7 . 1 1 23 23 VAL CA C 23 66.313 66.313 65.951 0.362 25437 3838 1 7 . 1 1 23 23 VAL CB C 23 31.529 31.529 30.974 0.555 25437 3839 1 7 . 1 1 23 23 VAL H H 23 7.715 7.715 7.614 0.101 25437 3840 1 7 . 1 1 24 24 ALA N N 24 121.929 121.929 122.050 -0.121 25437 3841 1 7 . 1 1 24 24 ALA HA H 24 4.024 4.024 3.547 0.477 25437 3842 1 7 . 1 1 24 24 ALA CA C 24 55.444 55.444 55.433 0.011 25437 3843 1 7 . 1 1 24 24 ALA CB C 24 18.086 18.086 18.479 -0.393 25437 3844 1 7 . 1 1 24 24 ALA H H 24 8.307 8.307 7.612 0.695 25437 3845 1 7 . 1 1 25 25 ARG N N 25 114.491 114.491 118.414 -3.923 25437 3846 1 7 . 1 1 25 25 ARG HA H 25 4.114 4.114 4.115 -0.001 25437 3847 1 7 . 1 1 25 25 ARG CA C 25 60.717 60.717 59.927 0.790 25437 3848 1 7 . 1 1 25 25 ARG CB C 25 29.257 29.257 30.226 -0.969 25437 3849 1 7 . 1 1 25 25 ARG H H 25 8.224 8.224 8.332 -0.108 25437 3850 1 7 . 1 1 26 26 ARG N N 26 119.944 119.944 119.548 0.396 25437 3851 1 7 . 1 1 26 26 ARG HA H 26 4.223 4.223 3.970 0.253 25437 3852 1 7 . 1 1 26 26 ARG CA C 26 57.097 57.097 59.050 -1.953 25437 3853 1 7 . 1 1 26 26 ARG CB C 26 28.888 28.888 30.059 -1.171 25437 3854 1 7 . 1 1 26 26 ARG H H 26 7.703 7.703 8.081 -0.378 25437 3855 1 7 . 1 1 27 27 ALA N N 27 122.041 122.041 122.780 -0.739 25437 3856 1 7 . 1 1 27 27 ALA HA H 27 3.611 3.611 3.892 -0.281 25437 3857 1 7 . 1 1 27 27 ALA CA C 27 55.249 55.249 54.892 0.357 25437 3858 1 7 . 1 1 27 27 ALA CB C 27 15.829 15.829 17.681 -1.852 25437 3859 1 7 . 1 1 27 27 ALA H H 27 8.754 8.754 8.129 0.625 25437 3860 1 7 . 1 1 28 28 LEU N N 28 117.421 117.421 117.986 -0.565 25437 3861 1 7 . 1 1 28 28 LEU HA H 28 4.053 4.053 4.164 -0.111 25437 3862 1 7 . 1 1 28 28 LEU CA C 28 57.757 57.757 58.096 -0.339 25437 3863 1 7 . 1 1 28 28 LEU CB C 28 40.351 40.351 41.996 -1.645 25437 3864 1 7 . 1 1 28 28 LEU H H 28 7.657 7.657 7.968 -0.311 25437 3865 1 7 . 1 1 29 29 GLU N N 29 114.911 114.911 117.655 -2.744 25437 3866 1 7 . 1 1 29 29 GLU HA H 29 4.023 4.023 4.121 -0.098 25437 3867 1 7 . 1 1 29 29 GLU CA C 29 58.489 58.489 57.989 0.500 25437 3868 1 7 . 1 1 29 29 GLU CB C 29 29.540 29.540 30.110 -0.570 25437 3869 1 7 . 1 1 29 29 GLU H H 29 7.039 7.039 7.417 -0.378 25437 3870 1 7 . 1 1 30 30 LEU N N 30 117.166 117.166 119.049 -1.883 25437 3871 1 7 . 1 1 30 30 LEU HA H 30 4.281 4.281 4.007 0.274 25437 3872 1 7 . 1 1 30 30 LEU CA C 30 55.266 55.266 56.695 -1.429 25437 3873 1 7 . 1 1 30 30 LEU CB C 30 44.403 44.403 42.377 2.026 25437 3874 1 7 . 1 1 30 30 LEU H H 30 7.353 7.353 8.029 -0.676 25437 3875 1 7 . 1 1 31 31 SER N N 31 116.260 116.260 114.433 1.827 25437 3876 1 7 . 1 1 31 31 SER HA H 31 4.557 4.557 4.201 0.356 25437 3877 1 7 . 1 1 31 31 SER CA C 31 55.723 55.723 57.148 -1.425 25437 3878 1 7 . 1 1 31 31 SER CB C 31 65.560 65.560 64.204 1.356 25437 3879 1 7 . 1 1 31 31 SER H H 31 7.742 7.742 7.890 -0.148 25437 3880 1 7 . 1 1 32 32 PRO HA H 32 4.609 4.609 4.242 0.367 25437 3881 1 7 . 1 1 32 32 PRO CA C 32 63.483 63.483 64.086 -0.603 25437 3882 1 7 . 1 1 32 32 PRO CB C 32 31.236 31.236 31.620 -0.384 25437 3883 1 7 . 1 1 33 33 TYR N N 33 114.714 114.714 118.596 -3.882 25437 3884 1 7 . 1 1 33 33 TYR HA H 33 4.710 4.710 4.669 0.041 25437 3885 1 7 . 1 1 33 33 TYR CA C 33 56.742 56.742 55.747 0.995 25437 3886 1 7 . 1 1 33 33 TYR CB C 33 41.506 41.506 38.862 2.644 25437 3887 1 7 . 1 1 33 33 TYR H H 33 7.727 7.727 7.022 0.705 25437 3888 1 7 . 1 1 34 34 ASP N N 34 125.197 125.197 119.505 5.692 25437 3889 1 7 . 1 1 34 34 ASP HA H 34 3.524 3.524 4.647 -1.123 25437 3890 1 7 . 1 1 34 34 ASP CA C 34 52.353 52.353 55.368 -3.015 25437 3891 1 7 . 1 1 34 34 ASP CB C 34 37.720 37.720 42.300 -4.580 25437 3892 1 7 . 1 1 34 34 ASP H H 34 8.630 8.630 8.784 -0.154 25437 3893 1 7 . 1 1 35 35 PHE N N 35 115.803 115.803 113.776 2.027 25437 3894 1 7 . 1 1 35 35 PHE HA H 35 5.131 5.131 5.462 -0.331 25437 3895 1 7 . 1 1 35 35 PHE CA C 35 55.839 55.839 56.537 -0.698 25437 3896 1 7 . 1 1 35 35 PHE CB C 35 40.751 40.751 43.010 -2.259 25437 3897 1 7 . 1 1 35 35 PHE H H 35 7.250 7.250 8.048 -0.798 25437 3898 1 7 . 1 1 36 36 THR N N 36 113.338 113.338 117.651 -4.313 25437 3899 1 7 . 1 1 36 36 THR HA H 36 4.769 4.769 4.629 0.140 25437 3900 1 7 . 1 1 36 36 THR CA C 36 58.833 58.833 60.081 -1.248 25437 3901 1 7 . 1 1 36 36 THR CB C 36 71.387 71.387 69.662 1.725 25437 3902 1 7 . 1 1 36 36 THR H H 36 9.026 9.026 8.860 0.166 25437 3903 1 7 . 1 1 37 37 ILE N N 37 124.219 124.219 128.538 -4.319 25437 3904 1 7 . 1 1 37 37 ILE HA H 37 4.676 4.676 4.264 0.412 25437 3905 1 7 . 1 1 37 37 ILE CA C 37 58.395 58.395 62.122 -3.727 25437 3906 1 7 . 1 1 37 37 ILE CB C 37 34.649 34.649 37.586 -2.937 25437 3907 1 7 . 1 1 37 37 ILE H H 37 8.476 8.476 9.008 -0.532 25437 3908 1 7 . 1 1 38 38 VAL N N 38 124.271 124.271 126.999 -2.728 25437 3909 1 7 . 1 1 38 38 VAL HA H 38 3.981 3.981 4.275 -0.294 25437 3910 1 7 . 1 1 38 38 VAL CA C 38 63.144 63.144 63.099 0.045 25437 3911 1 7 . 1 1 38 38 VAL CB C 38 32.658 32.658 32.930 -0.272 25437 3912 1 7 . 1 1 38 38 VAL H H 38 8.640 8.640 8.579 0.061 25437 3913 1 7 . 1 1 39 39 GLN N N 39 115.210 115.210 116.639 -1.429 25437 3914 1 7 . 1 1 39 39 GLN HA H 39 4.378 4.378 4.840 -0.462 25437 3915 1 7 . 1 1 39 39 GLN CA C 39 56.197 56.197 54.738 1.459 25437 3916 1 7 . 1 1 39 39 GLN CB C 39 33.463 33.463 32.540 0.923 25437 3917 1 7 . 1 1 39 39 GLN H H 39 7.305 7.305 7.812 -0.507 25437 3918 1 7 . 1 1 40 40 GLY N N 40 116.022 116.022 109.855 6.167 25437 3919 1 7 . 1 1 40 40 GLY CA C 40 45.347 45.347 45.604 -0.257 25437 3920 1 7 . 1 1 40 40 GLY H H 40 8.851 8.851 8.889 -0.038 25437 3921 1 7 . 1 1 41 41 ILE N N 41 132.358 132.358 120.270 12.088 25437 3922 1 7 . 1 1 41 41 ILE HA H 41 4.715 4.715 4.553 0.162 25437 3923 1 7 . 1 1 41 41 ILE CA C 41 61.575 61.575 58.963 2.612 25437 3924 1 7 . 1 1 41 41 ILE CB C 41 38.774 38.774 41.546 -2.772 25437 3925 1 7 . 1 1 41 41 ILE H H 41 8.776 8.776 7.919 0.857 25437 3926 1 7 . 1 1 42 42 ARG N N 42 123.358 123.358 127.555 -4.197 25437 3927 1 7 . 1 1 42 42 ARG HA H 42 4.725 4.725 4.674 0.051 25437 3928 1 7 . 1 1 42 42 ARG CA C 42 54.576 54.576 55.779 -1.203 25437 3929 1 7 . 1 1 42 42 ARG CB C 42 33.425 33.425 31.442 1.983 25437 3930 1 7 . 1 1 42 42 ARG H H 42 7.154 7.154 8.400 -1.246 25437 3931 1 7 . 1 1 43 43 THR N N 43 115.494 115.494 116.439 -0.945 25437 3932 1 7 . 1 1 43 43 THR HA H 43 4.539 4.539 4.500 0.039 25437 3933 1 7 . 1 1 43 43 THR CA C 43 61.022 61.022 60.615 0.407 25437 3934 1 7 . 1 1 43 43 THR CB C 43 70.577 70.577 69.876 0.701 25437 3935 1 7 . 1 1 43 43 THR H H 43 8.519 8.519 8.344 0.175 25437 3936 1 7 . 1 1 44 44 VAL N N 44 121.526 121.526 116.849 4.677 25437 3937 1 7 . 1 1 44 44 VAL HA H 44 3.956 3.956 4.230 -0.274 25437 3938 1 7 . 1 1 44 44 VAL CA C 44 63.977 63.977 63.943 0.034 25437 3939 1 7 . 1 1 44 44 VAL CB C 44 32.313 32.313 30.998 1.315 25437 3940 1 7 . 1 1 44 44 VAL H H 44 8.516 8.516 8.298 0.218 25437 3941 1 7 . 1 1 45 45 ALA N N 45 125.457 125.457 122.606 2.851 25437 3942 1 7 . 1 1 45 45 ALA HA H 45 4.260 4.260 4.370 -0.110 25437 3943 1 7 . 1 1 45 45 ALA CA C 45 53.278 53.278 53.538 -0.259 25437 3944 1 7 . 1 1 45 45 ALA CB C 45 18.641 18.641 19.656 -1.015 25437 3945 1 7 . 1 1 45 45 ALA H H 45 8.311 8.311 8.006 0.305 25437 3946 1 7 . 1 1 46 46 GLN N N 46 118.271 118.271 119.747 -1.476 25437 3947 1 7 . 1 1 46 46 GLN HA H 46 4.232 4.232 4.068 0.164 25437 3948 1 7 . 1 1 46 46 GLN CA C 46 56.717 56.717 59.577 -2.860 25437 3949 1 7 . 1 1 46 46 GLN CB C 46 28.901 28.901 28.730 0.171 25437 3950 1 7 . 1 1 46 46 GLN H H 46 8.109 8.109 8.500 -0.391 25437 3951 1 7 . 1 1 47 47 SER N N 47 116.127 116.127 114.821 1.306 25437 3952 1 7 . 1 1 47 47 SER HA H 47 4.361 4.361 4.254 0.107 25437 3953 1 7 . 1 1 47 47 SER CA C 47 59.082 59.082 61.074 -1.992 25437 3954 1 7 . 1 1 47 47 SER CB C 47 64.009 64.009 62.851 1.158 25437 3955 1 7 . 1 1 47 47 SER H H 47 8.199 8.199 7.885 0.314 25437 3956 1 7 . 1 1 48 48 ALA N N 48 124.628 124.628 124.754 -0.126 25437 3957 1 7 . 1 1 48 48 ALA HA H 48 4.253 4.253 4.345 -0.092 25437 3958 1 7 . 1 1 48 48 ALA CA C 48 53.325 53.325 54.161 -0.836 25437 3959 1 7 . 1 1 48 48 ALA CB C 48 18.552 18.552 18.768 -0.216 25437 3960 1 7 . 1 1 48 48 ALA H H 48 8.315 8.315 8.466 -0.151 25437 3961 1 7 . 1 1 49 49 GLN N N 49 119.160 119.160 117.096 2.064 25437 3962 1 7 . 1 1 49 49 GLN HA H 49 4.232 4.232 4.211 0.021 25437 3963 1 7 . 1 1 49 49 GLN CA C 49 56.850 56.850 57.219 -0.369 25437 3964 1 7 . 1 1 49 49 GLN CB C 49 28.992 28.992 28.480 0.512 25437 3965 1 7 . 1 1 49 49 GLN H H 49 8.153 8.153 7.948 0.205 25437 3966 1 7 . 1 1 50 50 ASN N N 50 119.112 119.112 120.485 -1.373 25437 3967 1 7 . 1 1 50 50 ASN HA H 50 4.660 4.660 4.438 0.222 25437 3968 1 7 . 1 1 50 50 ASN CA C 50 53.572 53.572 56.621 -3.049 25437 3969 1 7 . 1 1 50 50 ASN CB C 50 38.376 38.376 38.278 0.098 25437 3970 1 7 . 1 1 50 50 ASN H H 50 8.205 8.205 8.168 0.037 25437 3971 1 7 . 1 1 51 51 ILE N N 51 120.639 120.639 117.862 2.777 25437 3972 1 7 . 1 1 51 51 ILE HA H 51 4.095 4.095 4.138 -0.043 25437 3973 1 7 . 1 1 51 51 ILE CA C 51 61.954 61.954 62.252 -0.298 25437 3974 1 7 . 1 1 51 51 ILE CB C 51 38.414 38.414 36.007 2.407 25437 3975 1 7 . 1 1 51 51 ILE H H 51 7.939 7.939 7.363 0.576 25437 3976 1 7 . 1 1 52 52 ALA N N 52 126.459 126.459 123.960 2.499 25437 3977 1 7 . 1 1 52 52 ALA HA H 52 4.246 4.246 3.933 0.313 25437 3978 1 7 . 1 1 52 52 ALA CA C 52 53.189 53.189 54.773 -1.584 25437 3979 1 7 . 1 1 52 52 ALA CB C 52 18.453 18.453 18.278 0.175 25437 3980 1 7 . 1 1 52 52 ALA H H 52 8.251 8.251 8.306 -0.055 25437 3981 1 7 . 1 1 53 53 ASN N N 53 116.801 116.801 116.679 0.122 25437 3982 1 7 . 1 1 53 53 ASN HA H 53 4.648 4.648 4.565 0.083 25437 3983 1 7 . 1 1 53 53 ASN CA C 53 53.425 53.425 55.054 -1.629 25437 3984 1 7 . 1 1 53 53 ASN CB C 53 38.600 38.600 39.108 -0.508 25437 3985 1 7 . 1 1 53 53 ASN H H 53 8.230 8.230 7.764 0.466 25437 3986 1 7 . 1 1 54 54 GLY N N 54 108.549 108.549 106.231 2.318 25437 3987 1 7 . 1 1 54 54 GLY CA C 54 45.746 45.746 45.018 0.728 25437 3988 1 7 . 1 1 54 54 GLY H H 54 8.191 8.191 7.731 0.460 25437 3989 1 7 . 1 1 55 55 THR N N 55 112.528 112.528 115.189 -2.661 25437 3990 1 7 . 1 1 55 55 THR HA H 55 4.282 4.282 4.520 -0.238 25437 3991 1 7 . 1 1 55 55 THR CA C 55 62.118 62.118 61.145 0.973 25437 3992 1 7 . 1 1 55 55 THR CB C 55 69.796 69.796 69.644 0.151 25437 3993 1 7 . 1 1 55 55 THR H H 55 8.003 8.003 7.674 0.329 25437 3994 1 7 . 1 1 56 56 SER N N 56 116.986 116.986 121.388 -4.402 25437 3995 1 7 . 1 1 56 56 SER HA H 56 4.362 4.362 4.336 0.026 25437 3996 1 7 . 1 1 56 56 SER CA C 56 58.454 58.454 59.665 -1.211 25437 3997 1 7 . 1 1 56 56 SER CB C 56 63.762 63.762 63.000 0.762 25437 3998 1 7 . 1 1 56 56 SER H H 56 8.043 8.043 8.425 -0.382 25437 3999 1 7 . 1 1 57 57 PHE N N 57 121.981 121.981 122.121 -0.140 25437 4000 1 7 . 1 1 57 57 PHE HA H 57 4.579 4.579 4.271 0.308 25437 4001 1 7 . 1 1 57 57 PHE CA C 57 57.929 57.929 60.569 -2.640 25437 4002 1 7 . 1 1 57 57 PHE CB C 57 39.068 39.068 38.920 0.148 25437 4003 1 7 . 1 1 57 57 PHE H H 57 8.120 8.120 7.913 0.207 25437 4004 1 7 . 1 1 58 58 LEU N N 58 121.621 121.621 118.176 3.445 25437 4005 1 7 . 1 1 58 58 LEU HA H 58 4.174 4.174 4.491 -0.317 25437 4006 1 7 . 1 1 58 58 LEU CA C 58 55.350 55.350 53.895 1.455 25437 4007 1 7 . 1 1 58 58 LEU CB C 58 42.340 42.340 40.188 2.152 25437 4008 1 7 . 1 1 58 58 LEU H H 58 7.806 7.806 7.503 0.303 25437 4009 1 7 . 1 1 59 59 LYS N N 59 120.388 120.388 120.589 -0.201 25437 4010 1 7 . 1 1 59 59 LYS HA H 59 4.230 4.230 4.075 0.155 25437 4011 1 7 . 1 1 59 59 LYS CA C 59 55.823 55.823 57.297 -1.474 25437 4012 1 7 . 1 1 59 59 LYS CB C 59 32.616 32.616 32.734 -0.118 25437 4013 1 7 . 1 1 59 59 LYS H H 59 8.068 8.068 7.726 0.342 25437 4014 1 7 . 1 1 60 60 ASP N N 60 121.094 121.094 119.592 1.502 25437 4015 1 7 . 1 1 60 60 ASP HA H 60 4.828 4.828 4.473 0.355 25437 4016 1 7 . 1 1 60 60 ASP CA C 60 53.698 53.698 54.657 -0.959 25437 4017 1 7 . 1 1 60 60 ASP CB C 60 41.652 41.652 39.336 2.316 25437 4018 1 7 . 1 1 60 60 ASP H H 60 7.959 7.959 8.361 -0.402 25437 4019 1 7 . 1 1 61 61 PRO HA H 61 4.388 4.388 4.472 -0.084 25437 4020 1 7 . 1 1 61 61 PRO CA C 61 63.263 63.263 63.114 0.150 25437 4021 1 7 . 1 1 61 61 PRO CB C 61 31.697 31.697 32.454 -0.757 25437 4022 1 7 . 1 1 62 62 SER N N 62 115.353 115.353 115.382 -0.029 25437 4023 1 7 . 1 1 62 62 SER HA H 62 4.365 4.365 4.661 -0.296 25437 4024 1 7 . 1 1 62 62 SER CA C 62 59.258 59.258 58.047 1.211 25437 4025 1 7 . 1 1 62 62 SER CB C 62 63.634 63.634 63.457 0.177 25437 4026 1 7 . 1 1 62 62 SER H H 62 8.420 8.420 8.421 -0.001 25437 4027 1 7 . 1 1 63 63 LYS N N 63 122.360 122.360 121.552 0.808 25437 4028 1 7 . 1 1 63 63 LYS HA H 63 4.266 4.266 4.255 0.011 25437 4029 1 7 . 1 1 63 63 LYS CA C 63 56.628 56.628 57.332 -0.704 25437 4030 1 7 . 1 1 63 63 LYS CB C 63 29.327 29.327 32.799 -3.472 25437 4031 1 7 . 1 1 63 63 LYS H H 63 8.405 8.405 8.330 0.075 25437 4032 1 7 . 1 1 65 65 LYS N N 65 125.418 125.418 120.038 5.380 25437 4033 1 7 . 1 1 65 65 LYS HA H 65 4.146 4.146 4.373 -0.227 25437 4034 1 7 . 1 1 65 65 LYS CA C 65 63.350 63.350 58.805 4.545 25437 4035 1 7 . 1 1 65 65 LYS CB C 65 31.891 31.891 32.934 -1.043 25437 4036 1 7 . 1 1 65 65 LYS H H 65 8.369 8.369 8.854 -0.485 25437 4037 1 7 . 1 1 66 66 HIS N N 66 121.236 121.236 118.970 2.266 25437 4038 1 7 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.404 0.141 25437 4039 1 7 . 1 1 66 66 HIS CA C 66 59.256 59.256 59.308 -0.052 25437 4040 1 7 . 1 1 66 66 HIS CB C 66 28.619 28.619 29.209 -0.590 25437 4041 1 7 . 1 1 66 66 HIS H H 66 8.758 8.758 8.776 -0.018 25437 4042 1 7 . 1 1 67 67 ILE N N 67 120.137 120.137 120.034 0.103 25437 4043 1 7 . 1 1 67 67 ILE HA H 67 4.372 4.372 3.965 0.407 25437 4044 1 7 . 1 1 67 67 ILE CA C 67 63.961 63.961 64.040 -0.079 25437 4045 1 7 . 1 1 67 67 ILE CB C 67 37.935 37.935 36.313 1.622 25437 4046 1 7 . 1 1 67 67 ILE H H 67 7.849 7.849 8.260 -0.411 25437 4047 1 7 . 1 1 68 68 THR N N 68 104.067 104.067 108.928 -4.861 25437 4048 1 7 . 1 1 68 68 THR HA H 68 4.397 4.397 4.466 -0.069 25437 4049 1 7 . 1 1 68 68 THR CA C 68 61.343 61.343 61.673 -0.330 25437 4050 1 7 . 1 1 68 68 THR CB C 68 68.473 68.473 69.415 -0.941 25437 4051 1 7 . 1 1 68 68 THR H H 68 7.168 7.168 7.880 -0.712 25437 4052 1 7 . 1 1 69 69 GLY N N 69 107.308 107.308 109.889 -2.581 25437 4053 1 7 . 1 1 69 69 GLY CA C 69 46.665 46.665 46.151 0.514 25437 4054 1 7 . 1 1 69 69 GLY H H 69 7.169 7.169 7.817 -0.648 25437 4055 1 7 . 1 1 70 70 ASP N N 70 114.629 114.629 117.853 -3.224 25437 4056 1 7 . 1 1 70 70 ASP HA H 70 4.734 4.734 4.605 0.129 25437 4057 1 7 . 1 1 70 70 ASP CA C 70 54.627 54.627 53.643 0.984 25437 4058 1 7 . 1 1 70 70 ASP CB C 70 44.451 44.451 41.191 3.260 25437 4059 1 7 . 1 1 70 70 ASP H H 70 7.644 7.644 7.831 -0.187 25437 4060 1 7 . 1 1 71 71 ALA N N 71 118.917 118.917 119.181 -0.264 25437 4061 1 7 . 1 1 71 71 ALA HA H 71 5.062 5.062 4.973 0.089 25437 4062 1 7 . 1 1 71 71 ALA CA C 71 51.498 51.498 51.303 0.195 25437 4063 1 7 . 1 1 71 71 ALA CB C 71 21.994 21.994 21.954 0.040 25437 4064 1 7 . 1 1 71 71 ALA H H 71 7.529 7.529 7.228 0.301 25437 4065 1 7 . 1 1 72 72 ILE N N 72 110.818 110.818 113.327 -2.509 25437 4066 1 7 . 1 1 72 72 ILE HA H 72 5.249 5.249 4.453 0.796 25437 4067 1 7 . 1 1 72 72 ILE CA C 72 58.821 58.821 60.452 -1.631 25437 4068 1 7 . 1 1 72 72 ILE CB C 72 43.709 43.709 42.113 1.596 25437 4069 1 7 . 1 1 72 72 ILE H H 72 8.449 8.449 8.646 -0.197 25437 4070 1 7 . 1 1 73 73 ASP N N 73 117.790 117.790 121.409 -3.619 25437 4071 1 7 . 1 1 73 73 ASP HA H 73 6.094 6.094 5.491 0.603 25437 4072 1 7 . 1 1 73 73 ASP CA C 73 52.090 52.090 53.285 -1.195 25437 4073 1 7 . 1 1 73 73 ASP CB C 73 42.655 42.655 45.161 -2.506 25437 4074 1 7 . 1 1 73 73 ASP H H 73 8.442 8.442 8.626 -0.184 25437 4075 1 7 . 1 1 74 74 PHE N N 74 122.479 122.479 120.453 2.026 25437 4076 1 7 . 1 1 74 74 PHE HA H 74 6.173 6.173 5.483 0.690 25437 4077 1 7 . 1 1 74 74 PHE CA C 74 54.775 54.775 56.142 -1.367 25437 4078 1 7 . 1 1 74 74 PHE CB C 74 44.115 44.115 42.745 1.369 25437 4079 1 7 . 1 1 74 74 PHE H H 74 9.463 9.463 9.070 0.393 25437 4080 1 7 . 1 1 75 75 ALA N N 75 118.862 118.862 121.400 -2.538 25437 4081 1 7 . 1 1 75 75 ALA HA H 75 4.453 4.453 4.347 0.106 25437 4082 1 7 . 1 1 75 75 ALA CA C 75 50.134 50.134 48.781 1.353 25437 4083 1 7 . 1 1 75 75 ALA CB C 75 21.020 21.020 21.043 -0.023 25437 4084 1 7 . 1 1 75 75 ALA H H 75 8.575 8.575 9.132 -0.557 25437 4085 1 7 . 1 1 76 76 PRO HA H 76 4.466 4.466 4.546 -0.080 25437 4086 1 7 . 1 1 76 76 PRO CA C 76 62.353 62.353 62.759 -0.406 25437 4087 1 7 . 1 1 76 76 PRO CB C 76 32.135 32.135 30.889 1.246 25437 4088 1 7 . 1 1 77 77 TYR N N 77 126.211 126.211 126.134 0.077 25437 4089 1 7 . 1 1 77 77 TYR HA H 77 4.835 4.835 4.619 0.216 25437 4090 1 7 . 1 1 77 77 TYR CA C 77 56.830 56.830 58.877 -2.047 25437 4091 1 7 . 1 1 77 77 TYR CB C 77 40.384 40.384 40.401 -0.017 25437 4092 1 7 . 1 1 77 77 TYR H H 77 8.357 8.357 8.412 -0.055 25437 4093 1 7 . 1 1 78 78 ILE N N 78 124.613 124.613 125.549 -0.936 25437 4094 1 7 . 1 1 78 78 ILE HA H 78 4.210 4.210 4.257 -0.047 25437 4095 1 7 . 1 1 78 78 ILE CA C 78 59.941 59.941 60.421 -0.480 25437 4096 1 7 . 1 1 78 78 ILE CB C 78 40.652 40.652 41.783 -1.131 25437 4097 1 7 . 1 1 78 78 ILE H H 78 8.334 8.334 8.996 -0.662 25437 4098 1 7 . 1 1 79 79 ASN N N 79 126.361 126.361 124.404 1.957 25437 4099 1 7 . 1 1 79 79 ASN HA H 79 4.339 4.339 4.496 -0.157 25437 4100 1 7 . 1 1 79 79 ASN CA C 79 53.937 53.937 53.769 0.168 25437 4101 1 7 . 1 1 79 79 ASN CB C 79 36.887 36.887 38.121 -1.234 25437 4102 1 7 . 1 1 79 79 ASN H H 79 9.444 9.444 9.115 0.329 25437 4103 1 7 . 1 1 80 80 GLY N N 80 102.068 102.068 102.958 -0.890 25437 4104 1 7 . 1 1 80 80 GLY CA C 80 45.663 45.663 45.580 0.083 25437 4105 1 7 . 1 1 80 80 GLY H H 80 8.240 8.240 8.720 -0.480 25437 4106 1 7 . 1 1 81 81 LYS N N 81 117.260 117.260 116.395 0.865 25437 4107 1 7 . 1 1 81 81 LYS HA H 81 4.534 4.534 4.397 0.137 25437 4108 1 7 . 1 1 81 81 LYS CA C 81 54.226 54.226 53.715 0.511 25437 4109 1 7 . 1 1 81 81 LYS CB C 81 35.655 35.655 35.096 0.559 25437 4110 1 7 . 1 1 81 81 LYS H H 81 7.046 7.046 7.441 -0.395 25437 4111 1 7 . 1 1 82 82 ILE N N 82 122.347 122.347 120.019 2.328 25437 4112 1 7 . 1 1 82 82 ILE HA H 82 4.091 4.091 3.391 0.700 25437 4113 1 7 . 1 1 82 82 ILE CA C 82 62.621 62.621 62.070 0.551 25437 4114 1 7 . 1 1 82 82 ILE CB C 82 37.833 37.833 37.860 -0.027 25437 4115 1 7 . 1 1 82 82 ILE H H 82 8.418 8.418 8.238 0.180 25437 4116 1 7 . 1 1 83 83 ASP N N 83 128.498 128.498 127.434 1.064 25437 4117 1 7 . 1 1 83 83 ASP HA H 83 4.808 4.808 4.764 0.044 25437 4118 1 7 . 1 1 83 83 ASP CA C 83 51.619 51.619 53.209 -1.590 25437 4119 1 7 . 1 1 83 83 ASP CB C 83 41.079 41.079 39.971 1.108 25437 4120 1 7 . 1 1 83 83 ASP H H 83 8.028 8.028 8.203 -0.175 25437 4121 1 7 . 1 1 84 84 TRP N N 84 121.807 121.807 122.413 -0.606 25437 4122 1 7 . 1 1 84 84 TRP HA H 84 4.574 4.574 4.650 -0.076 25437 4123 1 7 . 1 1 84 84 TRP CA C 84 58.456 58.456 58.636 -0.180 25437 4124 1 7 . 1 1 84 84 TRP CB C 84 30.177 30.177 30.257 -0.080 25437 4125 1 7 . 1 1 84 84 TRP H H 84 8.081 8.081 7.977 0.104 25437 4126 1 7 . 1 1 85 85 ASN N N 85 113.227 113.227 115.214 -1.987 25437 4127 1 7 . 1 1 85 85 ASN HA H 85 4.975 4.975 4.884 0.091 25437 4128 1 7 . 1 1 85 85 ASN CA C 85 53.430 53.430 53.342 0.088 25437 4129 1 7 . 1 1 85 85 ASN CB C 85 40.162 40.162 39.655 0.507 25437 4130 1 7 . 1 1 85 85 ASN H H 85 8.386 8.386 8.203 0.183 25437 4131 1 7 . 1 1 86 86 ASP N N 86 118.821 118.821 120.800 -1.979 25437 4132 1 7 . 1 1 86 86 ASP HA H 86 4.813 4.813 4.789 0.024 25437 4133 1 7 . 1 1 86 86 ASP CA C 86 52.255 52.255 52.653 -0.398 25437 4134 1 7 . 1 1 86 86 ASP CB C 86 37.613 37.613 40.237 -2.624 25437 4135 1 7 . 1 1 86 86 ASP H H 86 7.405 7.405 7.923 -0.518 25437 4136 1 7 . 1 1 87 87 LEU N N 87 127.177 127.177 123.959 3.218 25437 4137 1 7 . 1 1 87 87 LEU HA H 87 4.055 4.055 4.228 -0.173 25437 4138 1 7 . 1 1 87 87 LEU CA C 87 58.321 58.321 56.578 1.742 25437 4139 1 7 . 1 1 87 87 LEU CB C 87 40.887 40.887 42.447 -1.560 25437 4140 1 7 . 1 1 87 87 LEU H H 87 8.274 8.274 8.547 -0.273 25437 4141 1 7 . 1 1 88 88 GLU N N 88 114.132 114.132 120.205 -6.073 25437 4142 1 7 . 1 1 88 88 GLU HA H 88 3.938 3.938 4.017 -0.079 25437 4143 1 7 . 1 1 88 88 GLU CA C 88 59.437 59.437 59.663 -0.226 25437 4144 1 7 . 1 1 88 88 GLU CB C 88 27.987 27.987 29.479 -1.492 25437 4145 1 7 . 1 1 88 88 GLU H H 88 8.257 8.257 8.124 0.133 25437 4146 1 7 . 1 1 89 89 ALA N N 89 122.075 122.075 120.434 1.641 25437 4147 1 7 . 1 1 89 89 ALA HA H 89 3.799 3.799 4.321 -0.522 25437 4148 1 7 . 1 1 89 89 ALA CA C 89 54.703 54.703 54.576 0.127 25437 4149 1 7 . 1 1 89 89 ALA CB C 89 17.635 17.635 18.004 -0.369 25437 4150 1 7 . 1 1 89 89 ALA H H 89 7.418 7.418 7.792 -0.374 25437 4151 1 7 . 1 1 90 90 PHE N N 90 116.551 116.551 119.664 -3.113 25437 4152 1 7 . 1 1 90 90 PHE HA H 90 4.025 4.025 4.301 -0.276 25437 4153 1 7 . 1 1 90 90 PHE CA C 90 64.150 64.150 61.121 3.029 25437 4154 1 7 . 1 1 90 90 PHE CB C 90 38.965 38.965 38.974 -0.009 25437 4155 1 7 . 1 1 90 90 PHE H H 90 7.777 7.777 7.526 0.251 25437 4156 1 7 . 1 1 91 91 TRP N N 91 119.390 119.390 120.324 -0.934 25437 4157 1 7 . 1 1 91 91 TRP HA H 91 4.578 4.578 4.330 0.248 25437 4158 1 7 . 1 1 91 91 TRP CA C 91 59.217 59.217 61.432 -2.215 25437 4159 1 7 . 1 1 91 91 TRP CB C 91 29.802 29.802 28.919 0.883 25437 4160 1 7 . 1 1 91 91 TRP H H 91 7.821 7.821 8.150 -0.329 25437 4161 1 7 . 1 1 92 92 ALA N N 92 121.275 121.275 121.191 0.084 25437 4162 1 7 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.116 0.008 25437 4163 1 7 . 1 1 92 92 ALA CA C 92 55.229 55.229 54.720 0.509 25437 4164 1 7 . 1 1 92 92 ALA CB C 92 18.870 18.870 18.334 0.536 25437 4165 1 7 . 1 1 92 92 ALA H H 92 8.242 8.242 7.334 0.908 25437 4166 1 7 . 1 1 93 93 VAL N N 93 120.454 120.454 118.991 1.463 25437 4167 1 7 . 1 1 93 93 VAL HA H 93 3.600 3.600 3.774 -0.174 25437 4168 1 7 . 1 1 93 93 VAL CA C 93 66.424 66.424 64.710 1.714 25437 4169 1 7 . 1 1 93 93 VAL CB C 93 30.676 30.676 31.430 -0.754 25437 4170 1 7 . 1 1 93 93 VAL H H 93 8.259 8.259 7.848 0.411 25437 4171 1 7 . 1 1 94 94 LYS N N 94 122.098 122.098 120.591 1.507 25437 4172 1 7 . 1 1 94 94 LYS HA H 94 3.690 3.690 3.887 -0.197 25437 4173 1 7 . 1 1 94 94 LYS CA C 94 60.959 60.959 60.412 0.547 25437 4174 1 7 . 1 1 94 94 LYS CB C 94 31.484 31.484 32.196 -0.712 25437 4175 1 7 . 1 1 94 94 LYS H H 94 8.382 8.382 8.764 -0.382 25437 4176 1 7 . 1 1 95 95 LYS N N 95 118.030 118.030 118.480 -0.450 25437 4177 1 7 . 1 1 95 95 LYS HA H 95 3.958 3.958 4.267 -0.309 25437 4178 1 7 . 1 1 95 95 LYS CA C 95 59.212 59.212 59.279 -0.066 25437 4179 1 7 . 1 1 95 95 LYS CB C 95 31.219 31.219 32.105 -0.886 25437 4180 1 7 . 1 1 95 95 LYS H H 95 7.957 7.957 7.498 0.459 25437 4181 1 7 . 1 1 96 96 ALA N N 96 124.359 124.359 121.141 3.218 25437 4182 1 7 . 1 1 96 96 ALA HA H 96 4.229 4.229 4.087 0.142 25437 4183 1 7 . 1 1 96 96 ALA CA C 96 55.422 55.422 54.811 0.611 25437 4184 1 7 . 1 1 96 96 ALA CB C 96 17.148 17.148 18.292 -1.144 25437 4185 1 7 . 1 1 96 96 ALA H H 96 7.668 7.668 7.442 0.226 25437 4186 1 7 . 1 1 97 97 PHE N N 97 117.446 117.446 119.262 -1.816 25437 4187 1 7 . 1 1 97 97 PHE HA H 97 3.883 3.883 4.124 -0.241 25437 4188 1 7 . 1 1 97 97 PHE CA C 97 63.187 63.187 62.275 0.912 25437 4189 1 7 . 1 1 97 97 PHE CB C 97 40.401 40.401 39.320 1.081 25437 4190 1 7 . 1 1 97 97 PHE H H 97 8.369 8.369 8.136 0.233 25437 4191 1 7 . 1 1 98 98 GLU N N 98 119.148 119.148 118.078 1.070 25437 4192 1 7 . 1 1 98 98 GLU HA H 98 4.140 4.140 3.964 0.176 25437 4193 1 7 . 1 1 98 98 GLU CA C 98 59.610 59.610 59.028 0.582 25437 4194 1 7 . 1 1 98 98 GLU CB C 98 29.444 29.444 29.033 0.411 25437 4195 1 7 . 1 1 98 98 GLU H H 98 8.821 8.821 8.181 0.640 25437 4196 1 7 . 1 1 99 99 GLN N N 99 120.727 120.727 118.409 2.318 25437 4197 1 7 . 1 1 99 99 GLN HA H 99 4.061 4.061 4.176 -0.115 25437 4198 1 7 . 1 1 99 99 GLN CA C 99 59.130 59.130 58.119 1.011 25437 4199 1 7 . 1 1 99 99 GLN CB C 99 27.524 27.524 28.630 -1.105 25437 4200 1 7 . 1 1 99 99 GLN H H 99 8.436 8.436 8.028 0.408 25437 4201 1 7 . 1 1 100 100 ALA N N 100 122.603 122.603 121.784 0.819 25437 4202 1 7 . 1 1 100 100 ALA HA H 100 3.886 3.886 4.434 -0.548 25437 4203 1 7 . 1 1 100 100 ALA CA C 100 55.399 55.399 54.313 1.086 25437 4204 1 7 . 1 1 100 100 ALA CB C 100 19.472 19.472 18.273 1.199 25437 4205 1 7 . 1 1 100 100 ALA H H 100 8.433 8.433 8.094 0.339 25437 4206 1 7 . 1 1 101 101 GLY N N 101 104.253 104.253 106.643 -2.390 25437 4207 1 7 . 1 1 101 101 GLY CA C 101 47.843 47.843 46.696 1.147 25437 4208 1 7 . 1 1 101 101 GLY H H 101 9.035 9.035 8.147 0.888 25437 4209 1 7 . 1 1 102 102 LYS N N 102 121.912 121.912 121.493 0.419 25437 4210 1 7 . 1 1 102 102 LYS HA H 102 4.116 4.116 4.094 0.022 25437 4211 1 7 . 1 1 102 102 LYS CA C 102 59.314 59.314 58.880 0.434 25437 4212 1 7 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.139 0.040 25437 4213 1 7 . 1 1 102 102 LYS H H 102 7.928 7.928 7.467 0.461 25437 4214 1 7 . 1 1 103 103 GLU N N 103 119.382 119.382 119.054 0.328 25437 4215 1 7 . 1 1 103 103 GLU HA H 103 3.989 3.989 4.188 -0.199 25437 4216 1 7 . 1 1 103 103 GLU CA C 103 59.093 59.093 58.301 0.792 25437 4217 1 7 . 1 1 103 103 GLU CB C 103 30.127 30.127 29.585 0.542 25437 4218 1 7 . 1 1 103 103 GLU H H 103 8.406 8.406 7.683 0.723 25437 4219 1 7 . 1 1 104 104 LEU N N 104 115.551 115.551 119.173 -3.622 25437 4220 1 7 . 1 1 104 104 LEU HA H 104 4.360 4.360 4.358 0.002 25437 4221 1 7 . 1 1 104 104 LEU CA C 104 55.185 55.185 55.471 -0.286 25437 4222 1 7 . 1 1 104 104 LEU CB C 104 43.105 43.105 42.362 0.743 25437 4223 1 7 . 1 1 104 104 LEU H H 104 7.999 7.999 8.199 -0.200 25437 4224 1 7 . 1 1 105 105 GLY N N 105 110.561 110.561 107.015 3.546 25437 4225 1 7 . 1 1 105 105 GLY CA C 105 46.480 46.480 45.950 0.530 25437 4226 1 7 . 1 1 105 105 GLY H H 105 7.898 7.898 7.638 0.260 25437 4227 1 7 . 1 1 106 106 ILE N N 106 121.745 121.745 121.297 0.448 25437 4228 1 7 . 1 1 106 106 ILE HA H 106 4.227 4.227 4.042 0.185 25437 4229 1 7 . 1 1 106 106 ILE CA C 106 59.717 59.717 60.652 -0.935 25437 4230 1 7 . 1 1 106 106 ILE CB C 106 41.096 41.096 39.068 2.028 25437 4231 1 7 . 1 1 106 106 ILE H H 106 8.428 8.428 7.298 1.130 25437 4232 1 7 . 1 1 107 107 LYS N N 107 127.736 127.736 126.579 1.157 25437 4233 1 7 . 1 1 107 107 LYS HA H 107 4.275 4.275 4.182 0.093 25437 4234 1 7 . 1 1 107 107 LYS CA C 107 57.224 57.224 57.820 -0.596 25437 4235 1 7 . 1 1 107 107 LYS CB C 107 32.752 32.752 32.945 -0.193 25437 4236 1 7 . 1 1 107 107 LYS H H 107 8.489 8.489 8.507 -0.018 25437 4237 1 7 . 1 1 108 108 LEU N N 108 122.881 122.881 121.528 1.353 25437 4238 1 7 . 1 1 108 108 LEU HA H 108 5.235 5.235 4.411 0.824 25437 4239 1 7 . 1 1 108 108 LEU CA C 108 53.287 53.287 54.844 -1.557 25437 4240 1 7 . 1 1 108 108 LEU CB C 108 47.016 47.016 44.356 2.660 25437 4241 1 7 . 1 1 108 108 LEU H H 108 8.049 8.049 8.049 0.000 25437 4242 1 7 . 1 1 109 109 ARG N N 109 120.726 120.726 123.640 -2.914 25437 4243 1 7 . 1 1 109 109 ARG HA H 109 4.438 4.438 4.021 0.417 25437 4244 1 7 . 1 1 109 109 ARG CA C 109 55.193 55.193 55.439 -0.246 25437 4245 1 7 . 1 1 109 109 ARG CB C 109 33.519 33.519 34.962 -1.443 25437 4246 1 7 . 1 1 109 109 ARG H H 109 8.736 8.736 7.957 0.779 25437 4247 1 7 . 1 1 110 110 PHE N N 110 121.516 121.516 118.628 2.888 25437 4248 1 7 . 1 1 110 110 PHE HA H 110 5.303 5.303 5.018 0.285 25437 4249 1 7 . 1 1 110 110 PHE CA C 110 56.644 56.644 56.248 0.396 25437 4250 1 7 . 1 1 110 110 PHE CB C 110 40.602 40.602 39.806 0.796 25437 4251 1 7 . 1 1 110 110 PHE H H 110 8.707 8.707 8.365 0.342 25437 4252 1 7 . 1 1 111 111 GLY N N 111 108.992 108.992 111.740 -2.748 25437 4253 1 7 . 1 1 111 111 GLY CA C 111 45.604 45.604 45.099 0.505 25437 4254 1 7 . 1 1 111 111 GLY H H 111 7.819 7.819 8.902 -1.083 25437 4255 1 7 . 1 1 112 112 ALA N N 112 111.448 111.448 126.580 -15.132 25437 4256 1 7 . 1 1 112 112 ALA HA H 112 3.858 3.858 4.502 -0.644 25437 4257 1 7 . 1 1 112 112 ALA CA C 112 52.083 52.083 52.664 -0.581 25437 4258 1 7 . 1 1 112 112 ALA CB C 112 18.655 18.655 20.043 -1.387 25437 4259 1 7 . 1 1 112 112 ALA H H 112 7.945 7.945 8.002 -0.057 25437 4260 1 7 . 1 1 113 113 ASP N N 113 106.770 106.770 120.692 -13.922 25437 4261 1 7 . 1 1 113 113 ASP HA H 113 5.157 5.157 4.291 0.866 25437 4262 1 7 . 1 1 113 113 ASP CA C 113 52.285 52.285 57.963 -5.678 25437 4263 1 7 . 1 1 113 113 ASP CB C 113 41.465 41.465 40.643 0.822 25437 4264 1 7 . 1 1 113 113 ASP H H 113 7.000 7.000 8.855 -1.855 25437 4265 1 7 . 1 1 114 114 TRP N N 114 119.829 119.829 118.900 0.929 25437 4266 1 7 . 1 1 114 114 TRP HA H 114 4.184 4.184 4.270 -0.086 25437 4267 1 7 . 1 1 114 114 TRP CA C 114 61.455 61.455 60.258 1.197 25437 4268 1 7 . 1 1 114 114 TRP CB C 114 26.427 26.427 29.104 -2.676 25437 4269 1 7 . 1 1 114 114 TRP H H 114 7.589 7.589 8.153 -0.564 25437 4270 1 7 . 1 1 115 115 ASN N N 115 117.900 117.900 118.281 -0.381 25437 4271 1 7 . 1 1 115 115 ASN HA H 115 4.548 4.548 4.637 -0.089 25437 4272 1 7 . 1 1 115 115 ASN CA C 115 55.955 55.955 54.961 0.994 25437 4273 1 7 . 1 1 115 115 ASN CB C 115 36.818 36.818 38.206 -1.388 25437 4274 1 7 . 1 1 115 115 ASN H H 115 9.503 9.503 7.978 1.525 25437 4275 1 7 . 1 1 116 116 ALA N N 116 123.758 123.758 121.866 1.892 25437 4276 1 7 . 1 1 116 116 ALA HA H 116 4.181 4.181 3.961 0.220 25437 4277 1 7 . 1 1 116 116 ALA CA C 116 53.111 53.111 54.106 -0.995 25437 4278 1 7 . 1 1 116 116 ALA CB C 116 16.596 16.596 17.849 -1.253 25437 4279 1 7 . 1 1 116 116 ALA H H 116 8.079 8.079 7.453 0.626 25437 4280 1 7 . 1 1 117 117 SER N N 117 116.009 116.009 113.657 2.352 25437 4281 1 7 . 1 1 117 117 SER HA H 117 4.417 4.417 4.174 0.243 25437 4282 1 7 . 1 1 117 117 SER CA C 117 59.433 59.433 60.422 -0.989 25437 4283 1 7 . 1 1 117 117 SER CB C 117 65.026 65.026 63.415 1.611 25437 4284 1 7 . 1 1 117 117 SER H H 117 9.460 9.460 7.684 1.776 25437 4285 1 7 . 1 1 118 118 GLY N N 118 115.031 115.031 108.983 6.048 25437 4286 1 7 . 1 1 118 118 GLY CA C 118 45.197 45.197 45.069 0.128 25437 4287 1 7 . 1 1 118 118 GLY H H 118 10.733 10.733 7.826 2.907 25437 4288 1 7 . 1 1 119 119 ASP N N 119 116.435 116.435 120.620 -4.185 25437 4289 1 7 . 1 1 119 119 ASP HA H 119 4.590 4.590 4.687 -0.097 25437 4290 1 7 . 1 1 119 119 ASP CA C 119 53.181 53.181 54.234 -1.054 25437 4291 1 7 . 1 1 119 119 ASP CB C 119 43.864 43.864 41.341 2.523 25437 4292 1 7 . 1 1 119 119 ASP H H 119 7.770 7.770 7.854 -0.084 25437 4293 1 7 . 1 1 120 120 TYR N N 120 120.253 120.253 119.922 0.331 25437 4294 1 7 . 1 1 120 120 TYR HA H 120 6.088 6.088 4.343 1.745 25437 4295 1 7 . 1 1 120 120 TYR CA C 120 56.003 56.003 58.435 -2.432 25437 4296 1 7 . 1 1 120 120 TYR CB C 120 40.371 40.371 39.966 0.405 25437 4297 1 7 . 1 1 120 120 TYR H H 120 6.801 6.801 8.400 -1.599 25437 4298 1 7 . 1 1 121 121 HIS HA H 121 4.537 4.537 4.257 0.280 25437 4299 1 7 . 1 1 121 121 HIS CA C 121 59.002 59.002 59.076 -0.074 25437 4300 1 7 . 1 1 121 121 HIS CB C 121 27.950 27.950 29.705 -1.755 25437 4301 1 7 . 1 1 122 122 ASP N N 122 111.622 111.622 116.173 -4.551 25437 4302 1 7 . 1 1 122 122 ASP HA H 122 4.815 4.815 4.491 0.324 25437 4303 1 7 . 1 1 122 122 ASP CA C 122 51.612 51.612 55.021 -3.409 25437 4304 1 7 . 1 1 122 122 ASP CB C 122 36.980 36.980 41.445 -4.465 25437 4305 1 7 . 1 1 122 122 ASP H H 122 8.154 8.154 7.569 0.585 25437 4306 1 7 . 1 1 124 124 ILE N N 124 119.763 119.763 117.455 2.308 25437 4307 1 7 . 1 1 124 124 ILE HA H 124 3.843 3.843 3.877 -0.034 25437 4308 1 7 . 1 1 124 124 ILE CA C 124 64.714 64.714 63.456 1.258 25437 4309 1 7 . 1 1 124 124 ILE CB C 124 36.859 36.859 37.814 -0.955 25437 4310 1 7 . 1 1 124 124 ILE H H 124 7.639 7.639 8.423 -0.784 25437 4311 1 7 . 1 1 125 125 LYS N N 125 121.010 121.010 117.794 3.216 25437 4312 1 7 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.154 -0.045 25437 4313 1 7 . 1 1 125 125 LYS CA C 125 59.241 59.241 57.787 1.454 25437 4314 1 7 . 1 1 125 125 LYS CB C 125 31.985 31.985 31.827 0.158 25437 4315 1 7 . 1 1 125 125 LYS H H 125 7.739 7.739 8.229 -0.490 25437 4316 1 7 . 1 1 126 126 ARG N N 126 115.276 115.276 117.012 -1.736 25437 4317 1 7 . 1 1 126 126 ARG HA H 126 4.338 4.338 4.425 -0.087 25437 4318 1 7 . 1 1 126 126 ARG CA C 126 57.189 57.189 55.982 1.207 25437 4319 1 7 . 1 1 126 126 ARG CB C 126 31.015 31.015 31.649 -0.634 25437 4320 1 7 . 1 1 126 126 ARG H H 126 7.904 7.904 7.343 0.561 25437 4321 1 7 . 1 1 127 127 GLY N N 127 107.767 107.767 109.541 -1.774 25437 4322 1 7 . 1 1 127 127 GLY CA C 127 45.822 45.822 45.852 -0.030 25437 4323 1 7 . 1 1 127 127 GLY H H 127 7.912 7.912 8.371 -0.459 25437 4324 1 7 . 1 1 128 128 THR N N 128 107.570 107.570 112.389 -4.819 25437 4325 1 7 . 1 1 128 128 THR HA H 128 4.252 4.252 4.400 -0.148 25437 4326 1 7 . 1 1 128 128 THR CA C 128 60.620 60.620 60.425 0.195 25437 4327 1 7 . 1 1 128 128 THR CB C 128 69.224 69.224 70.248 -1.024 25437 4328 1 7 . 1 1 128 128 THR H H 128 8.121 8.121 7.474 0.647 25437 4329 1 7 . 1 1 129 129 TYR N N 129 123.143 123.143 122.328 0.815 25437 4330 1 7 . 1 1 129 129 TYR HA H 129 4.173 4.173 4.680 -0.507 25437 4331 1 7 . 1 1 129 129 TYR CA C 129 61.448 61.448 57.712 3.736 25437 4332 1 7 . 1 1 129 129 TYR CB C 129 38.796 38.796 38.830 -0.034 25437 4333 1 7 . 1 1 129 129 TYR H H 129 7.209 7.209 8.721 -1.512 25437 4334 1 7 . 1 1 130 130 ASP N N 130 117.930 117.930 122.379 -4.449 25437 4335 1 7 . 1 1 130 130 ASP HA H 130 4.641 4.641 4.427 0.214 25437 4336 1 7 . 1 1 130 130 ASP CA C 130 53.440 53.440 55.878 -2.438 25437 4337 1 7 . 1 1 130 130 ASP CB C 130 43.221 43.221 39.989 3.232 25437 4338 1 7 . 1 1 130 130 ASP H H 130 8.216 8.216 7.407 0.809 25437 4339 1 7 . 1 1 132 132 GLY N N 132 107.481 107.481 111.046 -3.565 25437 4340 1 7 . 1 1 132 132 GLY CA C 132 44.013 44.013 45.098 -1.085 25437 4341 1 7 . 1 1 132 132 GLY H H 132 8.304 8.304 7.337 0.967 25437 4342 1 7 . 1 1 133 133 HIS N N 133 117.609 117.609 121.306 -3.697 25437 4343 1 7 . 1 1 133 133 HIS HA H 133 5.430 5.430 4.620 0.810 25437 4344 1 7 . 1 1 133 133 HIS CA C 133 57.155 57.155 57.075 0.080 25437 4345 1 7 . 1 1 133 133 HIS CB C 133 31.667 31.667 29.817 1.850 25437 4346 1 7 . 1 1 133 133 HIS H H 133 6.942 6.942 7.294 -0.352 25437 4347 1 7 . 1 1 134 134 VAL N N 134 133.201 133.201 122.154 11.047 25437 4348 1 7 . 1 1 134 134 VAL HA H 134 4.254 4.254 5.087 -0.833 25437 4349 1 7 . 1 1 134 134 VAL CA C 134 61.676 61.676 59.899 1.777 25437 4350 1 7 . 1 1 134 134 VAL CB C 134 34.775 34.775 33.370 1.405 25437 4351 1 7 . 1 1 134 134 VAL H H 134 9.127 9.127 8.053 1.074 25437 4352 1 7 . 1 1 135 135 GLU N N 135 119.904 119.904 123.793 -3.889 25437 4353 1 7 . 1 1 135 135 GLU HA H 135 5.458 5.458 5.026 0.432 25437 4354 1 7 . 1 1 135 135 GLU CA C 135 52.126 52.126 53.345 -1.219 25437 4355 1 7 . 1 1 135 135 GLU CB C 135 34.550 34.550 32.842 1.708 25437 4356 1 7 . 1 1 135 135 GLU H H 135 8.501 8.501 8.053 0.448 25437 4357 1 7 . 1 1 136 136 LEU N N 136 119.357 119.357 122.421 -3.064 25437 4358 1 7 . 1 1 136 136 LEU HA H 136 4.432 4.432 4.259 0.173 25437 4359 1 7 . 1 1 136 136 LEU CA C 136 54.772 54.772 56.333 -1.561 25437 4360 1 7 . 1 1 136 136 LEU CB C 136 42.524 42.524 42.494 0.030 25437 4361 1 7 . 1 1 136 136 LEU H H 136 8.280 8.280 8.622 -0.342 25437 4362 1 8 . 1 1 3 3 PHE N N 3 121.785 121.785 119.067 2.718 25437 4363 1 8 . 1 1 3 3 PHE HA H 3 4.792 4.792 4.346 0.446 25437 4364 1 8 . 1 1 3 3 PHE CA C 3 56.407 56.407 57.746 -1.339 25437 4365 1 8 . 1 1 3 3 PHE CB C 3 40.111 40.111 40.052 0.059 25437 4366 1 8 . 1 1 3 3 PHE H H 3 8.534 8.534 7.944 0.590 25437 4367 1 8 . 1 1 4 4 LYS N N 4 119.409 119.409 120.307 -0.898 25437 4368 1 8 . 1 1 4 4 LYS HA H 4 4.452 4.452 4.022 0.430 25437 4369 1 8 . 1 1 4 4 LYS CA C 4 54.774 54.774 53.899 0.875 25437 4370 1 8 . 1 1 4 4 LYS CB C 4 35.710 35.710 35.090 0.620 25437 4371 1 8 . 1 1 4 4 LYS H H 4 8.367 8.367 7.186 1.181 25437 4372 1 8 . 1 1 5 5 PHE N N 5 124.495 124.495 120.290 4.205 25437 4373 1 8 . 1 1 5 5 PHE HA H 5 4.873 4.873 4.531 0.342 25437 4374 1 8 . 1 1 5 5 PHE CA C 5 58.636 58.636 57.855 0.781 25437 4375 1 8 . 1 1 5 5 PHE CB C 5 39.217 39.217 39.053 0.164 25437 4376 1 8 . 1 1 5 5 PHE H H 5 8.603 8.603 7.721 0.882 25437 4377 1 8 . 1 1 6 6 GLY N N 6 108.622 108.622 111.653 -3.031 25437 4378 1 8 . 1 1 6 6 GLY CA C 6 43.819 43.819 44.674 -0.855 25437 4379 1 8 . 1 1 6 6 GLY H H 6 8.559 8.559 8.481 0.078 25437 4380 1 8 . 1 1 7 7 LYS N N 7 119.341 119.341 120.191 -0.850 25437 4381 1 8 . 1 1 7 7 LYS HA H 7 3.958 3.958 4.069 -0.111 25437 4382 1 8 . 1 1 7 7 LYS CA C 7 60.087 60.087 59.340 0.747 25437 4383 1 8 . 1 1 7 7 LYS CB C 7 32.399 32.399 32.450 -0.051 25437 4384 1 8 . 1 1 7 7 LYS H H 7 8.692 8.692 8.636 0.056 25437 4385 1 8 . 1 1 8 8 ASN N N 8 118.555 118.555 116.846 1.709 25437 4386 1 8 . 1 1 8 8 ASN HA H 8 4.551 4.551 4.643 -0.092 25437 4387 1 8 . 1 1 8 8 ASN CA C 8 56.776 56.776 55.947 0.829 25437 4388 1 8 . 1 1 8 8 ASN CB C 8 36.961 36.961 38.004 -1.043 25437 4389 1 8 . 1 1 8 8 ASN H H 8 9.185 9.185 8.524 0.661 25437 4390 1 8 . 1 1 9 9 SER N N 9 118.632 118.632 117.210 1.422 25437 4391 1 8 . 1 1 9 9 SER HA H 9 4.283 4.283 4.247 0.036 25437 4392 1 8 . 1 1 9 9 SER CA C 9 62.790 62.790 61.023 1.767 25437 4393 1 8 . 1 1 9 9 SER CB C 9 62.790 62.790 62.988 -0.198 25437 4394 1 8 . 1 1 9 9 SER H H 9 8.076 8.076 8.098 -0.022 25437 4395 1 8 . 1 1 10 10 GLU N N 10 120.882 120.882 120.547 0.335 25437 4396 1 8 . 1 1 10 10 GLU HA H 10 3.977 3.977 4.003 -0.026 25437 4397 1 8 . 1 1 10 10 GLU CA C 10 59.409 59.409 59.822 -0.413 25437 4398 1 8 . 1 1 10 10 GLU CB C 10 28.556 28.556 29.628 -1.073 25437 4399 1 8 . 1 1 10 10 GLU H H 10 8.351 8.351 8.139 0.212 25437 4400 1 8 . 1 1 11 11 LYS N N 11 120.030 120.030 118.068 1.962 25437 4401 1 8 . 1 1 11 11 LYS HA H 11 4.056 4.056 4.105 -0.049 25437 4402 1 8 . 1 1 11 11 LYS CA C 11 59.477 59.477 58.714 0.763 25437 4403 1 8 . 1 1 11 11 LYS CB C 11 32.032 32.032 31.939 0.093 25437 4404 1 8 . 1 1 11 11 LYS H H 11 7.937 7.937 7.386 0.551 25437 4405 1 8 . 1 1 12 12 GLN N N 12 114.749 114.749 120.025 -5.276 25437 4406 1 8 . 1 1 12 12 GLN HA H 12 4.147 4.147 4.096 0.051 25437 4407 1 8 . 1 1 12 12 GLN CA C 12 57.373 57.373 59.132 -1.759 25437 4408 1 8 . 1 1 12 12 GLN CB C 12 28.511 28.511 28.741 -0.231 25437 4409 1 8 . 1 1 12 12 GLN H H 12 7.562 7.562 8.063 -0.501 25437 4410 1 8 . 1 1 13 13 LEU N N 13 121.751 121.751 118.168 3.583 25437 4411 1 8 . 1 1 13 13 LEU HA H 13 3.880 3.880 4.233 -0.353 25437 4412 1 8 . 1 1 13 13 LEU CA C 13 57.080 57.080 56.107 0.973 25437 4413 1 8 . 1 1 13 13 LEU CB C 13 42.413 42.413 40.346 2.067 25437 4414 1 8 . 1 1 13 13 LEU H H 13 8.725 8.725 8.058 0.667 25437 4415 1 8 . 1 1 14 14 ALA N N 14 116.323 116.323 119.803 -3.480 25437 4416 1 8 . 1 1 14 14 ALA HA H 14 4.070 4.070 4.250 -0.180 25437 4417 1 8 . 1 1 14 14 ALA CA C 14 53.706 53.706 53.767 -0.061 25437 4418 1 8 . 1 1 14 14 ALA CB C 14 18.020 18.020 18.867 -0.847 25437 4419 1 8 . 1 1 14 14 ALA H H 14 7.574 7.574 7.408 0.166 25437 4420 1 8 . 1 1 15 15 THR N N 15 104.034 104.034 110.792 -6.758 25437 4421 1 8 . 1 1 15 15 THR HA H 15 4.431 4.431 4.378 0.053 25437 4422 1 8 . 1 1 15 15 THR CA C 15 62.381 62.381 61.740 0.641 25437 4423 1 8 . 1 1 15 15 THR CB C 15 70.327 70.327 69.816 0.511 25437 4424 1 8 . 1 1 15 15 THR H H 15 7.326 7.326 7.374 -0.048 25437 4425 1 8 . 1 1 16 16 VAL N N 16 112.438 112.438 123.342 -10.904 25437 4426 1 8 . 1 1 16 16 VAL HA H 16 4.922 4.922 3.873 1.049 25437 4427 1 8 . 1 1 16 16 VAL CA C 16 59.661 59.661 63.581 -3.920 25437 4428 1 8 . 1 1 16 16 VAL CB C 16 32.989 32.989 33.172 -0.183 25437 4429 1 8 . 1 1 16 16 VAL H H 16 7.164 7.164 7.203 -0.039 25437 4430 1 8 . 1 1 17 17 LYS N N 17 120.729 120.729 129.476 -8.747 25437 4431 1 8 . 1 1 17 17 LYS HA H 17 4.230 4.230 4.323 -0.093 25437 4432 1 8 . 1 1 17 17 LYS CA C 17 55.486 55.486 57.965 -2.479 25437 4433 1 8 . 1 1 17 17 LYS CB C 17 32.079 32.079 30.663 1.416 25437 4434 1 8 . 1 1 17 17 LYS H H 17 8.907 8.907 8.648 0.259 25437 4435 1 8 . 1 1 18 18 PRO HA H 18 4.130 4.130 4.438 -0.308 25437 4436 1 8 . 1 1 18 18 PRO CA C 18 65.813 65.813 63.111 2.702 25437 4437 1 8 . 1 1 18 18 PRO CB C 18 31.864 31.864 31.975 -0.111 25437 4438 1 8 . 1 1 19 19 GLU N N 19 117.608 117.608 117.474 0.134 25437 4439 1 8 . 1 1 19 19 GLU HA H 19 4.011 4.011 4.431 -0.420 25437 4440 1 8 . 1 1 19 19 GLU CA C 19 61.031 61.031 56.479 4.552 25437 4441 1 8 . 1 1 19 19 GLU CB C 19 29.117 29.117 29.326 -0.209 25437 4442 1 8 . 1 1 19 19 GLU H H 19 9.714 9.714 8.700 1.014 25437 4443 1 8 . 1 1 20 20 LEU N N 20 117.938 117.938 118.950 -1.012 25437 4444 1 8 . 1 1 20 20 LEU HA H 20 4.258 4.258 3.958 0.300 25437 4445 1 8 . 1 1 20 20 LEU CA C 20 56.261 56.261 58.164 -1.903 25437 4446 1 8 . 1 1 20 20 LEU CB C 20 41.894 41.894 40.828 1.066 25437 4447 1 8 . 1 1 20 20 LEU H H 20 7.188 7.188 7.916 -0.728 25437 4448 1 8 . 1 1 21 21 GLN N N 21 118.367 118.367 118.349 0.018 25437 4449 1 8 . 1 1 21 21 GLN HA H 21 3.831 3.831 3.974 -0.143 25437 4450 1 8 . 1 1 21 21 GLN CA C 21 60.100 60.100 58.710 1.390 25437 4451 1 8 . 1 1 21 21 GLN CB C 21 27.745 27.745 27.517 0.228 25437 4452 1 8 . 1 1 21 21 GLN H H 21 7.805 7.805 8.479 -0.674 25437 4453 1 8 . 1 1 22 22 LYS N N 22 116.715 116.715 120.220 -3.505 25437 4454 1 8 . 1 1 22 22 LYS HA H 22 3.962 3.962 3.966 -0.004 25437 4455 1 8 . 1 1 22 22 LYS CA C 22 59.816 59.816 59.550 0.266 25437 4456 1 8 . 1 1 22 22 LYS CB C 22 32.520 32.520 32.013 0.507 25437 4457 1 8 . 1 1 22 22 LYS H H 22 8.143 8.143 8.177 -0.034 25437 4458 1 8 . 1 1 23 23 VAL N N 23 118.397 118.397 119.413 -1.016 25437 4459 1 8 . 1 1 23 23 VAL HA H 23 3.591 3.591 3.552 0.039 25437 4460 1 8 . 1 1 23 23 VAL CA C 23 66.313 66.313 66.054 0.259 25437 4461 1 8 . 1 1 23 23 VAL CB C 23 31.529 31.529 30.941 0.588 25437 4462 1 8 . 1 1 23 23 VAL H H 23 7.715 7.715 7.533 0.182 25437 4463 1 8 . 1 1 24 24 ALA N N 24 121.929 121.929 121.924 0.005 25437 4464 1 8 . 1 1 24 24 ALA HA H 24 4.024 4.024 3.518 0.506 25437 4465 1 8 . 1 1 24 24 ALA CA C 24 55.444 55.444 55.417 0.027 25437 4466 1 8 . 1 1 24 24 ALA CB C 24 18.086 18.086 18.535 -0.449 25437 4467 1 8 . 1 1 24 24 ALA H H 24 8.307 8.307 7.448 0.859 25437 4468 1 8 . 1 1 25 25 ARG N N 25 114.491 114.491 118.411 -3.920 25437 4469 1 8 . 1 1 25 25 ARG HA H 25 4.114 4.114 4.137 -0.023 25437 4470 1 8 . 1 1 25 25 ARG CA C 25 60.717 60.717 59.909 0.808 25437 4471 1 8 . 1 1 25 25 ARG CB C 25 29.257 29.257 30.234 -0.977 25437 4472 1 8 . 1 1 25 25 ARG H H 25 8.224 8.224 8.304 -0.080 25437 4473 1 8 . 1 1 26 26 ARG N N 26 119.944 119.944 119.580 0.364 25437 4474 1 8 . 1 1 26 26 ARG HA H 26 4.223 4.223 3.983 0.240 25437 4475 1 8 . 1 1 26 26 ARG CA C 26 57.097 57.097 58.966 -1.869 25437 4476 1 8 . 1 1 26 26 ARG CB C 26 28.888 28.888 29.920 -1.032 25437 4477 1 8 . 1 1 26 26 ARG H H 26 7.703 7.703 8.167 -0.464 25437 4478 1 8 . 1 1 27 27 ALA N N 27 122.041 122.041 122.417 -0.376 25437 4479 1 8 . 1 1 27 27 ALA HA H 27 3.611 3.611 3.948 -0.337 25437 4480 1 8 . 1 1 27 27 ALA CA C 27 55.249 55.249 54.892 0.357 25437 4481 1 8 . 1 1 27 27 ALA CB C 27 15.829 15.829 17.801 -1.972 25437 4482 1 8 . 1 1 27 27 ALA H H 27 8.754 8.754 8.079 0.675 25437 4483 1 8 . 1 1 28 28 LEU N N 28 117.421 117.421 118.047 -0.626 25437 4484 1 8 . 1 1 28 28 LEU HA H 28 4.053 4.053 4.087 -0.034 25437 4485 1 8 . 1 1 28 28 LEU CA C 28 57.757 57.757 58.492 -0.735 25437 4486 1 8 . 1 1 28 28 LEU CB C 28 40.351 40.351 41.982 -1.631 25437 4487 1 8 . 1 1 28 28 LEU H H 28 7.657 7.657 8.003 -0.346 25437 4488 1 8 . 1 1 29 29 GLU N N 29 114.911 114.911 117.687 -2.776 25437 4489 1 8 . 1 1 29 29 GLU HA H 29 4.023 4.023 4.126 -0.103 25437 4490 1 8 . 1 1 29 29 GLU CA C 29 58.489 58.489 58.031 0.458 25437 4491 1 8 . 1 1 29 29 GLU CB C 29 29.540 29.540 30.070 -0.530 25437 4492 1 8 . 1 1 29 29 GLU H H 29 7.039 7.039 7.383 -0.344 25437 4493 1 8 . 1 1 30 30 LEU N N 30 117.166 117.166 119.813 -2.647 25437 4494 1 8 . 1 1 30 30 LEU HA H 30 4.281 4.281 4.022 0.259 25437 4495 1 8 . 1 1 30 30 LEU CA C 30 55.266 55.266 56.976 -1.710 25437 4496 1 8 . 1 1 30 30 LEU CB C 30 44.403 44.403 42.299 2.104 25437 4497 1 8 . 1 1 30 30 LEU H H 30 7.353 7.353 8.022 -0.669 25437 4498 1 8 . 1 1 31 31 SER N N 31 116.260 116.260 112.983 3.277 25437 4499 1 8 . 1 1 31 31 SER HA H 31 4.557 4.557 4.259 0.298 25437 4500 1 8 . 1 1 31 31 SER CA C 31 55.723 55.723 57.827 -2.104 25437 4501 1 8 . 1 1 31 31 SER CB C 31 65.560 65.560 63.966 1.594 25437 4502 1 8 . 1 1 31 31 SER H H 31 7.742 7.742 7.810 -0.068 25437 4503 1 8 . 1 1 32 32 PRO HA H 32 4.609 4.609 4.247 0.362 25437 4504 1 8 . 1 1 32 32 PRO CA C 32 63.483 63.483 63.920 -0.437 25437 4505 1 8 . 1 1 32 32 PRO CB C 32 31.236 31.236 31.725 -0.489 25437 4506 1 8 . 1 1 33 33 TYR N N 33 114.714 114.714 118.506 -3.792 25437 4507 1 8 . 1 1 33 33 TYR HA H 33 4.710 4.710 4.663 0.047 25437 4508 1 8 . 1 1 33 33 TYR CA C 33 56.742 56.742 56.100 0.642 25437 4509 1 8 . 1 1 33 33 TYR CB C 33 41.506 41.506 39.402 2.104 25437 4510 1 8 . 1 1 33 33 TYR H H 33 7.727 7.727 7.456 0.271 25437 4511 1 8 . 1 1 34 34 ASP N N 34 125.197 125.197 120.855 4.342 25437 4512 1 8 . 1 1 34 34 ASP HA H 34 3.524 3.524 4.587 -1.063 25437 4513 1 8 . 1 1 34 34 ASP CA C 34 52.353 52.353 55.687 -3.334 25437 4514 1 8 . 1 1 34 34 ASP CB C 34 37.720 37.720 42.029 -4.309 25437 4515 1 8 . 1 1 34 34 ASP H H 34 8.630 8.630 8.934 -0.304 25437 4516 1 8 . 1 1 35 35 PHE N N 35 115.803 115.803 113.223 2.580 25437 4517 1 8 . 1 1 35 35 PHE HA H 35 5.131 5.131 5.453 -0.322 25437 4518 1 8 . 1 1 35 35 PHE CA C 35 55.839 55.839 56.491 -0.652 25437 4519 1 8 . 1 1 35 35 PHE CB C 35 40.751 40.751 42.886 -2.135 25437 4520 1 8 . 1 1 35 35 PHE H H 35 7.250 7.250 7.987 -0.737 25437 4521 1 8 . 1 1 36 36 THR N N 36 113.338 113.338 118.043 -4.705 25437 4522 1 8 . 1 1 36 36 THR HA H 36 4.769 4.769 4.639 0.130 25437 4523 1 8 . 1 1 36 36 THR CA C 36 58.833 58.833 60.052 -1.219 25437 4524 1 8 . 1 1 36 36 THR CB C 36 71.387 71.387 69.859 1.528 25437 4525 1 8 . 1 1 36 36 THR H H 36 9.026 9.026 8.827 0.199 25437 4526 1 8 . 1 1 37 37 ILE N N 37 124.219 124.219 128.333 -4.114 25437 4527 1 8 . 1 1 37 37 ILE HA H 37 4.676 4.676 4.264 0.412 25437 4528 1 8 . 1 1 37 37 ILE CA C 37 58.395 58.395 62.150 -3.755 25437 4529 1 8 . 1 1 37 37 ILE CB C 37 34.649 34.649 37.782 -3.133 25437 4530 1 8 . 1 1 37 37 ILE H H 37 8.476 8.476 9.112 -0.636 25437 4531 1 8 . 1 1 38 38 VAL N N 38 124.271 124.271 126.740 -2.469 25437 4532 1 8 . 1 1 38 38 VAL HA H 38 3.981 3.981 4.213 -0.232 25437 4533 1 8 . 1 1 38 38 VAL CA C 38 63.144 63.144 64.012 -0.868 25437 4534 1 8 . 1 1 38 38 VAL CB C 38 32.658 32.658 33.005 -0.347 25437 4535 1 8 . 1 1 38 38 VAL H H 38 8.640 8.640 8.575 0.065 25437 4536 1 8 . 1 1 39 39 GLN N N 39 115.210 115.210 116.170 -0.960 25437 4537 1 8 . 1 1 39 39 GLN HA H 39 4.378 4.378 4.826 -0.448 25437 4538 1 8 . 1 1 39 39 GLN CA C 39 56.197 56.197 55.541 0.656 25437 4539 1 8 . 1 1 39 39 GLN CB C 39 33.463 33.463 32.654 0.809 25437 4540 1 8 . 1 1 39 39 GLN H H 39 7.305 7.305 7.770 -0.465 25437 4541 1 8 . 1 1 40 40 GLY N N 40 116.022 116.022 109.382 6.640 25437 4542 1 8 . 1 1 40 40 GLY CA C 40 45.347 45.347 45.040 0.307 25437 4543 1 8 . 1 1 40 40 GLY H H 40 8.851 8.851 8.588 0.263 25437 4544 1 8 . 1 1 41 41 ILE N N 41 132.358 132.358 120.013 12.345 25437 4545 1 8 . 1 1 41 41 ILE HA H 41 4.715 4.715 4.472 0.243 25437 4546 1 8 . 1 1 41 41 ILE CA C 41 61.575 61.575 59.035 2.540 25437 4547 1 8 . 1 1 41 41 ILE CB C 41 38.774 38.774 41.932 -3.158 25437 4548 1 8 . 1 1 41 41 ILE H H 41 8.776 8.776 7.897 0.879 25437 4549 1 8 . 1 1 42 42 ARG N N 42 123.358 123.358 128.005 -4.647 25437 4550 1 8 . 1 1 42 42 ARG HA H 42 4.725 4.725 4.615 0.110 25437 4551 1 8 . 1 1 42 42 ARG CA C 42 54.576 54.576 55.723 -1.147 25437 4552 1 8 . 1 1 42 42 ARG CB C 42 33.425 33.425 30.959 2.466 25437 4553 1 8 . 1 1 42 42 ARG H H 42 7.154 7.154 8.539 -1.385 25437 4554 1 8 . 1 1 43 43 THR N N 43 115.494 115.494 118.032 -2.538 25437 4555 1 8 . 1 1 43 43 THR HA H 43 4.539 4.539 4.386 0.153 25437 4556 1 8 . 1 1 43 43 THR CA C 43 61.022 61.022 60.919 0.103 25437 4557 1 8 . 1 1 43 43 THR CB C 43 70.577 70.577 69.541 1.036 25437 4558 1 8 . 1 1 43 43 THR H H 43 8.519 8.519 8.474 0.045 25437 4559 1 8 . 1 1 44 44 VAL N N 44 121.526 121.526 116.135 5.391 25437 4560 1 8 . 1 1 44 44 VAL HA H 44 3.956 3.956 4.193 -0.237 25437 4561 1 8 . 1 1 44 44 VAL CA C 44 63.977 63.977 63.759 0.218 25437 4562 1 8 . 1 1 44 44 VAL CB C 44 32.313 32.313 31.015 1.298 25437 4563 1 8 . 1 1 44 44 VAL H H 44 8.516 8.516 8.272 0.244 25437 4564 1 8 . 1 1 45 45 ALA N N 45 125.457 125.457 121.996 3.461 25437 4565 1 8 . 1 1 45 45 ALA HA H 45 4.260 4.260 4.468 -0.208 25437 4566 1 8 . 1 1 45 45 ALA CA C 45 53.278 53.278 53.367 -0.089 25437 4567 1 8 . 1 1 45 45 ALA CB C 45 18.641 18.641 19.509 -0.868 25437 4568 1 8 . 1 1 45 45 ALA H H 45 8.311 8.311 7.958 0.353 25437 4569 1 8 . 1 1 46 46 GLN N N 46 118.271 118.271 120.049 -1.778 25437 4570 1 8 . 1 1 46 46 GLN HA H 46 4.232 4.232 4.089 0.143 25437 4571 1 8 . 1 1 46 46 GLN CA C 46 56.717 56.717 58.428 -1.710 25437 4572 1 8 . 1 1 46 46 GLN CB C 46 28.901 28.901 28.515 0.386 25437 4573 1 8 . 1 1 46 46 GLN H H 46 8.109 8.109 8.070 0.039 25437 4574 1 8 . 1 1 47 47 SER N N 47 116.127 116.127 114.450 1.677 25437 4575 1 8 . 1 1 47 47 SER HA H 47 4.361 4.361 4.196 0.165 25437 4576 1 8 . 1 1 47 47 SER CA C 47 59.082 59.082 60.862 -1.780 25437 4577 1 8 . 1 1 47 47 SER CB C 47 64.009 64.009 62.619 1.390 25437 4578 1 8 . 1 1 47 47 SER H H 47 8.199 8.199 8.095 0.104 25437 4579 1 8 . 1 1 48 48 ALA N N 48 124.628 124.628 122.696 1.932 25437 4580 1 8 . 1 1 48 48 ALA HA H 48 4.253 4.253 4.313 -0.060 25437 4581 1 8 . 1 1 48 48 ALA CA C 48 53.325 53.325 53.961 -0.636 25437 4582 1 8 . 1 1 48 48 ALA CB C 48 18.552 18.552 18.842 -0.290 25437 4583 1 8 . 1 1 48 48 ALA H H 48 8.315 8.315 8.240 0.075 25437 4584 1 8 . 1 1 49 49 GLN N N 49 119.160 119.160 118.504 0.656 25437 4585 1 8 . 1 1 49 49 GLN HA H 49 4.232 4.232 4.151 0.081 25437 4586 1 8 . 1 1 49 49 GLN CA C 49 56.850 56.850 57.398 -0.548 25437 4587 1 8 . 1 1 49 49 GLN CB C 49 28.992 28.992 28.606 0.386 25437 4588 1 8 . 1 1 49 49 GLN H H 49 8.153 8.153 7.842 0.311 25437 4589 1 8 . 1 1 50 50 ASN N N 50 119.112 119.112 118.717 0.395 25437 4590 1 8 . 1 1 50 50 ASN HA H 50 4.660 4.660 4.460 0.200 25437 4591 1 8 . 1 1 50 50 ASN CA C 50 53.572 53.572 56.249 -2.677 25437 4592 1 8 . 1 1 50 50 ASN CB C 50 38.376 38.376 38.734 -0.358 25437 4593 1 8 . 1 1 50 50 ASN H H 50 8.205 8.205 8.025 0.180 25437 4594 1 8 . 1 1 51 51 ILE N N 51 120.639 120.639 114.505 6.134 25437 4595 1 8 . 1 1 51 51 ILE HA H 51 4.095 4.095 4.332 -0.237 25437 4596 1 8 . 1 1 51 51 ILE CA C 51 61.954 61.954 60.134 1.820 25437 4597 1 8 . 1 1 51 51 ILE CB C 51 38.414 38.414 36.214 2.200 25437 4598 1 8 . 1 1 51 51 ILE H H 51 7.939 7.939 7.240 0.699 25437 4599 1 8 . 1 1 52 52 ALA N N 52 126.459 126.459 123.884 2.575 25437 4600 1 8 . 1 1 52 52 ALA HA H 52 4.246 4.246 3.958 0.288 25437 4601 1 8 . 1 1 52 52 ALA CA C 52 53.189 53.189 54.558 -1.369 25437 4602 1 8 . 1 1 52 52 ALA CB C 52 18.453 18.453 18.594 -0.141 25437 4603 1 8 . 1 1 52 52 ALA H H 52 8.251 8.251 8.029 0.222 25437 4604 1 8 . 1 1 53 53 ASN N N 53 116.801 116.801 116.828 -0.027 25437 4605 1 8 . 1 1 53 53 ASN HA H 53 4.648 4.648 4.463 0.185 25437 4606 1 8 . 1 1 53 53 ASN CA C 53 53.425 53.425 55.554 -2.129 25437 4607 1 8 . 1 1 53 53 ASN CB C 53 38.600 38.600 38.600 0.000 25437 4608 1 8 . 1 1 53 53 ASN H H 53 8.230 8.230 8.316 -0.086 25437 4609 1 8 . 1 1 54 54 GLY N N 54 108.549 108.549 105.525 3.024 25437 4610 1 8 . 1 1 54 54 GLY CA C 54 45.746 45.746 44.773 0.973 25437 4611 1 8 . 1 1 54 54 GLY H H 54 8.191 8.191 7.672 0.519 25437 4612 1 8 . 1 1 55 55 THR N N 55 112.528 112.528 118.330 -5.802 25437 4613 1 8 . 1 1 55 55 THR HA H 55 4.282 4.282 4.256 0.026 25437 4614 1 8 . 1 1 55 55 THR CA C 55 62.118 62.118 62.610 -0.492 25437 4615 1 8 . 1 1 55 55 THR CB C 55 69.796 69.796 69.240 0.556 25437 4616 1 8 . 1 1 55 55 THR H H 55 8.003 8.003 7.975 0.028 25437 4617 1 8 . 1 1 56 56 SER N N 56 116.986 116.986 122.778 -5.792 25437 4618 1 8 . 1 1 56 56 SER HA H 56 4.362 4.362 4.292 0.070 25437 4619 1 8 . 1 1 56 56 SER CA C 56 58.454 58.454 59.657 -1.203 25437 4620 1 8 . 1 1 56 56 SER CB C 56 63.762 63.762 63.251 0.511 25437 4621 1 8 . 1 1 56 56 SER H H 56 8.043 8.043 8.471 -0.428 25437 4622 1 8 . 1 1 57 57 PHE N N 57 121.981 121.981 121.427 0.554 25437 4623 1 8 . 1 1 57 57 PHE HA H 57 4.579 4.579 4.310 0.269 25437 4624 1 8 . 1 1 57 57 PHE CA C 57 57.929 57.929 60.523 -2.594 25437 4625 1 8 . 1 1 57 57 PHE CB C 57 39.068 39.068 39.028 0.040 25437 4626 1 8 . 1 1 57 57 PHE H H 57 8.120 8.120 8.187 -0.067 25437 4627 1 8 . 1 1 58 58 LEU N N 58 121.621 121.621 118.874 2.747 25437 4628 1 8 . 1 1 58 58 LEU HA H 58 4.174 4.174 4.458 -0.284 25437 4629 1 8 . 1 1 58 58 LEU CA C 58 55.350 55.350 54.264 1.085 25437 4630 1 8 . 1 1 58 58 LEU CB C 58 42.340 42.340 40.772 1.568 25437 4631 1 8 . 1 1 58 58 LEU H H 58 7.806 7.806 7.589 0.217 25437 4632 1 8 . 1 1 59 59 LYS N N 59 120.388 120.388 120.141 0.247 25437 4633 1 8 . 1 1 59 59 LYS HA H 59 4.230 4.230 4.220 0.010 25437 4634 1 8 . 1 1 59 59 LYS CA C 59 55.823 55.823 56.828 -1.005 25437 4635 1 8 . 1 1 59 59 LYS CB C 59 32.616 32.616 32.207 0.409 25437 4636 1 8 . 1 1 59 59 LYS H H 59 8.068 8.068 7.505 0.563 25437 4637 1 8 . 1 1 60 60 ASP N N 60 121.094 121.094 123.838 -2.744 25437 4638 1 8 . 1 1 60 60 ASP HA H 60 4.828 4.828 4.718 0.110 25437 4639 1 8 . 1 1 60 60 ASP CA C 60 53.698 53.698 53.387 0.311 25437 4640 1 8 . 1 1 60 60 ASP CB C 60 41.652 41.652 40.937 0.715 25437 4641 1 8 . 1 1 60 60 ASP H H 60 7.959 7.959 8.513 -0.554 25437 4642 1 8 . 1 1 61 61 PRO HA H 61 4.388 4.388 4.559 -0.171 25437 4643 1 8 . 1 1 61 61 PRO CA C 61 63.263 63.263 63.073 0.190 25437 4644 1 8 . 1 1 61 61 PRO CB C 61 31.697 31.697 30.547 1.149 25437 4645 1 8 . 1 1 62 62 SER N N 62 115.353 115.353 117.237 -1.884 25437 4646 1 8 . 1 1 62 62 SER HA H 62 4.365 4.365 4.526 -0.161 25437 4647 1 8 . 1 1 62 62 SER CA C 62 59.258 59.258 57.285 1.973 25437 4648 1 8 . 1 1 62 62 SER CB C 62 63.634 63.634 63.966 -0.332 25437 4649 1 8 . 1 1 62 62 SER H H 62 8.420 8.420 8.327 0.093 25437 4650 1 8 . 1 1 63 63 LYS N N 63 122.360 122.360 120.992 1.368 25437 4651 1 8 . 1 1 63 63 LYS HA H 63 4.266 4.266 4.120 0.146 25437 4652 1 8 . 1 1 63 63 LYS CA C 63 56.628 56.628 57.630 -1.002 25437 4653 1 8 . 1 1 63 63 LYS CB C 63 29.327 29.327 32.466 -3.139 25437 4654 1 8 . 1 1 63 63 LYS H H 63 8.405 8.405 8.458 -0.053 25437 4655 1 8 . 1 1 65 65 LYS N N 65 125.418 125.418 120.076 5.342 25437 4656 1 8 . 1 1 65 65 LYS HA H 65 4.146 4.146 4.598 -0.452 25437 4657 1 8 . 1 1 65 65 LYS CA C 65 63.350 63.350 56.109 7.241 25437 4658 1 8 . 1 1 65 65 LYS CB C 65 31.891 31.891 33.184 -1.293 25437 4659 1 8 . 1 1 65 65 LYS H H 65 8.369 8.369 9.015 -0.646 25437 4660 1 8 . 1 1 66 66 HIS N N 66 121.236 121.236 119.602 1.634 25437 4661 1 8 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.383 0.162 25437 4662 1 8 . 1 1 66 66 HIS CA C 66 59.256 59.256 59.106 0.150 25437 4663 1 8 . 1 1 66 66 HIS CB C 66 28.619 28.619 29.684 -1.065 25437 4664 1 8 . 1 1 66 66 HIS H H 66 8.758 8.758 8.633 0.125 25437 4665 1 8 . 1 1 67 67 ILE N N 67 120.137 120.137 118.699 1.438 25437 4666 1 8 . 1 1 67 67 ILE HA H 67 4.372 4.372 4.008 0.364 25437 4667 1 8 . 1 1 67 67 ILE CA C 67 63.961 63.961 63.563 0.398 25437 4668 1 8 . 1 1 67 67 ILE CB C 67 37.935 37.935 36.443 1.492 25437 4669 1 8 . 1 1 67 67 ILE H H 67 7.849 7.849 8.180 -0.331 25437 4670 1 8 . 1 1 68 68 THR N N 68 104.067 104.067 112.236 -8.169 25437 4671 1 8 . 1 1 68 68 THR HA H 68 4.397 4.397 4.438 -0.041 25437 4672 1 8 . 1 1 68 68 THR CA C 68 61.343 61.343 61.640 -0.297 25437 4673 1 8 . 1 1 68 68 THR CB C 68 68.473 68.473 69.447 -0.974 25437 4674 1 8 . 1 1 68 68 THR H H 68 7.168 7.168 7.714 -0.546 25437 4675 1 8 . 1 1 69 69 GLY N N 69 107.308 107.308 110.641 -3.333 25437 4676 1 8 . 1 1 69 69 GLY CA C 69 46.665 46.665 46.272 0.393 25437 4677 1 8 . 1 1 69 69 GLY H H 69 7.169 7.169 7.614 -0.445 25437 4678 1 8 . 1 1 70 70 ASP N N 70 114.629 114.629 119.190 -4.561 25437 4679 1 8 . 1 1 70 70 ASP HA H 70 4.734 4.734 4.757 -0.023 25437 4680 1 8 . 1 1 70 70 ASP CA C 70 54.627 54.627 53.916 0.711 25437 4681 1 8 . 1 1 70 70 ASP CB C 70 44.451 44.451 40.609 3.842 25437 4682 1 8 . 1 1 70 70 ASP H H 70 7.644 7.644 7.788 -0.144 25437 4683 1 8 . 1 1 71 71 ALA N N 71 118.917 118.917 118.407 0.510 25437 4684 1 8 . 1 1 71 71 ALA HA H 71 5.062 5.062 4.973 0.089 25437 4685 1 8 . 1 1 71 71 ALA CA C 71 51.498 51.498 51.394 0.104 25437 4686 1 8 . 1 1 71 71 ALA CB C 71 21.994 21.994 21.905 0.089 25437 4687 1 8 . 1 1 71 71 ALA H H 71 7.529 7.529 7.356 0.173 25437 4688 1 8 . 1 1 72 72 ILE N N 72 110.818 110.818 113.299 -2.481 25437 4689 1 8 . 1 1 72 72 ILE HA H 72 5.249 5.249 4.320 0.929 25437 4690 1 8 . 1 1 72 72 ILE CA C 72 58.821 58.821 60.341 -1.520 25437 4691 1 8 . 1 1 72 72 ILE CB C 72 43.709 43.709 42.025 1.684 25437 4692 1 8 . 1 1 72 72 ILE H H 72 8.449 8.449 8.820 -0.371 25437 4693 1 8 . 1 1 73 73 ASP N N 73 117.790 117.790 121.141 -3.351 25437 4694 1 8 . 1 1 73 73 ASP HA H 73 6.094 6.094 5.439 0.655 25437 4695 1 8 . 1 1 73 73 ASP CA C 73 52.090 52.090 53.282 -1.192 25437 4696 1 8 . 1 1 73 73 ASP CB C 73 42.655 42.655 45.145 -2.490 25437 4697 1 8 . 1 1 73 73 ASP H H 73 8.442 8.442 8.823 -0.381 25437 4698 1 8 . 1 1 74 74 PHE N N 74 122.479 122.479 120.563 1.916 25437 4699 1 8 . 1 1 74 74 PHE HA H 74 6.173 6.173 5.309 0.864 25437 4700 1 8 . 1 1 74 74 PHE CA C 74 54.775 54.775 56.005 -1.230 25437 4701 1 8 . 1 1 74 74 PHE CB C 74 44.115 44.115 42.697 1.418 25437 4702 1 8 . 1 1 74 74 PHE H H 74 9.463 9.463 9.108 0.355 25437 4703 1 8 . 1 1 75 75 ALA N N 75 118.862 118.862 121.358 -2.496 25437 4704 1 8 . 1 1 75 75 ALA HA H 75 4.453 4.453 4.273 0.180 25437 4705 1 8 . 1 1 75 75 ALA CA C 75 50.134 50.134 48.665 1.469 25437 4706 1 8 . 1 1 75 75 ALA CB C 75 21.020 21.020 20.926 0.094 25437 4707 1 8 . 1 1 75 75 ALA H H 75 8.575 8.575 8.974 -0.399 25437 4708 1 8 . 1 1 76 76 PRO HA H 76 4.466 4.466 4.568 -0.102 25437 4709 1 8 . 1 1 76 76 PRO CA C 76 62.353 62.353 62.743 -0.390 25437 4710 1 8 . 1 1 76 76 PRO CB C 76 32.135 32.135 30.903 1.232 25437 4711 1 8 . 1 1 77 77 TYR N N 77 126.211 126.211 126.026 0.185 25437 4712 1 8 . 1 1 77 77 TYR HA H 77 4.835 4.835 4.558 0.277 25437 4713 1 8 . 1 1 77 77 TYR CA C 77 56.830 56.830 58.897 -2.067 25437 4714 1 8 . 1 1 77 77 TYR CB C 77 40.384 40.384 40.538 -0.155 25437 4715 1 8 . 1 1 77 77 TYR H H 77 8.357 8.357 8.393 -0.036 25437 4716 1 8 . 1 1 78 78 ILE N N 78 124.613 124.613 124.590 0.023 25437 4717 1 8 . 1 1 78 78 ILE HA H 78 4.210 4.210 4.211 -0.001 25437 4718 1 8 . 1 1 78 78 ILE CA C 78 59.941 59.941 60.529 -0.588 25437 4719 1 8 . 1 1 78 78 ILE CB C 78 40.652 40.652 41.689 -1.037 25437 4720 1 8 . 1 1 78 78 ILE H H 78 8.334 8.334 8.966 -0.632 25437 4721 1 8 . 1 1 79 79 ASN N N 79 126.361 126.361 124.106 2.255 25437 4722 1 8 . 1 1 79 79 ASN HA H 79 4.339 4.339 4.477 -0.138 25437 4723 1 8 . 1 1 79 79 ASN CA C 79 53.937 53.937 54.048 -0.111 25437 4724 1 8 . 1 1 79 79 ASN CB C 79 36.887 36.887 38.010 -1.123 25437 4725 1 8 . 1 1 79 79 ASN H H 79 9.444 9.444 9.111 0.333 25437 4726 1 8 . 1 1 80 80 GLY N N 80 102.068 102.068 102.787 -0.719 25437 4727 1 8 . 1 1 80 80 GLY CA C 80 45.663 45.663 45.601 0.062 25437 4728 1 8 . 1 1 80 80 GLY H H 80 8.240 8.240 8.541 -0.301 25437 4729 1 8 . 1 1 81 81 LYS N N 81 117.260 117.260 117.425 -0.165 25437 4730 1 8 . 1 1 81 81 LYS HA H 81 4.534 4.534 4.357 0.177 25437 4731 1 8 . 1 1 81 81 LYS CA C 81 54.226 54.226 53.373 0.853 25437 4732 1 8 . 1 1 81 81 LYS CB C 81 35.655 35.655 35.910 -0.255 25437 4733 1 8 . 1 1 81 81 LYS H H 81 7.046 7.046 7.547 -0.501 25437 4734 1 8 . 1 1 82 82 ILE N N 82 122.347 122.347 120.727 1.620 25437 4735 1 8 . 1 1 82 82 ILE HA H 82 4.091 4.091 3.369 0.722 25437 4736 1 8 . 1 1 82 82 ILE CA C 82 62.621 62.621 62.111 0.510 25437 4737 1 8 . 1 1 82 82 ILE CB C 82 37.833 37.833 37.904 -0.071 25437 4738 1 8 . 1 1 82 82 ILE H H 82 8.418 8.418 8.274 0.144 25437 4739 1 8 . 1 1 83 83 ASP N N 83 128.498 128.498 127.368 1.130 25437 4740 1 8 . 1 1 83 83 ASP HA H 83 4.808 4.808 4.697 0.111 25437 4741 1 8 . 1 1 83 83 ASP CA C 83 51.619 51.619 53.106 -1.487 25437 4742 1 8 . 1 1 83 83 ASP CB C 83 41.079 41.079 39.718 1.361 25437 4743 1 8 . 1 1 83 83 ASP H H 83 8.028 8.028 7.991 0.037 25437 4744 1 8 . 1 1 84 84 TRP N N 84 121.807 121.807 122.315 -0.508 25437 4745 1 8 . 1 1 84 84 TRP HA H 84 4.574 4.574 4.560 0.014 25437 4746 1 8 . 1 1 84 84 TRP CA C 84 58.456 58.456 58.720 -0.264 25437 4747 1 8 . 1 1 84 84 TRP CB C 84 30.177 30.177 30.148 0.029 25437 4748 1 8 . 1 1 84 84 TRP H H 84 8.081 8.081 7.888 0.193 25437 4749 1 8 . 1 1 85 85 ASN N N 85 113.227 113.227 115.484 -2.257 25437 4750 1 8 . 1 1 85 85 ASN HA H 85 4.975 4.975 4.782 0.193 25437 4751 1 8 . 1 1 85 85 ASN CA C 85 53.430 53.430 54.026 -0.596 25437 4752 1 8 . 1 1 85 85 ASN CB C 85 40.162 40.162 39.784 0.378 25437 4753 1 8 . 1 1 85 85 ASN H H 85 8.386 8.386 8.342 0.044 25437 4754 1 8 . 1 1 86 86 ASP N N 86 118.821 118.821 120.766 -1.945 25437 4755 1 8 . 1 1 86 86 ASP HA H 86 4.813 4.813 4.669 0.144 25437 4756 1 8 . 1 1 86 86 ASP CA C 86 52.255 52.255 54.596 -2.341 25437 4757 1 8 . 1 1 86 86 ASP CB C 86 37.613 37.613 39.406 -1.793 25437 4758 1 8 . 1 1 86 86 ASP H H 86 7.405 7.405 8.088 -0.683 25437 4759 1 8 . 1 1 87 87 LEU N N 87 127.177 127.177 121.541 5.636 25437 4760 1 8 . 1 1 87 87 LEU HA H 87 4.055 4.055 4.139 -0.084 25437 4761 1 8 . 1 1 87 87 LEU CA C 87 58.321 58.321 57.143 1.178 25437 4762 1 8 . 1 1 87 87 LEU CB C 87 40.887 40.887 41.683 -0.796 25437 4763 1 8 . 1 1 87 87 LEU H H 87 8.274 8.274 7.665 0.609 25437 4764 1 8 . 1 1 88 88 GLU N N 88 114.132 114.132 119.828 -5.696 25437 4765 1 8 . 1 1 88 88 GLU HA H 88 3.938 3.938 2.483 1.455 25437 4766 1 8 . 1 1 88 88 GLU CA C 88 59.437 59.437 58.594 0.843 25437 4767 1 8 . 1 1 88 88 GLU CB C 88 27.987 27.987 28.867 -0.880 25437 4768 1 8 . 1 1 88 88 GLU H H 88 8.257 8.257 8.209 0.048 25437 4769 1 8 . 1 1 89 89 ALA N N 89 122.075 122.075 120.306 1.769 25437 4770 1 8 . 1 1 89 89 ALA HA H 89 3.799 3.799 4.151 -0.352 25437 4771 1 8 . 1 1 89 89 ALA CA C 89 54.703 54.703 54.046 0.657 25437 4772 1 8 . 1 1 89 89 ALA CB C 89 17.635 17.635 18.143 -0.508 25437 4773 1 8 . 1 1 89 89 ALA H H 89 7.418 7.418 7.922 -0.504 25437 4774 1 8 . 1 1 90 90 PHE N N 90 116.551 116.551 120.412 -3.861 25437 4775 1 8 . 1 1 90 90 PHE HA H 90 4.025 4.025 4.049 -0.024 25437 4776 1 8 . 1 1 90 90 PHE CA C 90 64.150 64.150 61.983 2.167 25437 4777 1 8 . 1 1 90 90 PHE CB C 90 38.965 38.965 38.719 0.246 25437 4778 1 8 . 1 1 90 90 PHE H H 90 7.777 7.777 7.087 0.690 25437 4779 1 8 . 1 1 91 91 TRP N N 91 119.390 119.390 117.489 1.901 25437 4780 1 8 . 1 1 91 91 TRP HA H 91 4.578 4.578 4.453 0.125 25437 4781 1 8 . 1 1 91 91 TRP CA C 91 59.217 59.217 58.392 0.825 25437 4782 1 8 . 1 1 91 91 TRP CB C 91 29.802 29.802 27.473 2.329 25437 4783 1 8 . 1 1 91 91 TRP H H 91 7.821 7.821 7.649 0.172 25437 4784 1 8 . 1 1 92 92 ALA N N 92 121.275 121.275 123.218 -1.943 25437 4785 1 8 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.430 -0.306 25437 4786 1 8 . 1 1 92 92 ALA CA C 92 55.229 55.229 54.421 0.808 25437 4787 1 8 . 1 1 92 92 ALA CB C 92 18.870 18.870 18.602 0.268 25437 4788 1 8 . 1 1 92 92 ALA H H 92 8.242 8.242 7.054 1.188 25437 4789 1 8 . 1 1 93 93 VAL N N 93 120.454 120.454 118.680 1.774 25437 4790 1 8 . 1 1 93 93 VAL HA H 93 3.600 3.600 3.885 -0.285 25437 4791 1 8 . 1 1 93 93 VAL CA C 93 66.424 66.424 65.826 0.598 25437 4792 1 8 . 1 1 93 93 VAL CB C 93 30.676 30.676 32.303 -1.627 25437 4793 1 8 . 1 1 93 93 VAL H H 93 8.259 8.259 8.080 0.179 25437 4794 1 8 . 1 1 94 94 LYS N N 94 122.098 122.098 120.233 1.865 25437 4795 1 8 . 1 1 94 94 LYS HA H 94 3.690 3.690 3.972 -0.282 25437 4796 1 8 . 1 1 94 94 LYS CA C 94 60.959 60.959 59.916 1.043 25437 4797 1 8 . 1 1 94 94 LYS CB C 94 31.484 31.484 32.169 -0.685 25437 4798 1 8 . 1 1 94 94 LYS H H 94 8.382 8.382 8.282 0.100 25437 4799 1 8 . 1 1 95 95 LYS N N 95 118.030 118.030 119.072 -1.042 25437 4800 1 8 . 1 1 95 95 LYS HA H 95 3.958 3.958 4.216 -0.258 25437 4801 1 8 . 1 1 95 95 LYS CA C 95 59.212 59.212 59.274 -0.062 25437 4802 1 8 . 1 1 95 95 LYS CB C 95 31.219 31.219 32.416 -1.197 25437 4803 1 8 . 1 1 95 95 LYS H H 95 7.957 7.957 7.756 0.201 25437 4804 1 8 . 1 1 96 96 ALA N N 96 124.359 124.359 120.651 3.708 25437 4805 1 8 . 1 1 96 96 ALA HA H 96 4.229 4.229 4.204 0.025 25437 4806 1 8 . 1 1 96 96 ALA CA C 96 55.422 55.422 54.608 0.814 25437 4807 1 8 . 1 1 96 96 ALA CB C 96 17.148 17.148 18.572 -1.424 25437 4808 1 8 . 1 1 96 96 ALA H H 96 7.668 7.668 8.191 -0.523 25437 4809 1 8 . 1 1 97 97 PHE N N 97 117.446 117.446 119.365 -1.919 25437 4810 1 8 . 1 1 97 97 PHE HA H 97 3.883 3.883 4.171 -0.288 25437 4811 1 8 . 1 1 97 97 PHE CA C 97 63.187 63.187 62.337 0.850 25437 4812 1 8 . 1 1 97 97 PHE CB C 97 40.401 40.401 39.378 1.023 25437 4813 1 8 . 1 1 97 97 PHE H H 97 8.369 8.369 8.218 0.151 25437 4814 1 8 . 1 1 98 98 GLU N N 98 119.148 119.148 118.116 1.032 25437 4815 1 8 . 1 1 98 98 GLU HA H 98 4.140 4.140 3.979 0.161 25437 4816 1 8 . 1 1 98 98 GLU CA C 98 59.610 59.610 58.805 0.805 25437 4817 1 8 . 1 1 98 98 GLU CB C 98 29.444 29.444 29.067 0.377 25437 4818 1 8 . 1 1 98 98 GLU H H 98 8.821 8.821 8.075 0.746 25437 4819 1 8 . 1 1 99 99 GLN N N 99 120.727 120.727 118.408 2.319 25437 4820 1 8 . 1 1 99 99 GLN HA H 99 4.061 4.061 4.212 -0.151 25437 4821 1 8 . 1 1 99 99 GLN CA C 99 59.130 59.130 57.916 1.214 25437 4822 1 8 . 1 1 99 99 GLN CB C 99 27.524 27.524 29.084 -1.560 25437 4823 1 8 . 1 1 99 99 GLN H H 99 8.436 8.436 7.635 0.801 25437 4824 1 8 . 1 1 100 100 ALA N N 100 122.603 122.603 122.608 -0.005 25437 4825 1 8 . 1 1 100 100 ALA HA H 100 3.886 3.886 3.996 -0.110 25437 4826 1 8 . 1 1 100 100 ALA CA C 100 55.399 55.399 55.080 0.319 25437 4827 1 8 . 1 1 100 100 ALA CB C 100 19.472 19.472 18.071 1.401 25437 4828 1 8 . 1 1 100 100 ALA H H 100 8.433 8.433 8.390 0.043 25437 4829 1 8 . 1 1 101 101 GLY N N 101 104.253 104.253 104.544 -0.291 25437 4830 1 8 . 1 1 101 101 GLY CA C 101 47.843 47.843 46.686 1.157 25437 4831 1 8 . 1 1 101 101 GLY H H 101 9.035 9.035 7.966 1.069 25437 4832 1 8 . 1 1 102 102 LYS N N 102 121.912 121.912 120.652 1.260 25437 4833 1 8 . 1 1 102 102 LYS HA H 102 4.116 4.116 4.020 0.096 25437 4834 1 8 . 1 1 102 102 LYS CA C 102 59.314 59.314 59.178 0.136 25437 4835 1 8 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.336 -0.157 25437 4836 1 8 . 1 1 102 102 LYS H H 102 7.928 7.928 7.671 0.257 25437 4837 1 8 . 1 1 103 103 GLU N N 103 119.382 119.382 119.052 0.330 25437 4838 1 8 . 1 1 103 103 GLU HA H 103 3.989 3.989 4.133 -0.144 25437 4839 1 8 . 1 1 103 103 GLU CA C 103 59.093 59.093 58.570 0.523 25437 4840 1 8 . 1 1 103 103 GLU CB C 103 30.127 30.127 29.462 0.665 25437 4841 1 8 . 1 1 103 103 GLU H H 103 8.406 8.406 7.696 0.710 25437 4842 1 8 . 1 1 104 104 LEU N N 104 115.551 115.551 117.269 -1.718 25437 4843 1 8 . 1 1 104 104 LEU HA H 104 4.360 4.360 4.214 0.146 25437 4844 1 8 . 1 1 104 104 LEU CA C 104 55.185 55.185 55.493 -0.308 25437 4845 1 8 . 1 1 104 104 LEU CB C 104 43.105 43.105 42.404 0.701 25437 4846 1 8 . 1 1 104 104 LEU H H 104 7.999 7.999 8.295 -0.296 25437 4847 1 8 . 1 1 105 105 GLY N N 105 110.561 110.561 104.773 5.788 25437 4848 1 8 . 1 1 105 105 GLY CA C 105 46.480 46.480 45.175 1.306 25437 4849 1 8 . 1 1 105 105 GLY H H 105 7.898 7.898 7.691 0.207 25437 4850 1 8 . 1 1 106 106 ILE N N 106 121.745 121.745 121.475 0.270 25437 4851 1 8 . 1 1 106 106 ILE HA H 106 4.227 4.227 3.894 0.333 25437 4852 1 8 . 1 1 106 106 ILE CA C 106 59.717 59.717 61.617 -1.900 25437 4853 1 8 . 1 1 106 106 ILE CB C 106 41.096 41.096 38.564 2.532 25437 4854 1 8 . 1 1 106 106 ILE H H 106 8.428 8.428 7.795 0.633 25437 4855 1 8 . 1 1 107 107 LYS N N 107 127.736 127.736 127.171 0.565 25437 4856 1 8 . 1 1 107 107 LYS HA H 107 4.275 4.275 4.117 0.158 25437 4857 1 8 . 1 1 107 107 LYS CA C 107 57.224 57.224 57.724 -0.500 25437 4858 1 8 . 1 1 107 107 LYS CB C 107 32.752 32.752 32.666 0.086 25437 4859 1 8 . 1 1 107 107 LYS H H 107 8.489 8.489 8.409 0.080 25437 4860 1 8 . 1 1 108 108 LEU N N 108 122.881 122.881 122.308 0.573 25437 4861 1 8 . 1 1 108 108 LEU HA H 108 5.235 5.235 4.659 0.576 25437 4862 1 8 . 1 1 108 108 LEU CA C 108 53.287 53.287 54.699 -1.412 25437 4863 1 8 . 1 1 108 108 LEU CB C 108 47.016 47.016 44.126 2.890 25437 4864 1 8 . 1 1 108 108 LEU H H 108 8.049 8.049 8.040 0.009 25437 4865 1 8 . 1 1 109 109 ARG N N 109 120.726 120.726 124.444 -3.718 25437 4866 1 8 . 1 1 109 109 ARG HA H 109 4.438 4.438 4.228 0.210 25437 4867 1 8 . 1 1 109 109 ARG CA C 109 55.193 55.193 55.914 -0.721 25437 4868 1 8 . 1 1 109 109 ARG CB C 109 33.519 33.519 34.005 -0.486 25437 4869 1 8 . 1 1 109 109 ARG H H 109 8.736 8.736 7.884 0.852 25437 4870 1 8 . 1 1 110 110 PHE N N 110 121.516 121.516 119.466 2.050 25437 4871 1 8 . 1 1 110 110 PHE HA H 110 5.303 5.303 4.861 0.442 25437 4872 1 8 . 1 1 110 110 PHE CA C 110 56.644 56.644 55.378 1.266 25437 4873 1 8 . 1 1 110 110 PHE CB C 110 40.602 40.602 40.075 0.527 25437 4874 1 8 . 1 1 110 110 PHE H H 110 8.707 8.707 7.967 0.740 25437 4875 1 8 . 1 1 111 111 GLY N N 111 108.992 108.992 108.819 0.173 25437 4876 1 8 . 1 1 111 111 GLY CA C 111 45.604 45.604 44.851 0.753 25437 4877 1 8 . 1 1 111 111 GLY H H 111 7.819 7.819 8.864 -1.045 25437 4878 1 8 . 1 1 112 112 ALA N N 112 111.448 111.448 127.412 -15.964 25437 4879 1 8 . 1 1 112 112 ALA HA H 112 3.858 3.858 4.612 -0.754 25437 4880 1 8 . 1 1 112 112 ALA CA C 112 52.083 52.083 53.431 -1.347 25437 4881 1 8 . 1 1 112 112 ALA CB C 112 18.655 18.655 19.731 -1.076 25437 4882 1 8 . 1 1 112 112 ALA H H 112 7.945 7.945 8.182 -0.237 25437 4883 1 8 . 1 1 113 113 ASP N N 113 106.770 106.770 116.771 -10.001 25437 4884 1 8 . 1 1 113 113 ASP HA H 113 5.157 5.157 4.967 0.190 25437 4885 1 8 . 1 1 113 113 ASP CA C 113 52.285 52.285 54.545 -2.260 25437 4886 1 8 . 1 1 113 113 ASP CB C 113 41.465 41.465 42.150 -0.685 25437 4887 1 8 . 1 1 113 113 ASP H H 113 7.000 7.000 8.593 -1.593 25437 4888 1 8 . 1 1 114 114 TRP N N 114 119.829 119.829 121.216 -1.387 25437 4889 1 8 . 1 1 114 114 TRP HA H 114 4.184 4.184 4.475 -0.291 25437 4890 1 8 . 1 1 114 114 TRP CA C 114 61.455 61.455 60.879 0.576 25437 4891 1 8 . 1 1 114 114 TRP CB C 114 26.427 26.427 28.954 -2.527 25437 4892 1 8 . 1 1 114 114 TRP H H 114 7.589 7.589 8.822 -1.232 25437 4893 1 8 . 1 1 115 115 ASN N N 115 117.900 117.900 117.061 0.839 25437 4894 1 8 . 1 1 115 115 ASN HA H 115 4.548 4.548 4.658 -0.110 25437 4895 1 8 . 1 1 115 115 ASN CA C 115 55.955 55.955 54.908 1.046 25437 4896 1 8 . 1 1 115 115 ASN CB C 115 36.818 36.818 38.103 -1.285 25437 4897 1 8 . 1 1 115 115 ASN H H 115 9.503 9.503 8.506 0.997 25437 4898 1 8 . 1 1 116 116 ALA N N 116 123.758 123.758 121.213 2.545 25437 4899 1 8 . 1 1 116 116 ALA HA H 116 4.181 4.181 4.438 -0.257 25437 4900 1 8 . 1 1 116 116 ALA CA C 116 53.111 53.111 53.982 -0.871 25437 4901 1 8 . 1 1 116 116 ALA CB C 116 16.596 16.596 18.739 -2.143 25437 4902 1 8 . 1 1 116 116 ALA H H 116 8.079 8.079 7.904 0.175 25437 4903 1 8 . 1 1 117 117 SER N N 117 116.009 116.009 114.548 1.461 25437 4904 1 8 . 1 1 117 117 SER HA H 117 4.417 4.417 4.118 0.299 25437 4905 1 8 . 1 1 117 117 SER CA C 117 59.433 59.433 60.920 -1.487 25437 4906 1 8 . 1 1 117 117 SER CB C 117 65.026 65.026 63.271 1.755 25437 4907 1 8 . 1 1 117 117 SER H H 117 9.460 9.460 8.178 1.282 25437 4908 1 8 . 1 1 118 118 GLY N N 118 115.031 115.031 109.421 5.610 25437 4909 1 8 . 1 1 118 118 GLY CA C 118 45.197 45.197 45.119 0.078 25437 4910 1 8 . 1 1 118 118 GLY H H 118 10.733 10.733 7.915 2.818 25437 4911 1 8 . 1 1 119 119 ASP N N 119 116.435 116.435 118.077 -1.642 25437 4912 1 8 . 1 1 119 119 ASP HA H 119 4.590 4.590 4.342 0.248 25437 4913 1 8 . 1 1 119 119 ASP CA C 119 53.181 53.181 51.916 1.265 25437 4914 1 8 . 1 1 119 119 ASP CB C 119 43.864 43.864 43.371 0.493 25437 4915 1 8 . 1 1 119 119 ASP H H 119 7.770 7.770 7.577 0.193 25437 4916 1 8 . 1 1 120 120 TYR N N 120 120.253 120.253 119.414 0.839 25437 4917 1 8 . 1 1 120 120 TYR HA H 120 6.088 6.088 4.513 1.575 25437 4918 1 8 . 1 1 120 120 TYR CA C 120 56.003 56.003 57.291 -1.288 25437 4919 1 8 . 1 1 120 120 TYR CB C 120 40.371 40.371 36.528 3.843 25437 4920 1 8 . 1 1 120 120 TYR H H 120 6.801 6.801 8.129 -1.328 25437 4921 1 8 . 1 1 121 121 HIS HA H 121 4.537 4.537 4.534 0.003 25437 4922 1 8 . 1 1 121 121 HIS CA C 121 59.002 59.002 57.653 1.349 25437 4923 1 8 . 1 1 121 121 HIS CB C 121 27.950 27.950 30.805 -2.855 25437 4924 1 8 . 1 1 122 122 ASP N N 122 111.622 111.622 117.951 -6.329 25437 4925 1 8 . 1 1 122 122 ASP HA H 122 4.815 4.815 4.670 0.145 25437 4926 1 8 . 1 1 122 122 ASP CA C 122 51.612 51.612 53.825 -2.213 25437 4927 1 8 . 1 1 122 122 ASP CB C 122 36.980 36.980 40.472 -3.492 25437 4928 1 8 . 1 1 122 122 ASP H H 122 8.154 8.154 8.465 -0.311 25437 4929 1 8 . 1 1 124 124 ILE N N 124 119.763 119.763 115.580 4.183 25437 4930 1 8 . 1 1 124 124 ILE HA H 124 3.843 3.843 3.748 0.095 25437 4931 1 8 . 1 1 124 124 ILE CA C 124 64.714 64.714 63.743 0.971 25437 4932 1 8 . 1 1 124 124 ILE CB C 124 36.859 36.859 37.594 -0.735 25437 4933 1 8 . 1 1 124 124 ILE H H 124 7.639 7.639 8.164 -0.525 25437 4934 1 8 . 1 1 125 125 LYS N N 125 121.010 121.010 119.641 1.369 25437 4935 1 8 . 1 1 125 125 LYS HA H 125 4.109 4.109 3.911 0.198 25437 4936 1 8 . 1 1 125 125 LYS CA C 125 59.241 59.241 58.211 1.030 25437 4937 1 8 . 1 1 125 125 LYS CB C 125 31.985 31.985 31.132 0.853 25437 4938 1 8 . 1 1 125 125 LYS H H 125 7.739 7.739 8.023 -0.284 25437 4939 1 8 . 1 1 126 126 ARG N N 126 115.276 115.276 118.395 -3.119 25437 4940 1 8 . 1 1 126 126 ARG HA H 126 4.338 4.338 4.051 0.287 25437 4941 1 8 . 1 1 126 126 ARG CA C 126 57.189 57.189 57.047 0.142 25437 4942 1 8 . 1 1 126 126 ARG CB C 126 31.015 31.015 30.461 0.554 25437 4943 1 8 . 1 1 126 126 ARG H H 126 7.904 7.904 8.054 -0.150 25437 4944 1 8 . 1 1 127 127 GLY N N 127 107.767 107.767 106.436 1.331 25437 4945 1 8 . 1 1 127 127 GLY CA C 127 45.822 45.822 44.739 1.083 25437 4946 1 8 . 1 1 127 127 GLY H H 127 7.912 7.912 7.781 0.131 25437 4947 1 8 . 1 1 128 128 THR N N 128 107.570 107.570 112.771 -5.201 25437 4948 1 8 . 1 1 128 128 THR HA H 128 4.252 4.252 4.365 -0.113 25437 4949 1 8 . 1 1 128 128 THR CA C 128 60.620 60.620 60.712 -0.092 25437 4950 1 8 . 1 1 128 128 THR CB C 128 69.224 69.224 70.275 -1.051 25437 4951 1 8 . 1 1 128 128 THR H H 128 8.121 8.121 7.488 0.633 25437 4952 1 8 . 1 1 129 129 TYR N N 129 123.143 123.143 120.798 2.345 25437 4953 1 8 . 1 1 129 129 TYR HA H 129 4.173 4.173 4.719 -0.546 25437 4954 1 8 . 1 1 129 129 TYR CA C 129 61.448 61.448 57.389 4.059 25437 4955 1 8 . 1 1 129 129 TYR CB C 129 38.796 38.796 38.578 0.218 25437 4956 1 8 . 1 1 129 129 TYR H H 129 7.209 7.209 8.654 -1.445 25437 4957 1 8 . 1 1 130 130 ASP N N 130 117.930 117.930 121.884 -3.954 25437 4958 1 8 . 1 1 130 130 ASP HA H 130 4.641 4.641 4.473 0.168 25437 4959 1 8 . 1 1 130 130 ASP CA C 130 53.440 53.440 56.285 -2.845 25437 4960 1 8 . 1 1 130 130 ASP CB C 130 43.221 43.221 40.943 2.279 25437 4961 1 8 . 1 1 130 130 ASP H H 130 8.216 8.216 7.694 0.522 25437 4962 1 8 . 1 1 132 132 GLY N N 132 107.481 107.481 109.237 -1.756 25437 4963 1 8 . 1 1 132 132 GLY CA C 132 44.013 44.013 43.890 0.123 25437 4964 1 8 . 1 1 132 132 GLY H H 132 8.304 8.304 6.986 1.318 25437 4965 1 8 . 1 1 133 133 HIS N N 133 117.609 117.609 121.804 -4.195 25437 4966 1 8 . 1 1 133 133 HIS HA H 133 5.430 5.430 4.433 0.997 25437 4967 1 8 . 1 1 133 133 HIS CA C 133 57.155 57.155 57.535 -0.380 25437 4968 1 8 . 1 1 133 133 HIS CB C 133 31.667 31.667 29.888 1.779 25437 4969 1 8 . 1 1 133 133 HIS H H 133 6.942 6.942 7.345 -0.403 25437 4970 1 8 . 1 1 134 134 VAL N N 134 133.201 133.201 122.106 11.095 25437 4971 1 8 . 1 1 134 134 VAL HA H 134 4.254 4.254 4.675 -0.421 25437 4972 1 8 . 1 1 134 134 VAL CA C 134 61.676 61.676 60.581 1.095 25437 4973 1 8 . 1 1 134 134 VAL CB C 134 34.775 34.775 33.396 1.379 25437 4974 1 8 . 1 1 134 134 VAL H H 134 9.127 9.127 8.288 0.839 25437 4975 1 8 . 1 1 135 135 GLU N N 135 119.904 119.904 124.481 -4.577 25437 4976 1 8 . 1 1 135 135 GLU HA H 135 5.458 5.458 5.081 0.377 25437 4977 1 8 . 1 1 135 135 GLU CA C 135 52.126 52.126 53.536 -1.410 25437 4978 1 8 . 1 1 135 135 GLU CB C 135 34.550 34.550 33.568 0.982 25437 4979 1 8 . 1 1 135 135 GLU H H 135 8.501 8.501 8.131 0.370 25437 4980 1 8 . 1 1 136 136 LEU N N 136 119.357 119.357 121.464 -2.107 25437 4981 1 8 . 1 1 136 136 LEU HA H 136 4.432 4.432 4.593 -0.161 25437 4982 1 8 . 1 1 136 136 LEU CA C 136 54.772 54.772 54.809 -0.037 25437 4983 1 8 . 1 1 136 136 LEU CB C 136 42.524 42.524 42.697 -0.173 25437 4984 1 8 . 1 1 136 136 LEU H H 136 8.280 8.280 8.632 -0.352 25437 4985 1 9 . 1 1 3 3 PHE N N 3 121.785 121.785 126.360 -4.575 25437 4986 1 9 . 1 1 3 3 PHE HA H 3 4.792 4.792 4.013 0.779 25437 4987 1 9 . 1 1 3 3 PHE CA C 3 56.407 56.407 59.134 -2.727 25437 4988 1 9 . 1 1 3 3 PHE CB C 3 40.111 40.111 39.329 0.782 25437 4989 1 9 . 1 1 3 3 PHE H H 3 8.534 8.534 8.519 0.015 25437 4990 1 9 . 1 1 4 4 LYS N N 4 119.409 119.409 125.293 -5.884 25437 4991 1 9 . 1 1 4 4 LYS HA H 4 4.452 4.452 4.109 0.343 25437 4992 1 9 . 1 1 4 4 LYS CA C 4 54.774 54.774 54.005 0.769 25437 4993 1 9 . 1 1 4 4 LYS CB C 4 35.710 35.710 34.786 0.924 25437 4994 1 9 . 1 1 4 4 LYS H H 4 8.367 8.367 7.588 0.779 25437 4995 1 9 . 1 1 5 5 PHE N N 5 124.495 124.495 121.259 3.236 25437 4996 1 9 . 1 1 5 5 PHE HA H 5 4.873 4.873 4.470 0.403 25437 4997 1 9 . 1 1 5 5 PHE CA C 5 58.636 58.636 57.243 1.393 25437 4998 1 9 . 1 1 5 5 PHE CB C 5 39.217 39.217 38.087 1.130 25437 4999 1 9 . 1 1 5 5 PHE H H 5 8.603 8.603 7.849 0.754 25437 5000 1 9 . 1 1 6 6 GLY N N 6 108.622 108.622 110.793 -2.171 25437 5001 1 9 . 1 1 6 6 GLY CA C 6 43.819 43.819 44.573 -0.754 25437 5002 1 9 . 1 1 6 6 GLY H H 6 8.559 8.559 8.267 0.292 25437 5003 1 9 . 1 1 7 7 LYS N N 7 119.341 119.341 118.911 0.430 25437 5004 1 9 . 1 1 7 7 LYS HA H 7 3.958 3.958 3.971 -0.013 25437 5005 1 9 . 1 1 7 7 LYS CA C 7 60.087 60.087 59.339 0.748 25437 5006 1 9 . 1 1 7 7 LYS CB C 7 32.399 32.399 32.344 0.055 25437 5007 1 9 . 1 1 7 7 LYS H H 7 8.692 8.692 8.656 0.036 25437 5008 1 9 . 1 1 8 8 ASN N N 8 118.555 118.555 117.758 0.797 25437 5009 1 9 . 1 1 8 8 ASN HA H 8 4.551 4.551 4.623 -0.072 25437 5010 1 9 . 1 1 8 8 ASN CA C 8 56.776 56.776 56.038 0.738 25437 5011 1 9 . 1 1 8 8 ASN CB C 8 36.961 36.961 38.032 -1.071 25437 5012 1 9 . 1 1 8 8 ASN H H 8 9.185 9.185 8.450 0.735 25437 5013 1 9 . 1 1 9 9 SER N N 9 118.632 118.632 116.727 1.905 25437 5014 1 9 . 1 1 9 9 SER HA H 9 4.283 4.283 4.113 0.170 25437 5015 1 9 . 1 1 9 9 SER CA C 9 62.790 62.790 62.471 0.319 25437 5016 1 9 . 1 1 9 9 SER CB C 9 62.790 62.790 62.945 -0.155 25437 5017 1 9 . 1 1 9 9 SER H H 9 8.076 8.076 8.106 -0.030 25437 5018 1 9 . 1 1 10 10 GLU N N 10 120.882 120.882 121.029 -0.147 25437 5019 1 9 . 1 1 10 10 GLU HA H 10 3.977 3.977 4.035 -0.058 25437 5020 1 9 . 1 1 10 10 GLU CA C 10 59.409 59.409 59.588 -0.179 25437 5021 1 9 . 1 1 10 10 GLU CB C 10 28.556 28.556 29.846 -1.290 25437 5022 1 9 . 1 1 10 10 GLU H H 10 8.351 8.351 8.443 -0.092 25437 5023 1 9 . 1 1 11 11 LYS N N 11 120.030 120.030 118.467 1.563 25437 5024 1 9 . 1 1 11 11 LYS HA H 11 4.056 4.056 4.124 -0.068 25437 5025 1 9 . 1 1 11 11 LYS CA C 11 59.477 59.477 58.487 0.990 25437 5026 1 9 . 1 1 11 11 LYS CB C 11 32.032 32.032 31.840 0.192 25437 5027 1 9 . 1 1 11 11 LYS H H 11 7.937 7.937 7.541 0.396 25437 5028 1 9 . 1 1 12 12 GLN N N 12 114.749 114.749 119.286 -4.537 25437 5029 1 9 . 1 1 12 12 GLN HA H 12 4.147 4.147 4.115 0.032 25437 5030 1 9 . 1 1 12 12 GLN CA C 12 57.373 57.373 58.961 -1.588 25437 5031 1 9 . 1 1 12 12 GLN CB C 12 28.511 28.511 28.788 -0.277 25437 5032 1 9 . 1 1 12 12 GLN H H 12 7.562 7.562 7.999 -0.437 25437 5033 1 9 . 1 1 13 13 LEU N N 13 121.751 121.751 118.668 3.083 25437 5034 1 9 . 1 1 13 13 LEU HA H 13 3.880 3.880 4.233 -0.353 25437 5035 1 9 . 1 1 13 13 LEU CA C 13 57.080 57.080 56.194 0.886 25437 5036 1 9 . 1 1 13 13 LEU CB C 13 42.413 42.413 40.354 2.059 25437 5037 1 9 . 1 1 13 13 LEU H H 13 8.725 8.725 8.304 0.421 25437 5038 1 9 . 1 1 14 14 ALA N N 14 116.323 116.323 119.971 -3.648 25437 5039 1 9 . 1 1 14 14 ALA HA H 14 4.070 4.070 4.226 -0.156 25437 5040 1 9 . 1 1 14 14 ALA CA C 14 53.706 53.706 53.933 -0.227 25437 5041 1 9 . 1 1 14 14 ALA CB C 14 18.020 18.020 18.802 -0.782 25437 5042 1 9 . 1 1 14 14 ALA H H 14 7.574 7.574 7.469 0.105 25437 5043 1 9 . 1 1 15 15 THR N N 15 104.034 104.034 110.294 -6.260 25437 5044 1 9 . 1 1 15 15 THR HA H 15 4.431 4.431 4.370 0.061 25437 5045 1 9 . 1 1 15 15 THR CA C 15 62.381 62.381 61.761 0.620 25437 5046 1 9 . 1 1 15 15 THR CB C 15 70.327 70.327 69.849 0.478 25437 5047 1 9 . 1 1 15 15 THR H H 15 7.326 7.326 7.389 -0.063 25437 5048 1 9 . 1 1 16 16 VAL N N 16 112.438 112.438 122.584 -10.146 25437 5049 1 9 . 1 1 16 16 VAL HA H 16 4.922 4.922 3.863 1.059 25437 5050 1 9 . 1 1 16 16 VAL CA C 16 59.661 59.661 63.721 -4.060 25437 5051 1 9 . 1 1 16 16 VAL CB C 16 32.989 32.989 32.914 0.075 25437 5052 1 9 . 1 1 16 16 VAL H H 16 7.164 7.164 7.274 -0.110 25437 5053 1 9 . 1 1 17 17 LYS N N 17 120.729 120.729 128.587 -7.858 25437 5054 1 9 . 1 1 17 17 LYS HA H 17 4.230 4.230 4.332 -0.102 25437 5055 1 9 . 1 1 17 17 LYS CA C 17 55.486 55.486 58.016 -2.530 25437 5056 1 9 . 1 1 17 17 LYS CB C 17 32.079 32.079 30.913 1.166 25437 5057 1 9 . 1 1 17 17 LYS H H 17 8.907 8.907 8.792 0.115 25437 5058 1 9 . 1 1 18 18 PRO HA H 18 4.130 4.130 4.487 -0.357 25437 5059 1 9 . 1 1 18 18 PRO CA C 18 65.813 65.813 63.003 2.810 25437 5060 1 9 . 1 1 18 18 PRO CB C 18 31.864 31.864 32.072 -0.208 25437 5061 1 9 . 1 1 19 19 GLU N N 19 117.608 117.608 117.731 -0.123 25437 5062 1 9 . 1 1 19 19 GLU HA H 19 4.011 4.011 4.420 -0.409 25437 5063 1 9 . 1 1 19 19 GLU CA C 19 61.031 61.031 56.591 4.440 25437 5064 1 9 . 1 1 19 19 GLU CB C 19 29.117 29.117 29.228 -0.111 25437 5065 1 9 . 1 1 19 19 GLU H H 19 9.714 9.714 8.689 1.025 25437 5066 1 9 . 1 1 20 20 LEU N N 20 117.938 117.938 118.536 -0.598 25437 5067 1 9 . 1 1 20 20 LEU HA H 20 4.258 4.258 3.951 0.307 25437 5068 1 9 . 1 1 20 20 LEU CA C 20 56.261 56.261 58.190 -1.929 25437 5069 1 9 . 1 1 20 20 LEU CB C 20 41.894 41.894 40.737 1.157 25437 5070 1 9 . 1 1 20 20 LEU H H 20 7.188 7.188 7.914 -0.726 25437 5071 1 9 . 1 1 21 21 GLN N N 21 118.367 118.367 118.475 -0.108 25437 5072 1 9 . 1 1 21 21 GLN HA H 21 3.831 3.831 3.963 -0.132 25437 5073 1 9 . 1 1 21 21 GLN CA C 21 60.100 60.100 58.677 1.423 25437 5074 1 9 . 1 1 21 21 GLN CB C 21 27.745 27.745 27.439 0.306 25437 5075 1 9 . 1 1 21 21 GLN H H 21 7.805 7.805 8.494 -0.689 25437 5076 1 9 . 1 1 22 22 LYS N N 22 116.715 116.715 120.018 -3.303 25437 5077 1 9 . 1 1 22 22 LYS HA H 22 3.962 3.962 3.982 -0.020 25437 5078 1 9 . 1 1 22 22 LYS CA C 22 59.816 59.816 59.453 0.363 25437 5079 1 9 . 1 1 22 22 LYS CB C 22 32.520 32.520 32.043 0.477 25437 5080 1 9 . 1 1 22 22 LYS H H 22 8.143 8.143 8.064 0.079 25437 5081 1 9 . 1 1 23 23 VAL N N 23 118.397 118.397 119.127 -0.730 25437 5082 1 9 . 1 1 23 23 VAL HA H 23 3.591 3.591 3.611 -0.020 25437 5083 1 9 . 1 1 23 23 VAL CA C 23 66.313 66.313 65.665 0.648 25437 5084 1 9 . 1 1 23 23 VAL CB C 23 31.529 31.529 30.956 0.573 25437 5085 1 9 . 1 1 23 23 VAL H H 23 7.715 7.715 7.552 0.163 25437 5086 1 9 . 1 1 24 24 ALA N N 24 121.929 121.929 122.308 -0.379 25437 5087 1 9 . 1 1 24 24 ALA HA H 24 4.024 4.024 3.509 0.515 25437 5088 1 9 . 1 1 24 24 ALA CA C 24 55.444 55.444 55.429 0.015 25437 5089 1 9 . 1 1 24 24 ALA CB C 24 18.086 18.086 18.470 -0.383 25437 5090 1 9 . 1 1 24 24 ALA H H 24 8.307 8.307 7.444 0.863 25437 5091 1 9 . 1 1 25 25 ARG N N 25 114.491 114.491 117.393 -2.902 25437 5092 1 9 . 1 1 25 25 ARG HA H 25 4.114 4.114 4.190 -0.076 25437 5093 1 9 . 1 1 25 25 ARG CA C 25 60.717 60.717 59.125 1.592 25437 5094 1 9 . 1 1 25 25 ARG CB C 25 29.257 29.257 29.858 -0.601 25437 5095 1 9 . 1 1 25 25 ARG H H 25 8.224 8.224 8.347 -0.123 25437 5096 1 9 . 1 1 26 26 ARG N N 26 119.944 119.944 118.826 1.118 25437 5097 1 9 . 1 1 26 26 ARG HA H 26 4.223 4.223 4.101 0.122 25437 5098 1 9 . 1 1 26 26 ARG CA C 26 57.097 57.097 59.107 -2.010 25437 5099 1 9 . 1 1 26 26 ARG CB C 26 28.888 28.888 30.084 -1.196 25437 5100 1 9 . 1 1 26 26 ARG H H 26 7.703 7.703 8.084 -0.381 25437 5101 1 9 . 1 1 27 27 ALA N N 27 122.041 122.041 123.210 -1.169 25437 5102 1 9 . 1 1 27 27 ALA HA H 27 3.611 3.611 3.985 -0.374 25437 5103 1 9 . 1 1 27 27 ALA CA C 27 55.249 55.249 54.823 0.426 25437 5104 1 9 . 1 1 27 27 ALA CB C 27 15.829 15.829 17.775 -1.946 25437 5105 1 9 . 1 1 27 27 ALA H H 27 8.754 8.754 8.073 0.681 25437 5106 1 9 . 1 1 28 28 LEU N N 28 117.421 117.421 118.753 -1.332 25437 5107 1 9 . 1 1 28 28 LEU HA H 28 4.053 4.053 4.249 -0.196 25437 5108 1 9 . 1 1 28 28 LEU CA C 28 57.757 57.757 58.112 -0.355 25437 5109 1 9 . 1 1 28 28 LEU CB C 28 40.351 40.351 42.103 -1.752 25437 5110 1 9 . 1 1 28 28 LEU H H 28 7.657 7.657 7.954 -0.297 25437 5111 1 9 . 1 1 29 29 GLU N N 29 114.911 114.911 117.334 -2.423 25437 5112 1 9 . 1 1 29 29 GLU HA H 29 4.023 4.023 4.110 -0.087 25437 5113 1 9 . 1 1 29 29 GLU CA C 29 58.489 58.489 58.129 0.360 25437 5114 1 9 . 1 1 29 29 GLU CB C 29 29.540 29.540 29.929 -0.389 25437 5115 1 9 . 1 1 29 29 GLU H H 29 7.039 7.039 7.412 -0.373 25437 5116 1 9 . 1 1 30 30 LEU N N 30 117.166 117.166 118.872 -1.706 25437 5117 1 9 . 1 1 30 30 LEU HA H 30 4.281 4.281 3.980 0.301 25437 5118 1 9 . 1 1 30 30 LEU CA C 30 55.266 55.266 56.665 -1.399 25437 5119 1 9 . 1 1 30 30 LEU CB C 30 44.403 44.403 42.339 2.064 25437 5120 1 9 . 1 1 30 30 LEU H H 30 7.353 7.353 7.851 -0.498 25437 5121 1 9 . 1 1 31 31 SER N N 31 116.260 116.260 113.699 2.561 25437 5122 1 9 . 1 1 31 31 SER HA H 31 4.557 4.557 4.222 0.335 25437 5123 1 9 . 1 1 31 31 SER CA C 31 55.723 55.723 57.054 -1.331 25437 5124 1 9 . 1 1 31 31 SER CB C 31 65.560 65.560 63.698 1.862 25437 5125 1 9 . 1 1 31 31 SER H H 31 7.742 7.742 7.886 -0.144 25437 5126 1 9 . 1 1 32 32 PRO HA H 32 4.609 4.609 4.203 0.406 25437 5127 1 9 . 1 1 32 32 PRO CA C 32 63.483 63.483 63.818 -0.335 25437 5128 1 9 . 1 1 32 32 PRO CB C 32 31.236 31.236 31.610 -0.374 25437 5129 1 9 . 1 1 33 33 TYR N N 33 114.714 114.714 117.198 -2.484 25437 5130 1 9 . 1 1 33 33 TYR HA H 33 4.710 4.710 4.797 -0.087 25437 5131 1 9 . 1 1 33 33 TYR CA C 33 56.742 56.742 55.213 1.529 25437 5132 1 9 . 1 1 33 33 TYR CB C 33 41.506 41.506 40.100 1.405 25437 5133 1 9 . 1 1 33 33 TYR H H 33 7.727 7.727 7.102 0.625 25437 5134 1 9 . 1 1 34 34 ASP N N 34 125.197 125.197 118.876 6.321 25437 5135 1 9 . 1 1 34 34 ASP HA H 34 3.524 3.524 4.793 -1.269 25437 5136 1 9 . 1 1 34 34 ASP CA C 34 52.353 52.353 54.253 -1.900 25437 5137 1 9 . 1 1 34 34 ASP CB C 34 37.720 37.720 42.425 -4.705 25437 5138 1 9 . 1 1 34 34 ASP H H 34 8.630 8.630 8.660 -0.030 25437 5139 1 9 . 1 1 35 35 PHE N N 35 115.803 115.803 113.568 2.235 25437 5140 1 9 . 1 1 35 35 PHE HA H 35 5.131 5.131 5.413 -0.282 25437 5141 1 9 . 1 1 35 35 PHE CA C 35 55.839 55.839 57.059 -1.220 25437 5142 1 9 . 1 1 35 35 PHE CB C 35 40.751 40.751 42.215 -1.464 25437 5143 1 9 . 1 1 35 35 PHE H H 35 7.250 7.250 8.202 -0.952 25437 5144 1 9 . 1 1 36 36 THR N N 36 113.338 113.338 118.096 -4.758 25437 5145 1 9 . 1 1 36 36 THR HA H 36 4.769 4.769 4.419 0.350 25437 5146 1 9 . 1 1 36 36 THR CA C 36 58.833 58.833 59.280 -0.447 25437 5147 1 9 . 1 1 36 36 THR CB C 36 71.387 71.387 69.775 1.612 25437 5148 1 9 . 1 1 36 36 THR H H 36 9.026 9.026 8.725 0.301 25437 5149 1 9 . 1 1 37 37 ILE N N 37 124.219 124.219 128.569 -4.350 25437 5150 1 9 . 1 1 37 37 ILE HA H 37 4.676 4.676 4.246 0.430 25437 5151 1 9 . 1 1 37 37 ILE CA C 37 58.395 58.395 62.380 -3.985 25437 5152 1 9 . 1 1 37 37 ILE CB C 37 34.649 34.649 37.316 -2.667 25437 5153 1 9 . 1 1 37 37 ILE H H 37 8.476 8.476 8.987 -0.511 25437 5154 1 9 . 1 1 38 38 VAL N N 38 124.271 124.271 126.420 -2.149 25437 5155 1 9 . 1 1 38 38 VAL HA H 38 3.981 3.981 4.255 -0.274 25437 5156 1 9 . 1 1 38 38 VAL CA C 38 63.144 63.144 62.948 0.196 25437 5157 1 9 . 1 1 38 38 VAL CB C 38 32.658 32.658 33.011 -0.353 25437 5158 1 9 . 1 1 38 38 VAL H H 38 8.640 8.640 8.480 0.160 25437 5159 1 9 . 1 1 39 39 GLN N N 39 115.210 115.210 117.157 -1.947 25437 5160 1 9 . 1 1 39 39 GLN HA H 39 4.378 4.378 5.108 -0.730 25437 5161 1 9 . 1 1 39 39 GLN CA C 39 56.197 56.197 55.206 0.991 25437 5162 1 9 . 1 1 39 39 GLN CB C 39 33.463 33.463 33.157 0.306 25437 5163 1 9 . 1 1 39 39 GLN H H 39 7.305 7.305 7.916 -0.611 25437 5164 1 9 . 1 1 40 40 GLY N N 40 116.022 116.022 110.631 5.391 25437 5165 1 9 . 1 1 40 40 GLY CA C 40 45.347 45.347 45.380 -0.033 25437 5166 1 9 . 1 1 40 40 GLY H H 40 8.851 8.851 9.443 -0.592 25437 5167 1 9 . 1 1 41 41 ILE N N 41 132.358 132.358 120.234 12.124 25437 5168 1 9 . 1 1 41 41 ILE HA H 41 4.715 4.715 4.519 0.196 25437 5169 1 9 . 1 1 41 41 ILE CA C 41 61.575 61.575 58.831 2.744 25437 5170 1 9 . 1 1 41 41 ILE CB C 41 38.774 38.774 41.716 -2.942 25437 5171 1 9 . 1 1 41 41 ILE H H 41 8.776 8.776 7.955 0.821 25437 5172 1 9 . 1 1 42 42 ARG N N 42 123.358 123.358 127.396 -4.038 25437 5173 1 9 . 1 1 42 42 ARG HA H 42 4.725 4.725 4.745 -0.020 25437 5174 1 9 . 1 1 42 42 ARG CA C 42 54.576 54.576 55.082 -0.506 25437 5175 1 9 . 1 1 42 42 ARG CB C 42 33.425 33.425 30.692 2.733 25437 5176 1 9 . 1 1 42 42 ARG H H 42 7.154 7.154 8.471 -1.317 25437 5177 1 9 . 1 1 43 43 THR N N 43 115.494 115.494 118.273 -2.779 25437 5178 1 9 . 1 1 43 43 THR HA H 43 4.539 4.539 4.613 -0.074 25437 5179 1 9 . 1 1 43 43 THR CA C 43 61.022 61.022 61.239 -0.217 25437 5180 1 9 . 1 1 43 43 THR CB C 43 70.577 70.577 69.942 0.635 25437 5181 1 9 . 1 1 43 43 THR H H 43 8.519 8.519 8.082 0.438 25437 5182 1 9 . 1 1 44 44 VAL N N 44 121.526 121.526 115.322 6.204 25437 5183 1 9 . 1 1 44 44 VAL HA H 44 3.956 3.956 4.131 -0.175 25437 5184 1 9 . 1 1 44 44 VAL CA C 44 63.977 63.977 64.304 -0.327 25437 5185 1 9 . 1 1 44 44 VAL CB C 44 32.313 32.313 31.183 1.130 25437 5186 1 9 . 1 1 44 44 VAL H H 44 8.516 8.516 8.248 0.268 25437 5187 1 9 . 1 1 45 45 ALA N N 45 125.457 125.457 121.661 3.796 25437 5188 1 9 . 1 1 45 45 ALA HA H 45 4.260 4.260 4.389 -0.129 25437 5189 1 9 . 1 1 45 45 ALA CA C 45 53.278 53.278 53.467 -0.189 25437 5190 1 9 . 1 1 45 45 ALA CB C 45 18.641 18.641 19.520 -0.879 25437 5191 1 9 . 1 1 45 45 ALA H H 45 8.311 8.311 7.963 0.348 25437 5192 1 9 . 1 1 46 46 GLN N N 46 118.271 118.271 120.077 -1.806 25437 5193 1 9 . 1 1 46 46 GLN HA H 46 4.232 4.232 3.976 0.256 25437 5194 1 9 . 1 1 46 46 GLN CA C 46 56.717 56.717 59.363 -2.646 25437 5195 1 9 . 1 1 46 46 GLN CB C 46 28.901 28.901 28.705 0.196 25437 5196 1 9 . 1 1 46 46 GLN H H 46 8.109 8.109 8.496 -0.387 25437 5197 1 9 . 1 1 47 47 SER N N 47 116.127 116.127 114.784 1.343 25437 5198 1 9 . 1 1 47 47 SER HA H 47 4.361 4.361 4.147 0.214 25437 5199 1 9 . 1 1 47 47 SER CA C 47 59.082 59.082 60.508 -1.426 25437 5200 1 9 . 1 1 47 47 SER CB C 47 64.009 64.009 63.076 0.933 25437 5201 1 9 . 1 1 47 47 SER H H 47 8.199 8.199 7.946 0.253 25437 5202 1 9 . 1 1 48 48 ALA N N 48 124.628 124.628 122.939 1.689 25437 5203 1 9 . 1 1 48 48 ALA HA H 48 4.253 4.253 4.244 0.009 25437 5204 1 9 . 1 1 48 48 ALA CA C 48 53.325 53.325 54.283 -0.958 25437 5205 1 9 . 1 1 48 48 ALA CB C 48 18.552 18.552 18.573 -0.021 25437 5206 1 9 . 1 1 48 48 ALA H H 48 8.315 8.315 8.132 0.183 25437 5207 1 9 . 1 1 49 49 GLN N N 49 119.160 119.160 118.680 0.480 25437 5208 1 9 . 1 1 49 49 GLN HA H 49 4.232 4.232 4.100 0.132 25437 5209 1 9 . 1 1 49 49 GLN CA C 49 56.850 56.850 57.682 -0.832 25437 5210 1 9 . 1 1 49 49 GLN CB C 49 28.992 28.992 28.547 0.445 25437 5211 1 9 . 1 1 49 49 GLN H H 49 8.153 8.153 7.935 0.218 25437 5212 1 9 . 1 1 50 50 ASN N N 50 119.112 119.112 119.476 -0.364 25437 5213 1 9 . 1 1 50 50 ASN HA H 50 4.660 4.660 4.554 0.106 25437 5214 1 9 . 1 1 50 50 ASN CA C 50 53.572 53.572 56.766 -3.194 25437 5215 1 9 . 1 1 50 50 ASN CB C 50 38.376 38.376 38.398 -0.022 25437 5216 1 9 . 1 1 50 50 ASN H H 50 8.205 8.205 8.171 0.034 25437 5217 1 9 . 1 1 51 51 ILE N N 51 120.639 120.639 116.472 4.167 25437 5218 1 9 . 1 1 51 51 ILE HA H 51 4.095 4.095 3.939 0.156 25437 5219 1 9 . 1 1 51 51 ILE CA C 51 61.954 61.954 63.613 -1.659 25437 5220 1 9 . 1 1 51 51 ILE CB C 51 38.414 38.414 37.335 1.079 25437 5221 1 9 . 1 1 51 51 ILE H H 51 7.939 7.939 7.382 0.557 25437 5222 1 9 . 1 1 52 52 ALA N N 52 126.459 126.459 121.226 5.233 25437 5223 1 9 . 1 1 52 52 ALA HA H 52 4.246 4.246 4.174 0.072 25437 5224 1 9 . 1 1 52 52 ALA CA C 52 53.189 53.189 53.541 -0.352 25437 5225 1 9 . 1 1 52 52 ALA CB C 52 18.453 18.453 18.081 0.372 25437 5226 1 9 . 1 1 52 52 ALA H H 52 8.251 8.251 8.195 0.056 25437 5227 1 9 . 1 1 53 53 ASN N N 53 116.801 116.801 117.128 -0.327 25437 5228 1 9 . 1 1 53 53 ASN HA H 53 4.648 4.648 4.433 0.215 25437 5229 1 9 . 1 1 53 53 ASN CA C 53 53.425 53.425 55.260 -1.835 25437 5230 1 9 . 1 1 53 53 ASN CB C 53 38.600 38.600 38.642 -0.042 25437 5231 1 9 . 1 1 53 53 ASN H H 53 8.230 8.230 8.187 0.043 25437 5232 1 9 . 1 1 54 54 GLY N N 54 108.549 108.549 105.156 3.393 25437 5233 1 9 . 1 1 54 54 GLY CA C 54 45.746 45.746 45.254 0.492 25437 5234 1 9 . 1 1 54 54 GLY H H 54 8.191 8.191 7.714 0.477 25437 5235 1 9 . 1 1 55 55 THR N N 55 112.528 112.528 114.569 -2.041 25437 5236 1 9 . 1 1 55 55 THR HA H 55 4.282 4.282 4.665 -0.383 25437 5237 1 9 . 1 1 55 55 THR CA C 55 62.118 62.118 60.111 2.007 25437 5238 1 9 . 1 1 55 55 THR CB C 55 69.796 69.796 70.594 -0.798 25437 5239 1 9 . 1 1 55 55 THR H H 55 8.003 8.003 7.698 0.305 25437 5240 1 9 . 1 1 56 56 SER N N 56 116.986 116.986 122.279 -5.293 25437 5241 1 9 . 1 1 56 56 SER HA H 56 4.362 4.362 4.432 -0.070 25437 5242 1 9 . 1 1 56 56 SER CA C 56 58.454 58.454 59.448 -0.994 25437 5243 1 9 . 1 1 56 56 SER CB C 56 63.762 63.762 63.167 0.595 25437 5244 1 9 . 1 1 56 56 SER H H 56 8.043 8.043 8.753 -0.710 25437 5245 1 9 . 1 1 57 57 PHE N N 57 121.981 121.981 121.159 0.822 25437 5246 1 9 . 1 1 57 57 PHE HA H 57 4.579 4.579 4.277 0.302 25437 5247 1 9 . 1 1 57 57 PHE CA C 57 57.929 57.929 60.891 -2.962 25437 5248 1 9 . 1 1 57 57 PHE CB C 57 39.068 39.068 39.389 -0.320 25437 5249 1 9 . 1 1 57 57 PHE H H 57 8.120 8.120 8.101 0.019 25437 5250 1 9 . 1 1 58 58 LEU N N 58 121.621 121.621 118.727 2.894 25437 5251 1 9 . 1 1 58 58 LEU HA H 58 4.174 4.174 4.535 -0.361 25437 5252 1 9 . 1 1 58 58 LEU CA C 58 55.350 55.350 53.791 1.559 25437 5253 1 9 . 1 1 58 58 LEU CB C 58 42.340 42.340 40.547 1.794 25437 5254 1 9 . 1 1 58 58 LEU H H 58 7.806 7.806 7.639 0.167 25437 5255 1 9 . 1 1 59 59 LYS N N 59 120.388 120.388 120.082 0.306 25437 5256 1 9 . 1 1 59 59 LYS HA H 59 4.230 4.230 4.065 0.165 25437 5257 1 9 . 1 1 59 59 LYS CA C 59 55.823 55.823 57.016 -1.193 25437 5258 1 9 . 1 1 59 59 LYS CB C 59 32.616 32.616 31.694 0.922 25437 5259 1 9 . 1 1 59 59 LYS H H 59 8.068 8.068 7.406 0.662 25437 5260 1 9 . 1 1 60 60 ASP N N 60 121.094 121.094 124.557 -3.463 25437 5261 1 9 . 1 1 60 60 ASP HA H 60 4.828 4.828 4.998 -0.170 25437 5262 1 9 . 1 1 60 60 ASP CA C 60 53.698 53.698 51.108 2.590 25437 5263 1 9 . 1 1 60 60 ASP CB C 60 41.652 41.652 41.815 -0.163 25437 5264 1 9 . 1 1 60 60 ASP H H 60 7.959 7.959 8.230 -0.271 25437 5265 1 9 . 1 1 61 61 PRO HA H 61 4.388 4.388 4.476 -0.088 25437 5266 1 9 . 1 1 61 61 PRO CA C 61 63.263 63.263 64.144 -0.881 25437 5267 1 9 . 1 1 61 61 PRO CB C 61 31.697 31.697 32.102 -0.406 25437 5268 1 9 . 1 1 62 62 SER N N 62 115.353 115.353 112.494 2.859 25437 5269 1 9 . 1 1 62 62 SER HA H 62 4.365 4.365 4.477 -0.112 25437 5270 1 9 . 1 1 62 62 SER CA C 62 59.258 59.258 56.547 2.711 25437 5271 1 9 . 1 1 62 62 SER CB C 62 63.634 63.634 62.005 1.629 25437 5272 1 9 . 1 1 62 62 SER H H 62 8.420 8.420 8.168 0.252 25437 5273 1 9 . 1 1 63 63 LYS N N 63 122.360 122.360 120.733 1.627 25437 5274 1 9 . 1 1 63 63 LYS HA H 63 4.266 4.266 4.211 0.055 25437 5275 1 9 . 1 1 63 63 LYS CA C 63 56.628 56.628 58.235 -1.607 25437 5276 1 9 . 1 1 63 63 LYS CB C 63 29.327 29.327 32.524 -3.197 25437 5277 1 9 . 1 1 63 63 LYS H H 63 8.405 8.405 7.851 0.554 25437 5278 1 9 . 1 1 65 65 LYS N N 65 125.418 125.418 122.719 2.699 25437 5279 1 9 . 1 1 65 65 LYS HA H 65 4.146 4.146 4.426 -0.280 25437 5280 1 9 . 1 1 65 65 LYS CA C 65 63.350 63.350 56.034 7.316 25437 5281 1 9 . 1 1 65 65 LYS CB C 65 31.891 31.891 32.317 -0.426 25437 5282 1 9 . 1 1 65 65 LYS H H 65 8.369 8.369 8.979 -0.610 25437 5283 1 9 . 1 1 66 66 HIS N N 66 121.236 121.236 119.357 1.879 25437 5284 1 9 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.404 0.141 25437 5285 1 9 . 1 1 66 66 HIS CA C 66 59.256 59.256 59.119 0.137 25437 5286 1 9 . 1 1 66 66 HIS CB C 66 28.619 28.619 29.741 -1.122 25437 5287 1 9 . 1 1 66 66 HIS H H 66 8.758 8.758 8.460 0.298 25437 5288 1 9 . 1 1 67 67 ILE N N 67 120.137 120.137 117.559 2.578 25437 5289 1 9 . 1 1 67 67 ILE HA H 67 4.372 4.372 3.967 0.405 25437 5290 1 9 . 1 1 67 67 ILE CA C 67 63.961 63.961 62.792 1.169 25437 5291 1 9 . 1 1 67 67 ILE CB C 67 37.935 37.935 36.486 1.449 25437 5292 1 9 . 1 1 67 67 ILE H H 67 7.849 7.849 8.000 -0.151 25437 5293 1 9 . 1 1 68 68 THR N N 68 104.067 104.067 107.160 -3.093 25437 5294 1 9 . 1 1 68 68 THR HA H 68 4.397 4.397 4.357 0.040 25437 5295 1 9 . 1 1 68 68 THR CA C 68 61.343 61.343 61.839 -0.496 25437 5296 1 9 . 1 1 68 68 THR CB C 68 68.473 68.473 69.299 -0.826 25437 5297 1 9 . 1 1 68 68 THR H H 68 7.168 7.168 7.686 -0.518 25437 5298 1 9 . 1 1 69 69 GLY N N 69 107.308 107.308 110.475 -3.167 25437 5299 1 9 . 1 1 69 69 GLY CA C 69 46.665 46.665 46.188 0.478 25437 5300 1 9 . 1 1 69 69 GLY H H 69 7.169 7.169 7.683 -0.514 25437 5301 1 9 . 1 1 70 70 ASP N N 70 114.629 114.629 119.707 -5.078 25437 5302 1 9 . 1 1 70 70 ASP HA H 70 4.734 4.734 4.688 0.046 25437 5303 1 9 . 1 1 70 70 ASP CA C 70 54.627 54.627 54.560 0.067 25437 5304 1 9 . 1 1 70 70 ASP CB C 70 44.451 44.451 40.972 3.479 25437 5305 1 9 . 1 1 70 70 ASP H H 70 7.644 7.644 7.725 -0.081 25437 5306 1 9 . 1 1 71 71 ALA N N 71 118.917 118.917 118.013 0.904 25437 5307 1 9 . 1 1 71 71 ALA HA H 71 5.062 5.062 4.758 0.304 25437 5308 1 9 . 1 1 71 71 ALA CA C 71 51.498 51.498 51.467 0.031 25437 5309 1 9 . 1 1 71 71 ALA CB C 71 21.994 21.994 21.944 0.050 25437 5310 1 9 . 1 1 71 71 ALA H H 71 7.529 7.529 7.394 0.135 25437 5311 1 9 . 1 1 72 72 ILE N N 72 110.818 110.818 114.529 -3.711 25437 5312 1 9 . 1 1 72 72 ILE HA H 72 5.249 5.249 4.557 0.692 25437 5313 1 9 . 1 1 72 72 ILE CA C 72 58.821 58.821 60.414 -1.593 25437 5314 1 9 . 1 1 72 72 ILE CB C 72 43.709 43.709 42.054 1.655 25437 5315 1 9 . 1 1 72 72 ILE H H 72 8.449 8.449 8.853 -0.404 25437 5316 1 9 . 1 1 73 73 ASP N N 73 117.790 117.790 120.911 -3.121 25437 5317 1 9 . 1 1 73 73 ASP HA H 73 6.094 6.094 5.437 0.657 25437 5318 1 9 . 1 1 73 73 ASP CA C 73 52.090 52.090 53.059 -0.969 25437 5319 1 9 . 1 1 73 73 ASP CB C 73 42.655 42.655 45.423 -2.768 25437 5320 1 9 . 1 1 73 73 ASP H H 73 8.442 8.442 8.855 -0.413 25437 5321 1 9 . 1 1 74 74 PHE N N 74 122.479 122.479 117.475 5.004 25437 5322 1 9 . 1 1 74 74 PHE HA H 74 6.173 6.173 5.288 0.885 25437 5323 1 9 . 1 1 74 74 PHE CA C 74 54.775 54.775 56.275 -1.500 25437 5324 1 9 . 1 1 74 74 PHE CB C 74 44.115 44.115 42.348 1.767 25437 5325 1 9 . 1 1 74 74 PHE H H 74 9.463 9.463 8.139 1.324 25437 5326 1 9 . 1 1 75 75 ALA N N 75 118.862 118.862 121.511 -2.649 25437 5327 1 9 . 1 1 75 75 ALA HA H 75 4.453 4.453 4.247 0.206 25437 5328 1 9 . 1 1 75 75 ALA CA C 75 50.134 50.134 48.776 1.358 25437 5329 1 9 . 1 1 75 75 ALA CB C 75 21.020 21.020 20.918 0.102 25437 5330 1 9 . 1 1 75 75 ALA H H 75 8.575 8.575 9.185 -0.610 25437 5331 1 9 . 1 1 76 76 PRO HA H 76 4.466 4.466 4.658 -0.192 25437 5332 1 9 . 1 1 76 76 PRO CA C 76 62.353 62.353 62.819 -0.466 25437 5333 1 9 . 1 1 76 76 PRO CB C 76 32.135 32.135 30.966 1.169 25437 5334 1 9 . 1 1 77 77 TYR N N 77 126.211 126.211 126.107 0.104 25437 5335 1 9 . 1 1 77 77 TYR HA H 77 4.835 4.835 4.617 0.218 25437 5336 1 9 . 1 1 77 77 TYR CA C 77 56.830 56.830 59.036 -2.206 25437 5337 1 9 . 1 1 77 77 TYR CB C 77 40.384 40.384 40.458 -0.074 25437 5338 1 9 . 1 1 77 77 TYR H H 77 8.357 8.357 8.467 -0.110 25437 5339 1 9 . 1 1 78 78 ILE N N 78 124.613 124.613 124.778 -0.165 25437 5340 1 9 . 1 1 78 78 ILE HA H 78 4.210 4.210 4.268 -0.058 25437 5341 1 9 . 1 1 78 78 ILE CA C 78 59.941 59.941 60.667 -0.726 25437 5342 1 9 . 1 1 78 78 ILE CB C 78 40.652 40.652 41.582 -0.930 25437 5343 1 9 . 1 1 78 78 ILE H H 78 8.334 8.334 9.035 -0.701 25437 5344 1 9 . 1 1 79 79 ASN N N 79 126.361 126.361 124.326 2.035 25437 5345 1 9 . 1 1 79 79 ASN HA H 79 4.339 4.339 4.415 -0.076 25437 5346 1 9 . 1 1 79 79 ASN CA C 79 53.937 53.937 53.916 0.021 25437 5347 1 9 . 1 1 79 79 ASN CB C 79 36.887 36.887 37.552 -0.665 25437 5348 1 9 . 1 1 79 79 ASN H H 79 9.444 9.444 9.191 0.253 25437 5349 1 9 . 1 1 80 80 GLY N N 80 102.068 102.068 101.796 0.272 25437 5350 1 9 . 1 1 80 80 GLY CA C 80 45.663 45.663 45.991 -0.328 25437 5351 1 9 . 1 1 80 80 GLY H H 80 8.240 8.240 8.801 -0.561 25437 5352 1 9 . 1 1 81 81 LYS N N 81 117.260 117.260 117.518 -0.258 25437 5353 1 9 . 1 1 81 81 LYS HA H 81 4.534 4.534 4.343 0.191 25437 5354 1 9 . 1 1 81 81 LYS CA C 81 54.226 54.226 54.252 -0.026 25437 5355 1 9 . 1 1 81 81 LYS CB C 81 35.655 35.655 36.217 -0.562 25437 5356 1 9 . 1 1 81 81 LYS H H 81 7.046 7.046 7.485 -0.439 25437 5357 1 9 . 1 1 82 82 ILE N N 82 122.347 122.347 120.740 1.607 25437 5358 1 9 . 1 1 82 82 ILE HA H 82 4.091 4.091 3.387 0.704 25437 5359 1 9 . 1 1 82 82 ILE CA C 82 62.621 62.621 62.156 0.465 25437 5360 1 9 . 1 1 82 82 ILE CB C 82 37.833 37.833 37.960 -0.127 25437 5361 1 9 . 1 1 82 82 ILE H H 82 8.418 8.418 8.200 0.218 25437 5362 1 9 . 1 1 83 83 ASP N N 83 128.498 128.498 127.184 1.314 25437 5363 1 9 . 1 1 83 83 ASP HA H 83 4.808 4.808 4.755 0.053 25437 5364 1 9 . 1 1 83 83 ASP CA C 83 51.619 51.619 53.374 -1.755 25437 5365 1 9 . 1 1 83 83 ASP CB C 83 41.079 41.079 40.264 0.815 25437 5366 1 9 . 1 1 83 83 ASP H H 83 8.028 8.028 8.090 -0.062 25437 5367 1 9 . 1 1 84 84 TRP N N 84 121.807 121.807 123.056 -1.249 25437 5368 1 9 . 1 1 84 84 TRP HA H 84 4.574 4.574 4.704 -0.130 25437 5369 1 9 . 1 1 84 84 TRP CA C 84 58.456 58.456 58.518 -0.062 25437 5370 1 9 . 1 1 84 84 TRP CB C 84 30.177 30.177 30.781 -0.604 25437 5371 1 9 . 1 1 84 84 TRP H H 84 8.081 8.081 8.133 -0.052 25437 5372 1 9 . 1 1 85 85 ASN N N 85 113.227 113.227 116.011 -2.784 25437 5373 1 9 . 1 1 85 85 ASN HA H 85 4.975 4.975 4.934 0.041 25437 5374 1 9 . 1 1 85 85 ASN CA C 85 53.430 53.430 52.966 0.464 25437 5375 1 9 . 1 1 85 85 ASN CB C 85 40.162 40.162 39.800 0.362 25437 5376 1 9 . 1 1 85 85 ASN H H 85 8.386 8.386 8.301 0.085 25437 5377 1 9 . 1 1 86 86 ASP N N 86 118.821 118.821 121.176 -2.355 25437 5378 1 9 . 1 1 86 86 ASP HA H 86 4.813 4.813 4.908 -0.095 25437 5379 1 9 . 1 1 86 86 ASP CA C 86 52.255 52.255 53.250 -0.995 25437 5380 1 9 . 1 1 86 86 ASP CB C 86 37.613 37.613 40.392 -2.779 25437 5381 1 9 . 1 1 86 86 ASP H H 86 7.405 7.405 7.965 -0.560 25437 5382 1 9 . 1 1 87 87 LEU N N 87 127.177 127.177 120.788 6.389 25437 5383 1 9 . 1 1 87 87 LEU HA H 87 4.055 4.055 4.339 -0.284 25437 5384 1 9 . 1 1 87 87 LEU CA C 87 58.321 58.321 57.004 1.317 25437 5385 1 9 . 1 1 87 87 LEU CB C 87 40.887 40.887 42.060 -1.173 25437 5386 1 9 . 1 1 87 87 LEU H H 87 8.274 8.274 8.142 0.132 25437 5387 1 9 . 1 1 88 88 GLU N N 88 114.132 114.132 121.198 -7.066 25437 5388 1 9 . 1 1 88 88 GLU HA H 88 3.938 3.938 4.012 -0.074 25437 5389 1 9 . 1 1 88 88 GLU CA C 88 59.437 59.437 59.458 -0.021 25437 5390 1 9 . 1 1 88 88 GLU CB C 88 27.987 27.987 29.351 -1.364 25437 5391 1 9 . 1 1 88 88 GLU H H 88 8.257 8.257 8.548 -0.291 25437 5392 1 9 . 1 1 89 89 ALA N N 89 122.075 122.075 120.319 1.756 25437 5393 1 9 . 1 1 89 89 ALA HA H 89 3.799 3.799 4.383 -0.584 25437 5394 1 9 . 1 1 89 89 ALA CA C 89 54.703 54.703 54.358 0.345 25437 5395 1 9 . 1 1 89 89 ALA CB C 89 17.635 17.635 18.043 -0.408 25437 5396 1 9 . 1 1 89 89 ALA H H 89 7.418 7.418 8.168 -0.750 25437 5397 1 9 . 1 1 90 90 PHE N N 90 116.551 116.551 120.802 -4.251 25437 5398 1 9 . 1 1 90 90 PHE HA H 90 4.025 4.025 4.193 -0.168 25437 5399 1 9 . 1 1 90 90 PHE CA C 90 64.150 64.150 62.348 1.802 25437 5400 1 9 . 1 1 90 90 PHE CB C 90 38.965 38.965 38.967 -0.002 25437 5401 1 9 . 1 1 90 90 PHE H H 90 7.777 7.777 7.484 0.293 25437 5402 1 9 . 1 1 91 91 TRP N N 91 119.390 119.390 120.670 -1.280 25437 5403 1 9 . 1 1 91 91 TRP HA H 91 4.578 4.578 4.266 0.312 25437 5404 1 9 . 1 1 91 91 TRP CA C 91 59.217 59.217 61.451 -2.234 25437 5405 1 9 . 1 1 91 91 TRP CB C 91 29.802 29.802 28.946 0.856 25437 5406 1 9 . 1 1 91 91 TRP H H 91 7.821 7.821 8.090 -0.269 25437 5407 1 9 . 1 1 92 92 ALA N N 92 121.275 121.275 121.446 -0.171 25437 5408 1 9 . 1 1 92 92 ALA HA H 92 4.124 4.124 3.914 0.210 25437 5409 1 9 . 1 1 92 92 ALA CA C 92 55.229 55.229 54.980 0.249 25437 5410 1 9 . 1 1 92 92 ALA CB C 92 18.870 18.870 18.219 0.651 25437 5411 1 9 . 1 1 92 92 ALA H H 92 8.242 8.242 7.566 0.676 25437 5412 1 9 . 1 1 93 93 VAL N N 93 120.454 120.454 118.301 2.153 25437 5413 1 9 . 1 1 93 93 VAL HA H 93 3.600 3.600 3.788 -0.188 25437 5414 1 9 . 1 1 93 93 VAL CA C 93 66.424 66.424 64.704 1.720 25437 5415 1 9 . 1 1 93 93 VAL CB C 93 30.676 30.676 31.534 -0.858 25437 5416 1 9 . 1 1 93 93 VAL H H 93 8.259 8.259 8.217 0.042 25437 5417 1 9 . 1 1 94 94 LYS N N 94 122.098 122.098 120.793 1.305 25437 5418 1 9 . 1 1 94 94 LYS HA H 94 3.690 3.690 3.906 -0.216 25437 5419 1 9 . 1 1 94 94 LYS CA C 94 60.959 60.959 59.280 1.679 25437 5420 1 9 . 1 1 94 94 LYS CB C 94 31.484 31.484 31.957 -0.474 25437 5421 1 9 . 1 1 94 94 LYS H H 94 8.382 8.382 8.451 -0.069 25437 5422 1 9 . 1 1 95 95 LYS N N 95 118.030 118.030 118.804 -0.774 25437 5423 1 9 . 1 1 95 95 LYS HA H 95 3.958 3.958 4.351 -0.393 25437 5424 1 9 . 1 1 95 95 LYS CA C 95 59.212 59.212 59.078 0.134 25437 5425 1 9 . 1 1 95 95 LYS CB C 95 31.219 31.219 32.096 -0.877 25437 5426 1 9 . 1 1 95 95 LYS H H 95 7.957 7.957 7.590 0.367 25437 5427 1 9 . 1 1 96 96 ALA N N 96 124.359 124.359 121.689 2.670 25437 5428 1 9 . 1 1 96 96 ALA HA H 96 4.229 4.229 4.150 0.079 25437 5429 1 9 . 1 1 96 96 ALA CA C 96 55.422 55.422 54.565 0.857 25437 5430 1 9 . 1 1 96 96 ALA CB C 96 17.148 17.148 18.218 -1.070 25437 5431 1 9 . 1 1 96 96 ALA H H 96 7.668 7.668 7.268 0.400 25437 5432 1 9 . 1 1 97 97 PHE N N 97 117.446 117.446 118.332 -0.886 25437 5433 1 9 . 1 1 97 97 PHE HA H 97 3.883 3.883 4.147 -0.264 25437 5434 1 9 . 1 1 97 97 PHE CA C 97 63.187 63.187 62.490 0.697 25437 5435 1 9 . 1 1 97 97 PHE CB C 97 40.401 40.401 39.441 0.960 25437 5436 1 9 . 1 1 97 97 PHE H H 97 8.369 8.369 7.918 0.451 25437 5437 1 9 . 1 1 98 98 GLU N N 98 119.148 119.148 118.004 1.144 25437 5438 1 9 . 1 1 98 98 GLU HA H 98 4.140 4.140 4.019 0.121 25437 5439 1 9 . 1 1 98 98 GLU CA C 98 59.610 59.610 58.830 0.781 25437 5440 1 9 . 1 1 98 98 GLU CB C 98 29.444 29.444 29.048 0.396 25437 5441 1 9 . 1 1 98 98 GLU H H 98 8.821 8.821 8.104 0.717 25437 5442 1 9 . 1 1 99 99 GLN N N 99 120.727 120.727 119.202 1.525 25437 5443 1 9 . 1 1 99 99 GLN HA H 99 4.061 4.061 4.141 -0.080 25437 5444 1 9 . 1 1 99 99 GLN CA C 99 59.130 59.130 58.101 1.029 25437 5445 1 9 . 1 1 99 99 GLN CB C 99 27.524 27.524 28.782 -1.258 25437 5446 1 9 . 1 1 99 99 GLN H H 99 8.436 8.436 8.123 0.313 25437 5447 1 9 . 1 1 100 100 ALA N N 100 122.603 122.603 122.578 0.025 25437 5448 1 9 . 1 1 100 100 ALA HA H 100 3.886 3.886 4.106 -0.220 25437 5449 1 9 . 1 1 100 100 ALA CA C 100 55.399 55.399 54.982 0.417 25437 5450 1 9 . 1 1 100 100 ALA CB C 100 19.472 19.472 18.176 1.296 25437 5451 1 9 . 1 1 100 100 ALA H H 100 8.433 8.433 8.208 0.225 25437 5452 1 9 . 1 1 101 101 GLY N N 101 104.253 104.253 105.415 -1.162 25437 5453 1 9 . 1 1 101 101 GLY CA C 101 47.843 47.843 46.618 1.224 25437 5454 1 9 . 1 1 101 101 GLY H H 101 9.035 9.035 7.955 1.080 25437 5455 1 9 . 1 1 102 102 LYS N N 102 121.912 121.912 121.606 0.306 25437 5456 1 9 . 1 1 102 102 LYS HA H 102 4.116 4.116 3.980 0.136 25437 5457 1 9 . 1 1 102 102 LYS CA C 102 59.314 59.314 59.569 -0.255 25437 5458 1 9 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.440 -0.261 25437 5459 1 9 . 1 1 102 102 LYS H H 102 7.928 7.928 7.447 0.480 25437 5460 1 9 . 1 1 103 103 GLU N N 103 119.382 119.382 118.420 0.962 25437 5461 1 9 . 1 1 103 103 GLU HA H 103 3.989 3.989 4.153 -0.164 25437 5462 1 9 . 1 1 103 103 GLU CA C 103 59.093 59.093 58.146 0.947 25437 5463 1 9 . 1 1 103 103 GLU CB C 103 30.127 30.127 29.504 0.623 25437 5464 1 9 . 1 1 103 103 GLU H H 103 8.406 8.406 7.626 0.780 25437 5465 1 9 . 1 1 104 104 LEU N N 104 115.551 115.551 119.055 -3.504 25437 5466 1 9 . 1 1 104 104 LEU HA H 104 4.360 4.360 4.089 0.271 25437 5467 1 9 . 1 1 104 104 LEU CA C 104 55.185 55.185 55.779 -0.594 25437 5468 1 9 . 1 1 104 104 LEU CB C 104 43.105 43.105 42.096 1.009 25437 5469 1 9 . 1 1 104 104 LEU H H 104 7.999 7.999 8.272 -0.273 25437 5470 1 9 . 1 1 105 105 GLY N N 105 110.561 110.561 104.593 5.968 25437 5471 1 9 . 1 1 105 105 GLY CA C 105 46.480 46.480 45.421 1.059 25437 5472 1 9 . 1 1 105 105 GLY H H 105 7.898 7.898 7.532 0.366 25437 5473 1 9 . 1 1 106 106 ILE N N 106 121.745 121.745 121.668 0.077 25437 5474 1 9 . 1 1 106 106 ILE HA H 106 4.227 4.227 4.041 0.186 25437 5475 1 9 . 1 1 106 106 ILE CA C 106 59.717 59.717 60.879 -1.162 25437 5476 1 9 . 1 1 106 106 ILE CB C 106 41.096 41.096 38.757 2.339 25437 5477 1 9 . 1 1 106 106 ILE H H 106 8.428 8.428 7.743 0.685 25437 5478 1 9 . 1 1 107 107 LYS N N 107 127.736 127.736 127.181 0.555 25437 5479 1 9 . 1 1 107 107 LYS HA H 107 4.275 4.275 4.162 0.113 25437 5480 1 9 . 1 1 107 107 LYS CA C 107 57.224 57.224 57.292 -0.068 25437 5481 1 9 . 1 1 107 107 LYS CB C 107 32.752 32.752 32.684 0.068 25437 5482 1 9 . 1 1 107 107 LYS H H 107 8.489 8.489 8.581 -0.092 25437 5483 1 9 . 1 1 108 108 LEU N N 108 122.881 122.881 124.343 -1.462 25437 5484 1 9 . 1 1 108 108 LEU HA H 108 5.235 5.235 4.401 0.834 25437 5485 1 9 . 1 1 108 108 LEU CA C 108 53.287 53.287 54.628 -1.341 25437 5486 1 9 . 1 1 108 108 LEU CB C 108 47.016 47.016 44.430 2.586 25437 5487 1 9 . 1 1 108 108 LEU H H 108 8.049 8.049 8.113 -0.064 25437 5488 1 9 . 1 1 109 109 ARG N N 109 120.726 120.726 124.326 -3.600 25437 5489 1 9 . 1 1 109 109 ARG HA H 109 4.438 4.438 4.140 0.298 25437 5490 1 9 . 1 1 109 109 ARG CA C 109 55.193 55.193 54.963 0.230 25437 5491 1 9 . 1 1 109 109 ARG CB C 109 33.519 33.519 34.773 -1.254 25437 5492 1 9 . 1 1 109 109 ARG H H 109 8.736 8.736 8.023 0.713 25437 5493 1 9 . 1 1 110 110 PHE N N 110 121.516 121.516 120.736 0.780 25437 5494 1 9 . 1 1 110 110 PHE HA H 110 5.303 5.303 5.033 0.270 25437 5495 1 9 . 1 1 110 110 PHE CA C 110 56.644 56.644 56.016 0.628 25437 5496 1 9 . 1 1 110 110 PHE CB C 110 40.602 40.602 40.568 0.034 25437 5497 1 9 . 1 1 110 110 PHE H H 110 8.707 8.707 8.236 0.471 25437 5498 1 9 . 1 1 111 111 GLY N N 111 108.992 108.992 110.145 -1.153 25437 5499 1 9 . 1 1 111 111 GLY CA C 111 45.604 45.604 45.063 0.541 25437 5500 1 9 . 1 1 111 111 GLY H H 111 7.819 7.819 9.093 -1.274 25437 5501 1 9 . 1 1 112 112 ALA N N 112 111.448 111.448 126.601 -15.153 25437 5502 1 9 . 1 1 112 112 ALA HA H 112 3.858 3.858 4.577 -0.719 25437 5503 1 9 . 1 1 112 112 ALA CA C 112 52.083 52.083 51.790 0.293 25437 5504 1 9 . 1 1 112 112 ALA CB C 112 18.655 18.655 19.497 -0.842 25437 5505 1 9 . 1 1 112 112 ALA H H 112 7.945 7.945 7.718 0.227 25437 5506 1 9 . 1 1 113 113 ASP N N 113 106.770 106.770 120.019 -13.249 25437 5507 1 9 . 1 1 113 113 ASP HA H 113 5.157 5.157 4.391 0.766 25437 5508 1 9 . 1 1 113 113 ASP CA C 113 52.285 52.285 56.727 -4.442 25437 5509 1 9 . 1 1 113 113 ASP CB C 113 41.465 41.465 40.744 0.721 25437 5510 1 9 . 1 1 113 113 ASP H H 113 7.000 7.000 8.671 -1.671 25437 5511 1 9 . 1 1 114 114 TRP N N 114 119.829 119.829 118.582 1.247 25437 5512 1 9 . 1 1 114 114 TRP HA H 114 4.184 4.184 4.421 -0.237 25437 5513 1 9 . 1 1 114 114 TRP CA C 114 61.455 61.455 60.495 0.960 25437 5514 1 9 . 1 1 114 114 TRP CB C 114 26.427 26.427 29.619 -3.192 25437 5515 1 9 . 1 1 114 114 TRP H H 114 7.589 7.589 8.023 -0.434 25437 5516 1 9 . 1 1 115 115 ASN N N 115 117.900 117.900 116.615 1.285 25437 5517 1 9 . 1 1 115 115 ASN HA H 115 4.548 4.548 4.482 0.066 25437 5518 1 9 . 1 1 115 115 ASN CA C 115 55.955 55.955 56.095 -0.140 25437 5519 1 9 . 1 1 115 115 ASN CB C 115 36.818 36.818 37.608 -0.790 25437 5520 1 9 . 1 1 115 115 ASN H H 115 9.503 9.503 8.326 1.177 25437 5521 1 9 . 1 1 116 116 ALA N N 116 123.758 123.758 121.225 2.533 25437 5522 1 9 . 1 1 116 116 ALA HA H 116 4.181 4.181 4.303 -0.122 25437 5523 1 9 . 1 1 116 116 ALA CA C 116 53.111 53.111 53.819 -0.708 25437 5524 1 9 . 1 1 116 116 ALA CB C 116 16.596 16.596 18.466 -1.870 25437 5525 1 9 . 1 1 116 116 ALA H H 116 8.079 8.079 7.624 0.455 25437 5526 1 9 . 1 1 117 117 SER N N 117 116.009 116.009 114.473 1.536 25437 5527 1 9 . 1 1 117 117 SER HA H 117 4.417 4.417 4.227 0.190 25437 5528 1 9 . 1 1 117 117 SER CA C 117 59.433 59.433 60.156 -0.723 25437 5529 1 9 . 1 1 117 117 SER CB C 117 65.026 65.026 63.538 1.488 25437 5530 1 9 . 1 1 117 117 SER H H 117 9.460 9.460 7.633 1.827 25437 5531 1 9 . 1 1 118 118 GLY N N 118 115.031 115.031 107.754 7.277 25437 5532 1 9 . 1 1 118 118 GLY CA C 118 45.197 45.197 44.865 0.332 25437 5533 1 9 . 1 1 118 118 GLY H H 118 10.733 10.733 7.530 3.203 25437 5534 1 9 . 1 1 119 119 ASP N N 119 116.435 116.435 121.308 -4.873 25437 5535 1 9 . 1 1 119 119 ASP HA H 119 4.590 4.590 4.897 -0.307 25437 5536 1 9 . 1 1 119 119 ASP CA C 119 53.181 53.181 53.306 -0.125 25437 5537 1 9 . 1 1 119 119 ASP CB C 119 43.864 43.864 43.781 0.083 25437 5538 1 9 . 1 1 119 119 ASP H H 119 7.770 7.770 7.994 -0.224 25437 5539 1 9 . 1 1 120 120 TYR N N 120 120.253 120.253 120.204 0.049 25437 5540 1 9 . 1 1 120 120 TYR HA H 120 6.088 6.088 4.632 1.456 25437 5541 1 9 . 1 1 120 120 TYR CA C 120 56.003 56.003 57.954 -1.951 25437 5542 1 9 . 1 1 120 120 TYR CB C 120 40.371 40.371 38.781 1.590 25437 5543 1 9 . 1 1 120 120 TYR H H 120 6.801 6.801 8.892 -2.091 25437 5544 1 9 . 1 1 121 121 HIS HA H 121 4.537 4.537 4.256 0.281 25437 5545 1 9 . 1 1 121 121 HIS CA C 121 59.002 59.002 57.813 1.189 25437 5546 1 9 . 1 1 121 121 HIS CB C 121 27.950 27.950 30.064 -2.114 25437 5547 1 9 . 1 1 122 122 ASP N N 122 111.622 111.622 118.695 -7.073 25437 5548 1 9 . 1 1 122 122 ASP HA H 122 4.815 4.815 4.543 0.272 25437 5549 1 9 . 1 1 122 122 ASP CA C 122 51.612 51.612 54.236 -2.624 25437 5550 1 9 . 1 1 122 122 ASP CB C 122 36.980 36.980 40.566 -3.586 25437 5551 1 9 . 1 1 122 122 ASP H H 122 8.154 8.154 8.208 -0.054 25437 5552 1 9 . 1 1 124 124 ILE N N 124 119.763 119.763 110.184 9.579 25437 5553 1 9 . 1 1 124 124 ILE HA H 124 3.843 3.843 3.979 -0.136 25437 5554 1 9 . 1 1 124 124 ILE CA C 124 64.714 64.714 62.569 2.144 25437 5555 1 9 . 1 1 124 124 ILE CB C 124 36.859 36.859 37.916 -1.057 25437 5556 1 9 . 1 1 124 124 ILE H H 124 7.639 7.639 7.973 -0.334 25437 5557 1 9 . 1 1 125 125 LYS N N 125 121.010 121.010 120.053 0.957 25437 5558 1 9 . 1 1 125 125 LYS HA H 125 4.109 4.109 3.982 0.127 25437 5559 1 9 . 1 1 125 125 LYS CA C 125 59.241 59.241 58.641 0.601 25437 5560 1 9 . 1 1 125 125 LYS CB C 125 31.985 31.985 31.852 0.133 25437 5561 1 9 . 1 1 125 125 LYS H H 125 7.739 7.739 8.367 -0.628 25437 5562 1 9 . 1 1 126 126 ARG N N 126 115.276 115.276 117.636 -2.360 25437 5563 1 9 . 1 1 126 126 ARG HA H 126 4.338 4.338 4.335 0.003 25437 5564 1 9 . 1 1 126 126 ARG CA C 126 57.189 57.189 55.941 1.248 25437 5565 1 9 . 1 1 126 126 ARG CB C 126 31.015 31.015 31.982 -0.967 25437 5566 1 9 . 1 1 126 126 ARG H H 126 7.904 7.904 7.612 0.292 25437 5567 1 9 . 1 1 127 127 GLY N N 127 107.767 107.767 109.453 -1.686 25437 5568 1 9 . 1 1 127 127 GLY CA C 127 45.822 45.822 45.805 0.017 25437 5569 1 9 . 1 1 127 127 GLY H H 127 7.912 7.912 8.321 -0.409 25437 5570 1 9 . 1 1 128 128 THR N N 128 107.570 107.570 113.080 -5.510 25437 5571 1 9 . 1 1 128 128 THR HA H 128 4.252 4.252 4.810 -0.558 25437 5572 1 9 . 1 1 128 128 THR CA C 128 60.620 60.620 59.172 1.448 25437 5573 1 9 . 1 1 128 128 THR CB C 128 69.224 69.224 70.950 -1.726 25437 5574 1 9 . 1 1 128 128 THR H H 128 8.121 8.121 7.412 0.709 25437 5575 1 9 . 1 1 129 129 TYR N N 129 123.143 123.143 120.144 2.999 25437 5576 1 9 . 1 1 129 129 TYR HA H 129 4.173 4.173 4.502 -0.329 25437 5577 1 9 . 1 1 129 129 TYR CA C 129 61.448 61.448 60.849 0.599 25437 5578 1 9 . 1 1 129 129 TYR CB C 129 38.796 38.796 39.018 -0.222 25437 5579 1 9 . 1 1 129 129 TYR H H 129 7.209 7.209 8.817 -1.608 25437 5580 1 9 . 1 1 130 130 ASP N N 130 117.930 117.930 116.549 1.381 25437 5581 1 9 . 1 1 130 130 ASP HA H 130 4.641 4.641 4.343 0.298 25437 5582 1 9 . 1 1 130 130 ASP CA C 130 53.440 53.440 54.921 -1.481 25437 5583 1 9 . 1 1 130 130 ASP CB C 130 43.221 43.221 38.962 4.259 25437 5584 1 9 . 1 1 130 130 ASP H H 130 8.216 8.216 8.920 -0.704 25437 5585 1 9 . 1 1 132 132 GLY N N 132 107.481 107.481 109.923 -2.442 25437 5586 1 9 . 1 1 132 132 GLY CA C 132 44.013 44.013 45.330 -1.317 25437 5587 1 9 . 1 1 132 132 GLY H H 132 8.304 8.304 7.103 1.201 25437 5588 1 9 . 1 1 133 133 HIS N N 133 117.609 117.609 119.360 -1.751 25437 5589 1 9 . 1 1 133 133 HIS HA H 133 5.430 5.430 4.560 0.870 25437 5590 1 9 . 1 1 133 133 HIS CA C 133 57.155 57.155 56.710 0.445 25437 5591 1 9 . 1 1 133 133 HIS CB C 133 31.667 31.667 30.073 1.594 25437 5592 1 9 . 1 1 133 133 HIS H H 133 6.942 6.942 7.764 -0.822 25437 5593 1 9 . 1 1 134 134 VAL N N 134 133.201 133.201 120.389 12.812 25437 5594 1 9 . 1 1 134 134 VAL HA H 134 4.254 4.254 4.694 -0.440 25437 5595 1 9 . 1 1 134 134 VAL CA C 134 61.676 61.676 59.922 1.754 25437 5596 1 9 . 1 1 134 134 VAL CB C 134 34.775 34.775 33.874 0.901 25437 5597 1 9 . 1 1 134 134 VAL H H 134 9.127 9.127 8.040 1.087 25437 5598 1 9 . 1 1 135 135 GLU N N 135 119.904 119.904 123.058 -3.154 25437 5599 1 9 . 1 1 135 135 GLU HA H 135 5.458 5.458 4.775 0.683 25437 5600 1 9 . 1 1 135 135 GLU CA C 135 52.126 52.126 53.928 -1.802 25437 5601 1 9 . 1 1 135 135 GLU CB C 135 34.550 34.550 33.994 0.556 25437 5602 1 9 . 1 1 135 135 GLU H H 135 8.501 8.501 8.020 0.481 25437 5603 1 9 . 1 1 136 136 LEU N N 136 119.357 119.357 123.091 -3.734 25437 5604 1 9 . 1 1 136 136 LEU HA H 136 4.432 4.432 4.322 0.110 25437 5605 1 9 . 1 1 136 136 LEU CA C 136 54.772 54.772 55.514 -0.742 25437 5606 1 9 . 1 1 136 136 LEU CB C 136 42.524 42.524 42.765 -0.241 25437 5607 1 9 . 1 1 136 136 LEU H H 136 8.280 8.280 8.486 -0.206 25437 5608 1 10 . 1 1 3 3 PHE N N 3 121.785 121.785 123.489 -1.704 25437 5609 1 10 . 1 1 3 3 PHE HA H 3 4.792 4.792 4.011 0.781 25437 5610 1 10 . 1 1 3 3 PHE CA C 3 56.407 56.407 59.542 -3.135 25437 5611 1 10 . 1 1 3 3 PHE CB C 3 40.111 40.111 39.276 0.835 25437 5612 1 10 . 1 1 3 3 PHE H H 3 8.534 8.534 8.393 0.141 25437 5613 1 10 . 1 1 4 4 LYS N N 4 119.409 119.409 123.487 -4.078 25437 5614 1 10 . 1 1 4 4 LYS HA H 4 4.452 4.452 4.112 0.340 25437 5615 1 10 . 1 1 4 4 LYS CA C 4 54.774 54.774 54.027 0.747 25437 5616 1 10 . 1 1 4 4 LYS CB C 4 35.710 35.710 34.810 0.899 25437 5617 1 10 . 1 1 4 4 LYS H H 4 8.367 8.367 7.336 1.031 25437 5618 1 10 . 1 1 5 5 PHE N N 5 124.495 124.495 119.972 4.523 25437 5619 1 10 . 1 1 5 5 PHE HA H 5 4.873 4.873 4.445 0.428 25437 5620 1 10 . 1 1 5 5 PHE CA C 5 58.636 58.636 57.315 1.321 25437 5621 1 10 . 1 1 5 5 PHE CB C 5 39.217 39.217 38.264 0.953 25437 5622 1 10 . 1 1 5 5 PHE H H 5 8.603 8.603 7.762 0.841 25437 5623 1 10 . 1 1 6 6 GLY N N 6 108.622 108.622 110.765 -2.143 25437 5624 1 10 . 1 1 6 6 GLY CA C 6 43.819 43.819 44.575 -0.756 25437 5625 1 10 . 1 1 6 6 GLY H H 6 8.559 8.559 8.324 0.235 25437 5626 1 10 . 1 1 7 7 LYS N N 7 119.341 119.341 119.151 0.190 25437 5627 1 10 . 1 1 7 7 LYS HA H 7 3.958 3.958 3.966 -0.008 25437 5628 1 10 . 1 1 7 7 LYS CA C 7 60.087 60.087 59.267 0.820 25437 5629 1 10 . 1 1 7 7 LYS CB C 7 32.399 32.399 32.397 0.002 25437 5630 1 10 . 1 1 7 7 LYS H H 7 8.692 8.692 8.667 0.025 25437 5631 1 10 . 1 1 8 8 ASN N N 8 118.555 118.555 117.836 0.719 25437 5632 1 10 . 1 1 8 8 ASN HA H 8 4.551 4.551 4.636 -0.085 25437 5633 1 10 . 1 1 8 8 ASN CA C 8 56.776 56.776 55.965 0.811 25437 5634 1 10 . 1 1 8 8 ASN CB C 8 36.961 36.961 38.035 -1.073 25437 5635 1 10 . 1 1 8 8 ASN H H 8 9.185 9.185 8.422 0.763 25437 5636 1 10 . 1 1 9 9 SER N N 9 118.632 118.632 116.595 2.037 25437 5637 1 10 . 1 1 9 9 SER HA H 9 4.283 4.283 4.100 0.183 25437 5638 1 10 . 1 1 9 9 SER CA C 9 62.790 62.790 62.262 0.528 25437 5639 1 10 . 1 1 9 9 SER CB C 9 62.790 62.790 62.833 -0.043 25437 5640 1 10 . 1 1 9 9 SER H H 9 8.076 8.076 8.174 -0.098 25437 5641 1 10 . 1 1 10 10 GLU N N 10 120.882 120.882 120.849 0.033 25437 5642 1 10 . 1 1 10 10 GLU HA H 10 3.977 3.977 4.031 -0.054 25437 5643 1 10 . 1 1 10 10 GLU CA C 10 59.409 59.409 59.563 -0.154 25437 5644 1 10 . 1 1 10 10 GLU CB C 10 28.556 28.556 29.828 -1.272 25437 5645 1 10 . 1 1 10 10 GLU H H 10 8.351 8.351 8.406 -0.055 25437 5646 1 10 . 1 1 11 11 LYS N N 11 120.030 120.030 118.591 1.439 25437 5647 1 10 . 1 1 11 11 LYS HA H 11 4.056 4.056 4.126 -0.070 25437 5648 1 10 . 1 1 11 11 LYS CA C 11 59.477 59.477 58.456 1.021 25437 5649 1 10 . 1 1 11 11 LYS CB C 11 32.032 32.032 31.823 0.209 25437 5650 1 10 . 1 1 11 11 LYS H H 11 7.937 7.937 7.443 0.494 25437 5651 1 10 . 1 1 12 12 GLN N N 12 114.749 114.749 119.207 -4.458 25437 5652 1 10 . 1 1 12 12 GLN HA H 12 4.147 4.147 4.115 0.032 25437 5653 1 10 . 1 1 12 12 GLN CA C 12 57.373 57.373 58.932 -1.559 25437 5654 1 10 . 1 1 12 12 GLN CB C 12 28.511 28.511 28.749 -0.238 25437 5655 1 10 . 1 1 12 12 GLN H H 12 7.562 7.562 8.073 -0.511 25437 5656 1 10 . 1 1 13 13 LEU N N 13 121.751 121.751 118.776 2.975 25437 5657 1 10 . 1 1 13 13 LEU HA H 13 3.880 3.880 4.249 -0.369 25437 5658 1 10 . 1 1 13 13 LEU CA C 13 57.080 57.080 56.222 0.858 25437 5659 1 10 . 1 1 13 13 LEU CB C 13 42.413 42.413 40.344 2.069 25437 5660 1 10 . 1 1 13 13 LEU H H 13 8.725 8.725 8.249 0.476 25437 5661 1 10 . 1 1 14 14 ALA N N 14 116.323 116.323 119.872 -3.549 25437 5662 1 10 . 1 1 14 14 ALA HA H 14 4.070 4.070 4.239 -0.169 25437 5663 1 10 . 1 1 14 14 ALA CA C 14 53.706 53.706 53.741 -0.035 25437 5664 1 10 . 1 1 14 14 ALA CB C 14 18.020 18.020 18.814 -0.794 25437 5665 1 10 . 1 1 14 14 ALA H H 14 7.574 7.574 7.433 0.141 25437 5666 1 10 . 1 1 15 15 THR N N 15 104.034 104.034 109.723 -5.689 25437 5667 1 10 . 1 1 15 15 THR HA H 15 4.431 4.431 4.430 0.001 25437 5668 1 10 . 1 1 15 15 THR CA C 15 62.381 62.381 61.144 1.237 25437 5669 1 10 . 1 1 15 15 THR CB C 15 70.327 70.327 69.900 0.427 25437 5670 1 10 . 1 1 15 15 THR H H 15 7.326 7.326 7.270 0.056 25437 5671 1 10 . 1 1 16 16 VAL N N 16 112.438 112.438 123.546 -11.108 25437 5672 1 10 . 1 1 16 16 VAL HA H 16 4.922 4.922 4.012 0.910 25437 5673 1 10 . 1 1 16 16 VAL CA C 16 59.661 59.661 62.239 -2.578 25437 5674 1 10 . 1 1 16 16 VAL CB C 16 32.989 32.989 33.022 -0.033 25437 5675 1 10 . 1 1 16 16 VAL H H 16 7.164 7.164 7.363 -0.199 25437 5676 1 10 . 1 1 17 17 LYS N N 17 120.729 120.729 129.629 -8.900 25437 5677 1 10 . 1 1 17 17 LYS HA H 17 4.230 4.230 4.319 -0.089 25437 5678 1 10 . 1 1 17 17 LYS CA C 17 55.486 55.486 57.922 -2.436 25437 5679 1 10 . 1 1 17 17 LYS CB C 17 32.079 32.079 31.436 0.643 25437 5680 1 10 . 1 1 17 17 LYS H H 17 8.907 8.907 8.646 0.261 25437 5681 1 10 . 1 1 18 18 PRO HA H 18 4.130 4.130 4.394 -0.264 25437 5682 1 10 . 1 1 18 18 PRO CA C 18 65.813 65.813 63.173 2.640 25437 5683 1 10 . 1 1 18 18 PRO CB C 18 31.864 31.864 31.861 0.003 25437 5684 1 10 . 1 1 19 19 GLU N N 19 117.608 117.608 117.749 -0.141 25437 5685 1 10 . 1 1 19 19 GLU HA H 19 4.011 4.011 4.425 -0.414 25437 5686 1 10 . 1 1 19 19 GLU CA C 19 61.031 61.031 56.573 4.458 25437 5687 1 10 . 1 1 19 19 GLU CB C 19 29.117 29.117 29.462 -0.345 25437 5688 1 10 . 1 1 19 19 GLU H H 19 9.714 9.714 8.704 1.010 25437 5689 1 10 . 1 1 20 20 LEU N N 20 117.938 117.938 118.740 -0.802 25437 5690 1 10 . 1 1 20 20 LEU HA H 20 4.258 4.258 3.971 0.287 25437 5691 1 10 . 1 1 20 20 LEU CA C 20 56.261 56.261 58.353 -2.092 25437 5692 1 10 . 1 1 20 20 LEU CB C 20 41.894 41.894 40.821 1.073 25437 5693 1 10 . 1 1 20 20 LEU H H 20 7.188 7.188 7.986 -0.798 25437 5694 1 10 . 1 1 21 21 GLN N N 21 118.367 118.367 118.335 0.032 25437 5695 1 10 . 1 1 21 21 GLN HA H 21 3.831 3.831 3.997 -0.166 25437 5696 1 10 . 1 1 21 21 GLN CA C 21 60.100 60.100 58.649 1.451 25437 5697 1 10 . 1 1 21 21 GLN CB C 21 27.745 27.745 27.533 0.212 25437 5698 1 10 . 1 1 21 21 GLN H H 21 7.805 7.805 8.412 -0.607 25437 5699 1 10 . 1 1 22 22 LYS N N 22 116.715 116.715 119.861 -3.146 25437 5700 1 10 . 1 1 22 22 LYS HA H 22 3.962 3.962 4.017 -0.055 25437 5701 1 10 . 1 1 22 22 LYS CA C 22 59.816 59.816 59.415 0.401 25437 5702 1 10 . 1 1 22 22 LYS CB C 22 32.520 32.520 31.862 0.658 25437 5703 1 10 . 1 1 22 22 LYS H H 22 8.143 8.143 8.272 -0.129 25437 5704 1 10 . 1 1 23 23 VAL N N 23 118.397 118.397 119.319 -0.922 25437 5705 1 10 . 1 1 23 23 VAL HA H 23 3.591 3.591 3.694 -0.103 25437 5706 1 10 . 1 1 23 23 VAL CA C 23 66.313 66.313 66.024 0.289 25437 5707 1 10 . 1 1 23 23 VAL CB C 23 31.529 31.529 30.924 0.605 25437 5708 1 10 . 1 1 23 23 VAL H H 23 7.715 7.715 7.658 0.057 25437 5709 1 10 . 1 1 24 24 ALA N N 24 121.929 121.929 122.169 -0.240 25437 5710 1 10 . 1 1 24 24 ALA HA H 24 4.024 4.024 3.719 0.305 25437 5711 1 10 . 1 1 24 24 ALA CA C 24 55.444 55.444 55.405 0.039 25437 5712 1 10 . 1 1 24 24 ALA CB C 24 18.086 18.086 18.403 -0.317 25437 5713 1 10 . 1 1 24 24 ALA H H 24 8.307 8.307 7.494 0.813 25437 5714 1 10 . 1 1 25 25 ARG N N 25 114.491 114.491 119.380 -4.889 25437 5715 1 10 . 1 1 25 25 ARG HA H 25 4.114 4.114 4.121 -0.007 25437 5716 1 10 . 1 1 25 25 ARG CA C 25 60.717 60.717 59.730 0.987 25437 5717 1 10 . 1 1 25 25 ARG CB C 25 29.257 29.257 30.376 -1.119 25437 5718 1 10 . 1 1 25 25 ARG H H 25 8.224 8.224 8.352 -0.128 25437 5719 1 10 . 1 1 26 26 ARG N N 26 119.944 119.944 119.115 0.829 25437 5720 1 10 . 1 1 26 26 ARG HA H 26 4.223 4.223 3.984 0.239 25437 5721 1 10 . 1 1 26 26 ARG CA C 26 57.097 57.097 59.139 -2.042 25437 5722 1 10 . 1 1 26 26 ARG CB C 26 28.888 28.888 30.048 -1.160 25437 5723 1 10 . 1 1 26 26 ARG H H 26 7.703 7.703 8.086 -0.383 25437 5724 1 10 . 1 1 27 27 ALA N N 27 122.041 122.041 122.569 -0.528 25437 5725 1 10 . 1 1 27 27 ALA HA H 27 3.611 3.611 3.887 -0.276 25437 5726 1 10 . 1 1 27 27 ALA CA C 27 55.249 55.249 54.872 0.377 25437 5727 1 10 . 1 1 27 27 ALA CB C 27 15.829 15.829 17.698 -1.869 25437 5728 1 10 . 1 1 27 27 ALA H H 27 8.754 8.754 8.219 0.535 25437 5729 1 10 . 1 1 28 28 LEU N N 28 117.421 117.421 118.377 -0.956 25437 5730 1 10 . 1 1 28 28 LEU HA H 28 4.053 4.053 4.183 -0.130 25437 5731 1 10 . 1 1 28 28 LEU CA C 28 57.757 57.757 58.218 -0.461 25437 5732 1 10 . 1 1 28 28 LEU CB C 28 40.351 40.351 42.060 -1.710 25437 5733 1 10 . 1 1 28 28 LEU H H 28 7.657 7.657 7.914 -0.257 25437 5734 1 10 . 1 1 29 29 GLU N N 29 114.911 114.911 117.568 -2.657 25437 5735 1 10 . 1 1 29 29 GLU HA H 29 4.023 4.023 4.116 -0.093 25437 5736 1 10 . 1 1 29 29 GLU CA C 29 58.489 58.489 58.020 0.468 25437 5737 1 10 . 1 1 29 29 GLU CB C 29 29.540 29.540 30.069 -0.529 25437 5738 1 10 . 1 1 29 29 GLU H H 29 7.039 7.039 7.386 -0.347 25437 5739 1 10 . 1 1 30 30 LEU N N 30 117.166 117.166 118.891 -1.725 25437 5740 1 10 . 1 1 30 30 LEU HA H 30 4.281 4.281 3.982 0.299 25437 5741 1 10 . 1 1 30 30 LEU CA C 30 55.266 55.266 56.646 -1.380 25437 5742 1 10 . 1 1 30 30 LEU CB C 30 44.403 44.403 42.333 2.070 25437 5743 1 10 . 1 1 30 30 LEU H H 30 7.353 7.353 8.142 -0.789 25437 5744 1 10 . 1 1 31 31 SER N N 31 116.260 116.260 113.976 2.284 25437 5745 1 10 . 1 1 31 31 SER HA H 31 4.557 4.557 4.204 0.353 25437 5746 1 10 . 1 1 31 31 SER CA C 31 55.723 55.723 57.010 -1.287 25437 5747 1 10 . 1 1 31 31 SER CB C 31 65.560 65.560 63.929 1.631 25437 5748 1 10 . 1 1 31 31 SER H H 31 7.742 7.742 7.818 -0.076 25437 5749 1 10 . 1 1 32 32 PRO HA H 32 4.609 4.609 4.213 0.396 25437 5750 1 10 . 1 1 32 32 PRO CA C 32 63.483 63.483 63.806 -0.323 25437 5751 1 10 . 1 1 32 32 PRO CB C 32 31.236 31.236 31.579 -0.343 25437 5752 1 10 . 1 1 33 33 TYR N N 33 114.714 114.714 117.765 -3.051 25437 5753 1 10 . 1 1 33 33 TYR HA H 33 4.710 4.710 4.666 0.044 25437 5754 1 10 . 1 1 33 33 TYR CA C 33 56.742 56.742 56.195 0.547 25437 5755 1 10 . 1 1 33 33 TYR CB C 33 41.506 41.506 39.188 2.317 25437 5756 1 10 . 1 1 33 33 TYR H H 33 7.727 7.727 7.087 0.640 25437 5757 1 10 . 1 1 34 34 ASP N N 34 125.197 125.197 118.418 6.779 25437 5758 1 10 . 1 1 34 34 ASP HA H 34 3.524 3.524 4.671 -1.147 25437 5759 1 10 . 1 1 34 34 ASP CA C 34 52.353 52.353 54.651 -2.298 25437 5760 1 10 . 1 1 34 34 ASP CB C 34 37.720 37.720 42.108 -4.388 25437 5761 1 10 . 1 1 34 34 ASP H H 34 8.630 8.630 8.596 0.034 25437 5762 1 10 . 1 1 35 35 PHE N N 35 115.803 115.803 113.142 2.661 25437 5763 1 10 . 1 1 35 35 PHE HA H 35 5.131 5.131 5.415 -0.284 25437 5764 1 10 . 1 1 35 35 PHE CA C 35 55.839 55.839 56.918 -1.079 25437 5765 1 10 . 1 1 35 35 PHE CB C 35 40.751 40.751 42.755 -2.004 25437 5766 1 10 . 1 1 35 35 PHE H H 35 7.250 7.250 8.070 -0.820 25437 5767 1 10 . 1 1 36 36 THR N N 36 113.338 113.338 117.731 -4.393 25437 5768 1 10 . 1 1 36 36 THR HA H 36 4.769 4.769 4.568 0.201 25437 5769 1 10 . 1 1 36 36 THR CA C 36 58.833 58.833 59.889 -1.056 25437 5770 1 10 . 1 1 36 36 THR CB C 36 71.387 71.387 69.670 1.717 25437 5771 1 10 . 1 1 36 36 THR H H 36 9.026 9.026 8.820 0.206 25437 5772 1 10 . 1 1 37 37 ILE N N 37 124.219 124.219 128.600 -4.381 25437 5773 1 10 . 1 1 37 37 ILE HA H 37 4.676 4.676 4.171 0.505 25437 5774 1 10 . 1 1 37 37 ILE CA C 37 58.395 58.395 62.620 -4.225 25437 5775 1 10 . 1 1 37 37 ILE CB C 37 34.649 34.649 37.430 -2.781 25437 5776 1 10 . 1 1 37 37 ILE H H 37 8.476 8.476 9.051 -0.575 25437 5777 1 10 . 1 1 38 38 VAL N N 38 124.271 124.271 125.209 -0.938 25437 5778 1 10 . 1 1 38 38 VAL HA H 38 3.981 3.981 4.255 -0.274 25437 5779 1 10 . 1 1 38 38 VAL CA C 38 63.144 63.144 62.954 0.190 25437 5780 1 10 . 1 1 38 38 VAL CB C 38 32.658 32.658 33.004 -0.346 25437 5781 1 10 . 1 1 38 38 VAL H H 38 8.640 8.640 8.494 0.146 25437 5782 1 10 . 1 1 39 39 GLN N N 39 115.210 115.210 116.378 -1.168 25437 5783 1 10 . 1 1 39 39 GLN HA H 39 4.378 4.378 5.105 -0.727 25437 5784 1 10 . 1 1 39 39 GLN CA C 39 56.197 56.197 55.117 1.080 25437 5785 1 10 . 1 1 39 39 GLN CB C 39 33.463 33.463 33.266 0.197 25437 5786 1 10 . 1 1 39 39 GLN H H 39 7.305 7.305 7.773 -0.468 25437 5787 1 10 . 1 1 40 40 GLY N N 40 116.022 116.022 109.466 6.556 25437 5788 1 10 . 1 1 40 40 GLY CA C 40 45.347 45.347 45.471 -0.124 25437 5789 1 10 . 1 1 40 40 GLY H H 40 8.851 8.851 9.459 -0.608 25437 5790 1 10 . 1 1 41 41 ILE N N 41 132.358 132.358 120.297 12.061 25437 5791 1 10 . 1 1 41 41 ILE HA H 41 4.715 4.715 4.512 0.203 25437 5792 1 10 . 1 1 41 41 ILE CA C 41 61.575 61.575 58.849 2.726 25437 5793 1 10 . 1 1 41 41 ILE CB C 41 38.774 38.774 41.684 -2.910 25437 5794 1 10 . 1 1 41 41 ILE H H 41 8.776 8.776 8.030 0.746 25437 5795 1 10 . 1 1 42 42 ARG N N 42 123.358 123.358 127.118 -3.760 25437 5796 1 10 . 1 1 42 42 ARG HA H 42 4.725 4.725 4.553 0.172 25437 5797 1 10 . 1 1 42 42 ARG CA C 42 54.576 54.576 55.713 -1.137 25437 5798 1 10 . 1 1 42 42 ARG CB C 42 33.425 33.425 30.930 2.495 25437 5799 1 10 . 1 1 42 42 ARG H H 42 7.154 7.154 8.645 -1.491 25437 5800 1 10 . 1 1 43 43 THR N N 43 115.494 115.494 117.485 -1.991 25437 5801 1 10 . 1 1 43 43 THR HA H 43 4.539 4.539 4.383 0.156 25437 5802 1 10 . 1 1 43 43 THR CA C 43 61.022 61.022 61.704 -0.682 25437 5803 1 10 . 1 1 43 43 THR CB C 43 70.577 70.577 69.701 0.876 25437 5804 1 10 . 1 1 43 43 THR H H 43 8.519 8.519 8.497 0.022 25437 5805 1 10 . 1 1 44 44 VAL N N 44 121.526 121.526 114.587 6.939 25437 5806 1 10 . 1 1 44 44 VAL HA H 44 3.956 3.956 4.108 -0.152 25437 5807 1 10 . 1 1 44 44 VAL CA C 44 63.977 63.977 64.211 -0.234 25437 5808 1 10 . 1 1 44 44 VAL CB C 44 32.313 32.313 31.383 0.930 25437 5809 1 10 . 1 1 44 44 VAL H H 44 8.516 8.516 8.251 0.265 25437 5810 1 10 . 1 1 45 45 ALA N N 45 125.457 125.457 121.851 3.606 25437 5811 1 10 . 1 1 45 45 ALA HA H 45 4.260 4.260 4.500 -0.240 25437 5812 1 10 . 1 1 45 45 ALA CA C 45 53.278 53.278 53.320 -0.042 25437 5813 1 10 . 1 1 45 45 ALA CB C 45 18.641 18.641 19.298 -0.657 25437 5814 1 10 . 1 1 45 45 ALA H H 45 8.311 8.311 7.914 0.397 25437 5815 1 10 . 1 1 46 46 GLN N N 46 118.271 118.271 119.902 -1.631 25437 5816 1 10 . 1 1 46 46 GLN HA H 46 4.232 4.232 4.055 0.177 25437 5817 1 10 . 1 1 46 46 GLN CA C 46 56.717 56.717 58.286 -1.569 25437 5818 1 10 . 1 1 46 46 GLN CB C 46 28.901 28.901 28.405 0.496 25437 5819 1 10 . 1 1 46 46 GLN H H 46 8.109 8.109 7.932 0.177 25437 5820 1 10 . 1 1 47 47 SER N N 47 116.127 116.127 114.295 1.832 25437 5821 1 10 . 1 1 47 47 SER HA H 47 4.361 4.361 4.194 0.167 25437 5822 1 10 . 1 1 47 47 SER CA C 47 59.082 59.082 59.871 -0.789 25437 5823 1 10 . 1 1 47 47 SER CB C 47 64.009 64.009 63.032 0.977 25437 5824 1 10 . 1 1 47 47 SER H H 47 8.199 8.199 8.003 0.196 25437 5825 1 10 . 1 1 48 48 ALA N N 48 124.628 124.628 121.465 3.163 25437 5826 1 10 . 1 1 48 48 ALA HA H 48 4.253 4.253 4.372 -0.119 25437 5827 1 10 . 1 1 48 48 ALA CA C 48 53.325 53.325 53.682 -0.357 25437 5828 1 10 . 1 1 48 48 ALA CB C 48 18.552 18.552 19.120 -0.568 25437 5829 1 10 . 1 1 48 48 ALA H H 48 8.315 8.315 8.102 0.213 25437 5830 1 10 . 1 1 49 49 GLN N N 49 119.160 119.160 117.664 1.496 25437 5831 1 10 . 1 1 49 49 GLN HA H 49 4.232 4.232 4.291 -0.059 25437 5832 1 10 . 1 1 49 49 GLN CA C 49 56.850 56.850 56.254 0.596 25437 5833 1 10 . 1 1 49 49 GLN CB C 49 28.992 28.992 28.778 0.214 25437 5834 1 10 . 1 1 49 49 GLN H H 49 8.153 8.153 7.899 0.254 25437 5835 1 10 . 1 1 50 50 ASN N N 50 119.112 119.112 119.695 -0.583 25437 5836 1 10 . 1 1 50 50 ASN HA H 50 4.660 4.660 4.447 0.213 25437 5837 1 10 . 1 1 50 50 ASN CA C 50 53.572 53.572 56.347 -2.775 25437 5838 1 10 . 1 1 50 50 ASN CB C 50 38.376 38.376 38.544 -0.168 25437 5839 1 10 . 1 1 50 50 ASN H H 50 8.205 8.205 8.195 0.010 25437 5840 1 10 . 1 1 51 51 ILE N N 51 120.639 120.639 116.453 4.186 25437 5841 1 10 . 1 1 51 51 ILE HA H 51 4.095 4.095 4.225 -0.130 25437 5842 1 10 . 1 1 51 51 ILE CA C 51 61.954 61.954 60.465 1.489 25437 5843 1 10 . 1 1 51 51 ILE CB C 51 38.414 38.414 35.855 2.559 25437 5844 1 10 . 1 1 51 51 ILE H H 51 7.939 7.939 7.451 0.488 25437 5845 1 10 . 1 1 52 52 ALA N N 52 126.459 126.459 124.605 1.854 25437 5846 1 10 . 1 1 52 52 ALA HA H 52 4.246 4.246 3.984 0.262 25437 5847 1 10 . 1 1 52 52 ALA CA C 52 53.189 53.189 54.767 -1.578 25437 5848 1 10 . 1 1 52 52 ALA CB C 52 18.453 18.453 18.249 0.204 25437 5849 1 10 . 1 1 52 52 ALA H H 52 8.251 8.251 8.258 -0.007 25437 5850 1 10 . 1 1 53 53 ASN N N 53 116.801 116.801 116.386 0.415 25437 5851 1 10 . 1 1 53 53 ASN HA H 53 4.648 4.648 4.519 0.129 25437 5852 1 10 . 1 1 53 53 ASN CA C 53 53.425 53.425 54.370 -0.945 25437 5853 1 10 . 1 1 53 53 ASN CB C 53 38.600 38.600 38.798 -0.198 25437 5854 1 10 . 1 1 53 53 ASN H H 53 8.230 8.230 7.934 0.296 25437 5855 1 10 . 1 1 54 54 GLY N N 54 108.549 108.549 107.393 1.156 25437 5856 1 10 . 1 1 54 54 GLY CA C 54 45.746 45.746 44.990 0.756 25437 5857 1 10 . 1 1 54 54 GLY H H 54 8.191 8.191 7.793 0.398 25437 5858 1 10 . 1 1 55 55 THR N N 55 112.528 112.528 114.729 -2.201 25437 5859 1 10 . 1 1 55 55 THR HA H 55 4.282 4.282 4.504 -0.222 25437 5860 1 10 . 1 1 55 55 THR CA C 55 62.118 62.118 61.692 0.426 25437 5861 1 10 . 1 1 55 55 THR CB C 55 69.796 69.796 69.638 0.158 25437 5862 1 10 . 1 1 55 55 THR H H 55 8.003 8.003 7.648 0.355 25437 5863 1 10 . 1 1 56 56 SER N N 56 116.986 116.986 120.734 -3.748 25437 5864 1 10 . 1 1 56 56 SER HA H 56 4.362 4.362 4.273 0.089 25437 5865 1 10 . 1 1 56 56 SER CA C 56 58.454 58.454 59.341 -0.887 25437 5866 1 10 . 1 1 56 56 SER CB C 56 63.762 63.762 63.025 0.737 25437 5867 1 10 . 1 1 56 56 SER H H 56 8.043 8.043 8.360 -0.317 25437 5868 1 10 . 1 1 57 57 PHE N N 57 121.981 121.981 121.459 0.522 25437 5869 1 10 . 1 1 57 57 PHE HA H 57 4.579 4.579 4.255 0.324 25437 5870 1 10 . 1 1 57 57 PHE CA C 57 57.929 57.929 60.656 -2.727 25437 5871 1 10 . 1 1 57 57 PHE CB C 57 39.068 39.068 38.997 0.071 25437 5872 1 10 . 1 1 57 57 PHE H H 57 8.120 8.120 7.923 0.197 25437 5873 1 10 . 1 1 58 58 LEU N N 58 121.621 121.621 118.369 3.252 25437 5874 1 10 . 1 1 58 58 LEU HA H 58 4.174 4.174 4.503 -0.329 25437 5875 1 10 . 1 1 58 58 LEU CA C 58 55.350 55.350 54.187 1.163 25437 5876 1 10 . 1 1 58 58 LEU CB C 58 42.340 42.340 40.984 1.356 25437 5877 1 10 . 1 1 58 58 LEU H H 58 7.806 7.806 7.665 0.141 25437 5878 1 10 . 1 1 59 59 LYS N N 59 120.388 120.388 122.571 -2.183 25437 5879 1 10 . 1 1 59 59 LYS HA H 59 4.230 4.230 4.135 0.095 25437 5880 1 10 . 1 1 59 59 LYS CA C 59 55.823 55.823 57.365 -1.542 25437 5881 1 10 . 1 1 59 59 LYS CB C 59 32.616 32.616 31.753 0.863 25437 5882 1 10 . 1 1 59 59 LYS H H 59 8.068 8.068 7.710 0.358 25437 5883 1 10 . 1 1 60 60 ASP N N 60 121.094 121.094 124.988 -3.894 25437 5884 1 10 . 1 1 60 60 ASP HA H 60 4.828 4.828 4.887 -0.059 25437 5885 1 10 . 1 1 60 60 ASP CA C 60 53.698 53.698 52.862 0.836 25437 5886 1 10 . 1 1 60 60 ASP CB C 60 41.652 41.652 41.896 -0.244 25437 5887 1 10 . 1 1 60 60 ASP H H 60 7.959 7.959 8.135 -0.176 25437 5888 1 10 . 1 1 61 61 PRO HA H 61 4.388 4.388 4.584 -0.196 25437 5889 1 10 . 1 1 61 61 PRO CA C 61 63.263 63.263 63.037 0.226 25437 5890 1 10 . 1 1 61 61 PRO CB C 61 31.697 31.697 30.559 1.138 25437 5891 1 10 . 1 1 62 62 SER N N 62 115.353 115.353 116.376 -1.023 25437 5892 1 10 . 1 1 62 62 SER HA H 62 4.365 4.365 4.545 -0.180 25437 5893 1 10 . 1 1 62 62 SER CA C 62 59.258 59.258 57.470 1.788 25437 5894 1 10 . 1 1 62 62 SER CB C 62 63.634 63.634 64.170 -0.536 25437 5895 1 10 . 1 1 62 62 SER H H 62 8.420 8.420 8.217 0.203 25437 5896 1 10 . 1 1 63 63 LYS N N 63 122.360 122.360 121.655 0.705 25437 5897 1 10 . 1 1 63 63 LYS HA H 63 4.266 4.266 4.168 0.098 25437 5898 1 10 . 1 1 63 63 LYS CA C 63 56.628 56.628 57.981 -1.353 25437 5899 1 10 . 1 1 63 63 LYS CB C 63 29.327 29.327 32.672 -3.345 25437 5900 1 10 . 1 1 63 63 LYS H H 63 8.405 8.405 8.275 0.130 25437 5901 1 10 . 1 1 65 65 LYS N N 65 125.418 125.418 120.020 5.398 25437 5902 1 10 . 1 1 65 65 LYS HA H 65 4.146 4.146 4.570 -0.424 25437 5903 1 10 . 1 1 65 65 LYS CA C 65 63.350 63.350 56.008 7.342 25437 5904 1 10 . 1 1 65 65 LYS CB C 65 31.891 31.891 33.102 -1.211 25437 5905 1 10 . 1 1 65 65 LYS H H 65 8.369 8.369 9.025 -0.656 25437 5906 1 10 . 1 1 66 66 HIS N N 66 121.236 121.236 119.760 1.476 25437 5907 1 10 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.386 0.159 25437 5908 1 10 . 1 1 66 66 HIS CA C 66 59.256 59.256 59.294 -0.038 25437 5909 1 10 . 1 1 66 66 HIS CB C 66 28.619 28.619 29.597 -0.978 25437 5910 1 10 . 1 1 66 66 HIS H H 66 8.758 8.758 8.579 0.179 25437 5911 1 10 . 1 1 67 67 ILE N N 67 120.137 120.137 119.420 0.717 25437 5912 1 10 . 1 1 67 67 ILE HA H 67 4.372 4.372 4.005 0.367 25437 5913 1 10 . 1 1 67 67 ILE CA C 67 63.961 63.961 63.633 0.328 25437 5914 1 10 . 1 1 67 67 ILE CB C 67 37.935 37.935 36.581 1.354 25437 5915 1 10 . 1 1 67 67 ILE H H 67 7.849 7.849 8.409 -0.560 25437 5916 1 10 . 1 1 68 68 THR N N 68 104.067 104.067 110.621 -6.554 25437 5917 1 10 . 1 1 68 68 THR HA H 68 4.397 4.397 4.422 -0.025 25437 5918 1 10 . 1 1 68 68 THR CA C 68 61.343 61.343 61.794 -0.451 25437 5919 1 10 . 1 1 68 68 THR CB C 68 68.473 68.473 68.966 -0.493 25437 5920 1 10 . 1 1 68 68 THR H H 68 7.168 7.168 7.796 -0.628 25437 5921 1 10 . 1 1 69 69 GLY N N 69 107.308 107.308 111.346 -4.038 25437 5922 1 10 . 1 1 69 69 GLY CA C 69 46.665 46.665 46.039 0.626 25437 5923 1 10 . 1 1 69 69 GLY H H 69 7.169 7.169 7.915 -0.746 25437 5924 1 10 . 1 1 70 70 ASP N N 70 114.629 114.629 117.904 -3.275 25437 5925 1 10 . 1 1 70 70 ASP HA H 70 4.734 4.734 4.615 0.119 25437 5926 1 10 . 1 1 70 70 ASP CA C 70 54.627 54.627 53.359 1.268 25437 5927 1 10 . 1 1 70 70 ASP CB C 70 44.451 44.451 41.217 3.234 25437 5928 1 10 . 1 1 70 70 ASP H H 70 7.644 7.644 7.779 -0.135 25437 5929 1 10 . 1 1 71 71 ALA N N 71 118.917 118.917 119.191 -0.274 25437 5930 1 10 . 1 1 71 71 ALA HA H 71 5.062 5.062 5.045 0.017 25437 5931 1 10 . 1 1 71 71 ALA CA C 71 51.498 51.498 51.322 0.176 25437 5932 1 10 . 1 1 71 71 ALA CB C 71 21.994 21.994 21.861 0.133 25437 5933 1 10 . 1 1 71 71 ALA H H 71 7.529 7.529 7.314 0.215 25437 5934 1 10 . 1 1 72 72 ILE N N 72 110.818 110.818 113.976 -3.158 25437 5935 1 10 . 1 1 72 72 ILE HA H 72 5.249 5.249 4.466 0.783 25437 5936 1 10 . 1 1 72 72 ILE CA C 72 58.821 58.821 60.418 -1.597 25437 5937 1 10 . 1 1 72 72 ILE CB C 72 43.709 43.709 42.127 1.582 25437 5938 1 10 . 1 1 72 72 ILE H H 72 8.449 8.449 8.614 -0.165 25437 5939 1 10 . 1 1 73 73 ASP N N 73 117.790 117.790 121.445 -3.655 25437 5940 1 10 . 1 1 73 73 ASP HA H 73 6.094 6.094 5.707 0.387 25437 5941 1 10 . 1 1 73 73 ASP CA C 73 52.090 52.090 53.175 -1.085 25437 5942 1 10 . 1 1 73 73 ASP CB C 73 42.655 42.655 45.399 -2.744 25437 5943 1 10 . 1 1 73 73 ASP H H 73 8.442 8.442 8.810 -0.368 25437 5944 1 10 . 1 1 74 74 PHE N N 74 122.479 122.479 120.307 2.172 25437 5945 1 10 . 1 1 74 74 PHE HA H 74 6.173 6.173 5.443 0.730 25437 5946 1 10 . 1 1 74 74 PHE CA C 74 54.775 54.775 56.251 -1.476 25437 5947 1 10 . 1 1 74 74 PHE CB C 74 44.115 44.115 42.486 1.629 25437 5948 1 10 . 1 1 74 74 PHE H H 74 9.463 9.463 8.604 0.859 25437 5949 1 10 . 1 1 75 75 ALA N N 75 118.862 118.862 121.668 -2.806 25437 5950 1 10 . 1 1 75 75 ALA HA H 75 4.453 4.453 4.468 -0.015 25437 5951 1 10 . 1 1 75 75 ALA CA C 75 50.134 50.134 48.878 1.256 25437 5952 1 10 . 1 1 75 75 ALA CB C 75 21.020 21.020 21.383 -0.363 25437 5953 1 10 . 1 1 75 75 ALA H H 75 8.575 8.575 8.904 -0.329 25437 5954 1 10 . 1 1 76 76 PRO HA H 76 4.466 4.466 4.565 -0.099 25437 5955 1 10 . 1 1 76 76 PRO CA C 76 62.353 62.353 62.767 -0.414 25437 5956 1 10 . 1 1 76 76 PRO CB C 76 32.135 32.135 30.853 1.282 25437 5957 1 10 . 1 1 77 77 TYR N N 77 126.211 126.211 126.066 0.145 25437 5958 1 10 . 1 1 77 77 TYR HA H 77 4.835 4.835 4.630 0.205 25437 5959 1 10 . 1 1 77 77 TYR CA C 77 56.830 56.830 58.777 -1.947 25437 5960 1 10 . 1 1 77 77 TYR CB C 77 40.384 40.384 40.535 -0.151 25437 5961 1 10 . 1 1 77 77 TYR H H 77 8.357 8.357 8.482 -0.125 25437 5962 1 10 . 1 1 78 78 ILE N N 78 124.613 124.613 125.503 -0.890 25437 5963 1 10 . 1 1 78 78 ILE HA H 78 4.210 4.210 4.279 -0.069 25437 5964 1 10 . 1 1 78 78 ILE CA C 78 59.941 59.941 60.520 -0.579 25437 5965 1 10 . 1 1 78 78 ILE CB C 78 40.652 40.652 41.661 -1.009 25437 5966 1 10 . 1 1 78 78 ILE H H 78 8.334 8.334 9.017 -0.683 25437 5967 1 10 . 1 1 79 79 ASN N N 79 126.361 126.361 124.833 1.528 25437 5968 1 10 . 1 1 79 79 ASN HA H 79 4.339 4.339 4.427 -0.088 25437 5969 1 10 . 1 1 79 79 ASN CA C 79 53.937 53.937 53.711 0.226 25437 5970 1 10 . 1 1 79 79 ASN CB C 79 36.887 36.887 37.938 -1.052 25437 5971 1 10 . 1 1 79 79 ASN H H 79 9.444 9.444 9.206 0.238 25437 5972 1 10 . 1 1 80 80 GLY N N 80 102.068 102.068 102.252 -0.184 25437 5973 1 10 . 1 1 80 80 GLY CA C 80 45.663 45.663 45.902 -0.239 25437 5974 1 10 . 1 1 80 80 GLY H H 80 8.240 8.240 8.842 -0.602 25437 5975 1 10 . 1 1 81 81 LYS N N 81 117.260 117.260 117.415 -0.155 25437 5976 1 10 . 1 1 81 81 LYS HA H 81 4.534 4.534 4.348 0.186 25437 5977 1 10 . 1 1 81 81 LYS CA C 81 54.226 54.226 54.209 0.017 25437 5978 1 10 . 1 1 81 81 LYS CB C 81 35.655 35.655 36.205 -0.550 25437 5979 1 10 . 1 1 81 81 LYS H H 81 7.046 7.046 7.443 -0.397 25437 5980 1 10 . 1 1 82 82 ILE N N 82 122.347 122.347 120.091 2.256 25437 5981 1 10 . 1 1 82 82 ILE HA H 82 4.091 4.091 3.336 0.755 25437 5982 1 10 . 1 1 82 82 ILE CA C 82 62.621 62.621 62.084 0.537 25437 5983 1 10 . 1 1 82 82 ILE CB C 82 37.833 37.833 37.952 -0.119 25437 5984 1 10 . 1 1 82 82 ILE H H 82 8.418 8.418 8.126 0.292 25437 5985 1 10 . 1 1 83 83 ASP N N 83 128.498 128.498 127.510 0.988 25437 5986 1 10 . 1 1 83 83 ASP HA H 83 4.808 4.808 4.772 0.036 25437 5987 1 10 . 1 1 83 83 ASP CA C 83 51.619 51.619 53.137 -1.518 25437 5988 1 10 . 1 1 83 83 ASP CB C 83 41.079 41.079 40.094 0.985 25437 5989 1 10 . 1 1 83 83 ASP H H 83 8.028 8.028 8.140 -0.112 25437 5990 1 10 . 1 1 84 84 TRP N N 84 121.807 121.807 122.135 -0.328 25437 5991 1 10 . 1 1 84 84 TRP HA H 84 4.574 4.574 4.664 -0.090 25437 5992 1 10 . 1 1 84 84 TRP CA C 84 58.456 58.456 58.408 0.048 25437 5993 1 10 . 1 1 84 84 TRP CB C 84 30.177 30.177 30.137 0.040 25437 5994 1 10 . 1 1 84 84 TRP H H 84 8.081 8.081 7.942 0.139 25437 5995 1 10 . 1 1 85 85 ASN N N 85 113.227 113.227 115.488 -2.261 25437 5996 1 10 . 1 1 85 85 ASN HA H 85 4.975 4.975 4.902 0.073 25437 5997 1 10 . 1 1 85 85 ASN CA C 85 53.430 53.430 53.090 0.340 25437 5998 1 10 . 1 1 85 85 ASN CB C 85 40.162 40.162 39.486 0.676 25437 5999 1 10 . 1 1 85 85 ASN H H 85 8.386 8.386 8.330 0.056 25437 6000 1 10 . 1 1 86 86 ASP N N 86 118.821 118.821 120.958 -2.137 25437 6001 1 10 . 1 1 86 86 ASP HA H 86 4.813 4.813 4.884 -0.071 25437 6002 1 10 . 1 1 86 86 ASP CA C 86 52.255 52.255 53.045 -0.790 25437 6003 1 10 . 1 1 86 86 ASP CB C 86 37.613 37.613 40.386 -2.772 25437 6004 1 10 . 1 1 86 86 ASP H H 86 7.405 7.405 7.855 -0.450 25437 6005 1 10 . 1 1 87 87 LEU N N 87 127.177 127.177 120.269 6.908 25437 6006 1 10 . 1 1 87 87 LEU HA H 87 4.055 4.055 4.298 -0.243 25437 6007 1 10 . 1 1 87 87 LEU CA C 87 58.321 58.321 57.022 1.299 25437 6008 1 10 . 1 1 87 87 LEU CB C 87 40.887 40.887 41.991 -1.104 25437 6009 1 10 . 1 1 87 87 LEU H H 87 8.274 8.274 8.118 0.156 25437 6010 1 10 . 1 1 88 88 GLU N N 88 114.132 114.132 120.961 -6.829 25437 6011 1 10 . 1 1 88 88 GLU HA H 88 3.938 3.938 4.036 -0.098 25437 6012 1 10 . 1 1 88 88 GLU CA C 88 59.437 59.437 59.234 0.203 25437 6013 1 10 . 1 1 88 88 GLU CB C 88 27.987 27.987 29.226 -1.238 25437 6014 1 10 . 1 1 88 88 GLU H H 88 8.257 8.257 7.927 0.330 25437 6015 1 10 . 1 1 89 89 ALA N N 89 122.075 122.075 121.538 0.537 25437 6016 1 10 . 1 1 89 89 ALA HA H 89 3.799 3.799 4.343 -0.544 25437 6017 1 10 . 1 1 89 89 ALA CA C 89 54.703 54.703 54.725 -0.022 25437 6018 1 10 . 1 1 89 89 ALA CB C 89 17.635 17.635 18.042 -0.407 25437 6019 1 10 . 1 1 89 89 ALA H H 89 7.418 7.418 8.088 -0.670 25437 6020 1 10 . 1 1 90 90 PHE N N 90 116.551 116.551 118.624 -2.073 25437 6021 1 10 . 1 1 90 90 PHE HA H 90 4.025 4.025 4.375 -0.350 25437 6022 1 10 . 1 1 90 90 PHE CA C 90 64.150 64.150 61.234 2.916 25437 6023 1 10 . 1 1 90 90 PHE CB C 90 38.965 38.965 39.163 -0.198 25437 6024 1 10 . 1 1 90 90 PHE H H 90 7.777 7.777 7.683 0.094 25437 6025 1 10 . 1 1 91 91 TRP N N 91 119.390 119.390 120.626 -1.236 25437 6026 1 10 . 1 1 91 91 TRP HA H 91 4.578 4.578 4.406 0.172 25437 6027 1 10 . 1 1 91 91 TRP CA C 91 59.217 59.217 60.055 -0.838 25437 6028 1 10 . 1 1 91 91 TRP CB C 91 29.802 29.802 28.843 0.959 25437 6029 1 10 . 1 1 91 91 TRP H H 91 7.821 7.821 8.433 -0.612 25437 6030 1 10 . 1 1 92 92 ALA N N 92 121.275 121.275 121.621 -0.346 25437 6031 1 10 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.002 0.122 25437 6032 1 10 . 1 1 92 92 ALA CA C 92 55.229 55.229 54.766 0.463 25437 6033 1 10 . 1 1 92 92 ALA CB C 92 18.870 18.870 18.343 0.527 25437 6034 1 10 . 1 1 92 92 ALA H H 92 8.242 8.242 7.555 0.687 25437 6035 1 10 . 1 1 93 93 VAL N N 93 120.454 120.454 119.073 1.381 25437 6036 1 10 . 1 1 93 93 VAL HA H 93 3.600 3.600 3.755 -0.155 25437 6037 1 10 . 1 1 93 93 VAL CA C 93 66.424 66.424 64.967 1.457 25437 6038 1 10 . 1 1 93 93 VAL CB C 93 30.676 30.676 31.408 -0.732 25437 6039 1 10 . 1 1 93 93 VAL H H 93 8.259 8.259 7.944 0.315 25437 6040 1 10 . 1 1 94 94 LYS N N 94 122.098 122.098 120.206 1.892 25437 6041 1 10 . 1 1 94 94 LYS HA H 94 3.690 3.690 4.082 -0.392 25437 6042 1 10 . 1 1 94 94 LYS CA C 94 60.959 60.959 60.159 0.800 25437 6043 1 10 . 1 1 94 94 LYS CB C 94 31.484 31.484 32.182 -0.698 25437 6044 1 10 . 1 1 94 94 LYS H H 94 8.382 8.382 8.504 -0.122 25437 6045 1 10 . 1 1 95 95 LYS N N 95 118.030 118.030 119.326 -1.296 25437 6046 1 10 . 1 1 95 95 LYS HA H 95 3.958 3.958 4.555 -0.597 25437 6047 1 10 . 1 1 95 95 LYS CA C 95 59.212 59.212 59.110 0.102 25437 6048 1 10 . 1 1 95 95 LYS CB C 95 31.219 31.219 32.184 -0.965 25437 6049 1 10 . 1 1 95 95 LYS H H 95 7.957 7.957 7.599 0.358 25437 6050 1 10 . 1 1 96 96 ALA N N 96 124.359 124.359 122.049 2.310 25437 6051 1 10 . 1 1 96 96 ALA HA H 96 4.229 4.229 4.105 0.124 25437 6052 1 10 . 1 1 96 96 ALA CA C 96 55.422 55.422 54.840 0.583 25437 6053 1 10 . 1 1 96 96 ALA CB C 96 17.148 17.148 17.946 -0.798 25437 6054 1 10 . 1 1 96 96 ALA H H 96 7.668 7.668 7.536 0.132 25437 6055 1 10 . 1 1 97 97 PHE N N 97 117.446 117.446 118.949 -1.503 25437 6056 1 10 . 1 1 97 97 PHE HA H 97 3.883 3.883 4.141 -0.258 25437 6057 1 10 . 1 1 97 97 PHE CA C 97 63.187 63.187 62.519 0.668 25437 6058 1 10 . 1 1 97 97 PHE CB C 97 40.401 40.401 39.462 0.939 25437 6059 1 10 . 1 1 97 97 PHE H H 97 8.369 8.369 7.875 0.494 25437 6060 1 10 . 1 1 98 98 GLU N N 98 119.148 119.148 118.056 1.092 25437 6061 1 10 . 1 1 98 98 GLU HA H 98 4.140 4.140 3.910 0.230 25437 6062 1 10 . 1 1 98 98 GLU CA C 98 59.610 59.610 58.888 0.722 25437 6063 1 10 . 1 1 98 98 GLU CB C 98 29.444 29.444 28.953 0.491 25437 6064 1 10 . 1 1 98 98 GLU H H 98 8.821 8.821 8.097 0.724 25437 6065 1 10 . 1 1 99 99 GLN N N 99 120.727 120.727 118.686 2.041 25437 6066 1 10 . 1 1 99 99 GLN HA H 99 4.061 4.061 4.159 -0.098 25437 6067 1 10 . 1 1 99 99 GLN CA C 99 59.130 59.130 58.033 1.097 25437 6068 1 10 . 1 1 99 99 GLN CB C 99 27.524 27.524 28.998 -1.474 25437 6069 1 10 . 1 1 99 99 GLN H H 99 8.436 8.436 8.000 0.436 25437 6070 1 10 . 1 1 100 100 ALA N N 100 122.603 122.603 122.192 0.411 25437 6071 1 10 . 1 1 100 100 ALA HA H 100 3.886 3.886 4.017 -0.131 25437 6072 1 10 . 1 1 100 100 ALA CA C 100 55.399 55.399 54.868 0.531 25437 6073 1 10 . 1 1 100 100 ALA CB C 100 19.472 19.472 18.181 1.291 25437 6074 1 10 . 1 1 100 100 ALA H H 100 8.433 8.433 8.224 0.209 25437 6075 1 10 . 1 1 101 101 GLY N N 101 104.253 104.253 104.567 -0.314 25437 6076 1 10 . 1 1 101 101 GLY CA C 101 47.843 47.843 46.455 1.388 25437 6077 1 10 . 1 1 101 101 GLY H H 101 9.035 9.035 8.098 0.937 25437 6078 1 10 . 1 1 102 102 LYS N N 102 121.912 121.912 121.688 0.224 25437 6079 1 10 . 1 1 102 102 LYS HA H 102 4.116 4.116 4.036 0.080 25437 6080 1 10 . 1 1 102 102 LYS CA C 102 59.314 59.314 59.206 0.108 25437 6081 1 10 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.173 0.006 25437 6082 1 10 . 1 1 102 102 LYS H H 102 7.928 7.928 7.814 0.114 25437 6083 1 10 . 1 1 103 103 GLU N N 103 119.382 119.382 118.365 1.017 25437 6084 1 10 . 1 1 103 103 GLU HA H 103 3.989 3.989 4.164 -0.175 25437 6085 1 10 . 1 1 103 103 GLU CA C 103 59.093 59.093 58.213 0.880 25437 6086 1 10 . 1 1 103 103 GLU CB C 103 30.127 30.127 29.345 0.782 25437 6087 1 10 . 1 1 103 103 GLU H H 103 8.406 8.406 7.639 0.767 25437 6088 1 10 . 1 1 104 104 LEU N N 104 115.551 115.551 118.949 -3.398 25437 6089 1 10 . 1 1 104 104 LEU HA H 104 4.360 4.360 4.112 0.248 25437 6090 1 10 . 1 1 104 104 LEU CA C 104 55.185 55.185 56.103 -0.918 25437 6091 1 10 . 1 1 104 104 LEU CB C 104 43.105 43.105 42.339 0.766 25437 6092 1 10 . 1 1 104 104 LEU H H 104 7.999 7.999 8.175 -0.176 25437 6093 1 10 . 1 1 105 105 GLY N N 105 110.561 110.561 105.747 4.814 25437 6094 1 10 . 1 1 105 105 GLY CA C 105 46.480 46.480 45.636 0.844 25437 6095 1 10 . 1 1 105 105 GLY H H 105 7.898 7.898 7.662 0.236 25437 6096 1 10 . 1 1 106 106 ILE N N 106 121.745 121.745 122.159 -0.414 25437 6097 1 10 . 1 1 106 106 ILE HA H 106 4.227 4.227 3.944 0.283 25437 6098 1 10 . 1 1 106 106 ILE CA C 106 59.717 59.717 61.723 -2.006 25437 6099 1 10 . 1 1 106 106 ILE CB C 106 41.096 41.096 38.620 2.476 25437 6100 1 10 . 1 1 106 106 ILE H H 106 8.428 8.428 7.729 0.699 25437 6101 1 10 . 1 1 107 107 LYS N N 107 127.736 127.736 128.379 -0.643 25437 6102 1 10 . 1 1 107 107 LYS HA H 107 4.275 4.275 4.156 0.119 25437 6103 1 10 . 1 1 107 107 LYS CA C 107 57.224 57.224 57.378 -0.154 25437 6104 1 10 . 1 1 107 107 LYS CB C 107 32.752 32.752 32.185 0.567 25437 6105 1 10 . 1 1 107 107 LYS H H 107 8.489 8.489 8.543 -0.054 25437 6106 1 10 . 1 1 108 108 LEU N N 108 122.881 122.881 125.095 -2.214 25437 6107 1 10 . 1 1 108 108 LEU HA H 108 5.235 5.235 4.696 0.539 25437 6108 1 10 . 1 1 108 108 LEU CA C 108 53.287 53.287 54.141 -0.854 25437 6109 1 10 . 1 1 108 108 LEU CB C 108 47.016 47.016 45.103 1.913 25437 6110 1 10 . 1 1 108 108 LEU H H 108 8.049 8.049 8.198 -0.149 25437 6111 1 10 . 1 1 109 109 ARG N N 109 120.726 120.726 124.603 -3.877 25437 6112 1 10 . 1 1 109 109 ARG HA H 109 4.438 4.438 3.965 0.473 25437 6113 1 10 . 1 1 109 109 ARG CA C 109 55.193 55.193 55.969 -0.776 25437 6114 1 10 . 1 1 109 109 ARG CB C 109 33.519 33.519 33.528 -0.009 25437 6115 1 10 . 1 1 109 109 ARG H H 109 8.736 8.736 8.032 0.704 25437 6116 1 10 . 1 1 110 110 PHE N N 110 121.516 121.516 121.898 -0.382 25437 6117 1 10 . 1 1 110 110 PHE HA H 110 5.303 5.303 4.984 0.319 25437 6118 1 10 . 1 1 110 110 PHE CA C 110 56.644 56.644 55.484 1.160 25437 6119 1 10 . 1 1 110 110 PHE CB C 110 40.602 40.602 39.430 1.172 25437 6120 1 10 . 1 1 110 110 PHE H H 110 8.707 8.707 8.079 0.628 25437 6121 1 10 . 1 1 111 111 GLY N N 111 108.992 108.992 111.131 -2.139 25437 6122 1 10 . 1 1 111 111 GLY CA C 111 45.604 45.604 45.188 0.416 25437 6123 1 10 . 1 1 111 111 GLY H H 111 7.819 7.819 8.618 -0.799 25437 6124 1 10 . 1 1 112 112 ALA N N 112 111.448 111.448 123.631 -12.183 25437 6125 1 10 . 1 1 112 112 ALA HA H 112 3.858 3.858 4.533 -0.675 25437 6126 1 10 . 1 1 112 112 ALA CA C 112 52.083 52.083 52.902 -0.819 25437 6127 1 10 . 1 1 112 112 ALA CB C 112 18.655 18.655 19.995 -1.340 25437 6128 1 10 . 1 1 112 112 ALA H H 112 7.945 7.945 8.216 -0.271 25437 6129 1 10 . 1 1 113 113 ASP N N 113 106.770 106.770 117.616 -10.846 25437 6130 1 10 . 1 1 113 113 ASP HA H 113 5.157 5.157 4.687 0.470 25437 6131 1 10 . 1 1 113 113 ASP CA C 113 52.285 52.285 54.641 -2.356 25437 6132 1 10 . 1 1 113 113 ASP CB C 113 41.465 41.465 40.963 0.502 25437 6133 1 10 . 1 1 113 113 ASP H H 113 7.000 7.000 8.106 -1.106 25437 6134 1 10 . 1 1 114 114 TRP N N 114 119.829 119.829 121.549 -1.720 25437 6135 1 10 . 1 1 114 114 TRP HA H 114 4.184 4.184 4.455 -0.271 25437 6136 1 10 . 1 1 114 114 TRP CA C 114 61.455 61.455 59.811 1.644 25437 6137 1 10 . 1 1 114 114 TRP CB C 114 26.427 26.427 28.853 -2.426 25437 6138 1 10 . 1 1 114 114 TRP H H 114 7.589 7.589 8.078 -0.489 25437 6139 1 10 . 1 1 115 115 ASN N N 115 117.900 117.900 118.569 -0.669 25437 6140 1 10 . 1 1 115 115 ASN HA H 115 4.548 4.548 4.535 0.013 25437 6141 1 10 . 1 1 115 115 ASN CA C 115 55.955 55.955 55.613 0.342 25437 6142 1 10 . 1 1 115 115 ASN CB C 115 36.818 36.818 37.991 -1.173 25437 6143 1 10 . 1 1 115 115 ASN H H 115 9.503 9.503 8.716 0.787 25437 6144 1 10 . 1 1 116 116 ALA N N 116 123.758 123.758 119.573 4.185 25437 6145 1 10 . 1 1 116 116 ALA HA H 116 4.181 4.181 4.479 -0.298 25437 6146 1 10 . 1 1 116 116 ALA CA C 116 53.111 53.111 53.622 -0.511 25437 6147 1 10 . 1 1 116 116 ALA CB C 116 16.596 16.596 18.806 -2.210 25437 6148 1 10 . 1 1 116 116 ALA H H 116 8.079 8.079 7.922 0.157 25437 6149 1 10 . 1 1 117 117 SER N N 117 116.009 116.009 115.059 0.950 25437 6150 1 10 . 1 1 117 117 SER HA H 117 4.417 4.417 4.235 0.182 25437 6151 1 10 . 1 1 117 117 SER CA C 117 59.433 59.433 60.903 -1.470 25437 6152 1 10 . 1 1 117 117 SER CB C 117 65.026 65.026 63.421 1.605 25437 6153 1 10 . 1 1 117 117 SER H H 117 9.460 9.460 7.993 1.467 25437 6154 1 10 . 1 1 118 118 GLY N N 118 115.031 115.031 109.668 5.363 25437 6155 1 10 . 1 1 118 118 GLY CA C 118 45.197 45.197 45.077 0.120 25437 6156 1 10 . 1 1 118 118 GLY H H 118 10.733 10.733 8.100 2.633 25437 6157 1 10 . 1 1 119 119 ASP N N 119 116.435 116.435 120.383 -3.948 25437 6158 1 10 . 1 1 119 119 ASP HA H 119 4.590 4.590 4.759 -0.169 25437 6159 1 10 . 1 1 119 119 ASP CA C 119 53.181 53.181 53.892 -0.711 25437 6160 1 10 . 1 1 119 119 ASP CB C 119 43.864 43.864 42.013 1.851 25437 6161 1 10 . 1 1 119 119 ASP H H 119 7.770 7.770 8.207 -0.437 25437 6162 1 10 . 1 1 120 120 TYR N N 120 120.253 120.253 119.231 1.022 25437 6163 1 10 . 1 1 120 120 TYR HA H 120 6.088 6.088 4.497 1.591 25437 6164 1 10 . 1 1 120 120 TYR CA C 120 56.003 56.003 58.728 -2.725 25437 6165 1 10 . 1 1 120 120 TYR CB C 120 40.371 40.371 40.054 0.317 25437 6166 1 10 . 1 1 120 120 TYR H H 120 6.801 6.801 8.509 -1.708 25437 6167 1 10 . 1 1 121 121 HIS HA H 121 4.537 4.537 4.365 0.172 25437 6168 1 10 . 1 1 121 121 HIS CA C 121 59.002 59.002 57.913 1.089 25437 6169 1 10 . 1 1 121 121 HIS CB C 121 27.950 27.950 29.814 -1.864 25437 6170 1 10 . 1 1 122 122 ASP N N 122 111.622 111.622 117.931 -6.309 25437 6171 1 10 . 1 1 122 122 ASP HA H 122 4.815 4.815 4.322 0.493 25437 6172 1 10 . 1 1 122 122 ASP CA C 122 51.612 51.612 54.732 -3.120 25437 6173 1 10 . 1 1 122 122 ASP CB C 122 36.980 36.980 40.176 -3.196 25437 6174 1 10 . 1 1 122 122 ASP H H 122 8.154 8.154 7.814 0.340 25437 6175 1 10 . 1 1 124 124 ILE N N 124 119.763 119.763 116.567 3.196 25437 6176 1 10 . 1 1 124 124 ILE HA H 124 3.843 3.843 3.848 -0.005 25437 6177 1 10 . 1 1 124 124 ILE CA C 124 64.714 64.714 62.520 2.194 25437 6178 1 10 . 1 1 124 124 ILE CB C 124 36.859 36.859 36.896 -0.037 25437 6179 1 10 . 1 1 124 124 ILE H H 124 7.639 7.639 8.442 -0.803 25437 6180 1 10 . 1 1 125 125 LYS N N 125 121.010 121.010 118.494 2.516 25437 6181 1 10 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.106 0.003 25437 6182 1 10 . 1 1 125 125 LYS CA C 125 59.241 59.241 57.748 1.493 25437 6183 1 10 . 1 1 125 125 LYS CB C 125 31.985 31.985 31.936 0.049 25437 6184 1 10 . 1 1 125 125 LYS H H 125 7.739 7.739 8.239 -0.500 25437 6185 1 10 . 1 1 126 126 ARG N N 126 115.276 115.276 116.637 -1.361 25437 6186 1 10 . 1 1 126 126 ARG HA H 126 4.338 4.338 4.425 -0.087 25437 6187 1 10 . 1 1 126 126 ARG CA C 126 57.189 57.189 55.367 1.822 25437 6188 1 10 . 1 1 126 126 ARG CB C 126 31.015 31.015 31.247 -0.232 25437 6189 1 10 . 1 1 126 126 ARG H H 126 7.904 7.904 7.280 0.624 25437 6190 1 10 . 1 1 127 127 GLY N N 127 107.767 107.767 108.618 -0.851 25437 6191 1 10 . 1 1 127 127 GLY CA C 127 45.822 45.822 46.067 -0.245 25437 6192 1 10 . 1 1 127 127 GLY H H 127 7.912 7.912 8.342 -0.430 25437 6193 1 10 . 1 1 128 128 THR N N 128 107.570 107.570 113.369 -5.799 25437 6194 1 10 . 1 1 128 128 THR HA H 128 4.252 4.252 4.266 -0.014 25437 6195 1 10 . 1 1 128 128 THR CA C 128 60.620 60.620 61.370 -0.750 25437 6196 1 10 . 1 1 128 128 THR CB C 128 69.224 69.224 70.133 -0.909 25437 6197 1 10 . 1 1 128 128 THR H H 128 8.121 8.121 7.540 0.581 25437 6198 1 10 . 1 1 129 129 TYR N N 129 123.143 123.143 121.278 1.865 25437 6199 1 10 . 1 1 129 129 TYR HA H 129 4.173 4.173 4.154 0.019 25437 6200 1 10 . 1 1 129 129 TYR CA C 129 61.448 61.448 58.490 2.958 25437 6201 1 10 . 1 1 129 129 TYR CB C 129 38.796 38.796 38.885 -0.089 25437 6202 1 10 . 1 1 129 129 TYR H H 129 7.209 7.209 8.597 -1.388 25437 6203 1 10 . 1 1 130 130 ASP N N 130 117.930 117.930 120.970 -3.040 25437 6204 1 10 . 1 1 130 130 ASP HA H 130 4.641 4.641 4.300 0.341 25437 6205 1 10 . 1 1 130 130 ASP CA C 130 53.440 53.440 55.940 -2.500 25437 6206 1 10 . 1 1 130 130 ASP CB C 130 43.221 43.221 40.075 3.146 25437 6207 1 10 . 1 1 130 130 ASP H H 130 8.216 8.216 7.440 0.776 25437 6208 1 10 . 1 1 132 132 GLY N N 132 107.481 107.481 109.530 -2.049 25437 6209 1 10 . 1 1 132 132 GLY CA C 132 44.013 44.013 44.780 -0.767 25437 6210 1 10 . 1 1 132 132 GLY H H 132 8.304 8.304 7.620 0.684 25437 6211 1 10 . 1 1 133 133 HIS N N 133 117.609 117.609 120.929 -3.320 25437 6212 1 10 . 1 1 133 133 HIS HA H 133 5.430 5.430 4.540 0.890 25437 6213 1 10 . 1 1 133 133 HIS CA C 133 57.155 57.155 57.239 -0.084 25437 6214 1 10 . 1 1 133 133 HIS CB C 133 31.667 31.667 29.568 2.099 25437 6215 1 10 . 1 1 133 133 HIS H H 133 6.942 6.942 7.737 -0.795 25437 6216 1 10 . 1 1 134 134 VAL N N 134 133.201 133.201 123.582 9.619 25437 6217 1 10 . 1 1 134 134 VAL HA H 134 4.254 4.254 4.594 -0.340 25437 6218 1 10 . 1 1 134 134 VAL CA C 134 61.676 61.676 60.007 1.669 25437 6219 1 10 . 1 1 134 134 VAL CB C 134 34.775 34.775 33.281 1.494 25437 6220 1 10 . 1 1 134 134 VAL H H 134 9.127 9.127 8.244 0.883 25437 6221 1 10 . 1 1 135 135 GLU N N 135 119.904 119.904 123.007 -3.103 25437 6222 1 10 . 1 1 135 135 GLU HA H 135 5.458 5.458 4.987 0.471 25437 6223 1 10 . 1 1 135 135 GLU CA C 135 52.126 52.126 53.973 -1.847 25437 6224 1 10 . 1 1 135 135 GLU CB C 135 34.550 34.550 33.642 0.908 25437 6225 1 10 . 1 1 135 135 GLU H H 135 8.501 8.501 8.164 0.337 25437 6226 1 10 . 1 1 136 136 LEU N N 136 119.357 119.357 122.727 -3.370 25437 6227 1 10 . 1 1 136 136 LEU HA H 136 4.432 4.432 4.606 -0.174 25437 6228 1 10 . 1 1 136 136 LEU CA C 136 54.772 54.772 54.915 -0.143 25437 6229 1 10 . 1 1 136 136 LEU CB C 136 42.524 42.524 42.398 0.126 25437 6230 1 10 . 1 1 136 136 LEU H H 136 8.280 8.280 8.426 -0.146 25437 6231 1 11 . 1 1 3 3 PHE N N 3 121.785 121.785 120.121 1.664 25437 6232 1 11 . 1 1 3 3 PHE HA H 3 4.792 4.792 3.998 0.794 25437 6233 1 11 . 1 1 3 3 PHE CA C 3 56.407 56.407 59.624 -3.217 25437 6234 1 11 . 1 1 3 3 PHE CB C 3 40.111 40.111 39.286 0.825 25437 6235 1 11 . 1 1 3 3 PHE H H 3 8.534 8.534 8.063 0.471 25437 6236 1 11 . 1 1 4 4 LYS N N 4 119.409 119.409 123.980 -4.571 25437 6237 1 11 . 1 1 4 4 LYS HA H 4 4.452 4.452 4.063 0.389 25437 6238 1 11 . 1 1 4 4 LYS CA C 4 54.774 54.774 53.765 1.009 25437 6239 1 11 . 1 1 4 4 LYS CB C 4 35.710 35.710 35.122 0.588 25437 6240 1 11 . 1 1 4 4 LYS H H 4 8.367 8.367 7.228 1.139 25437 6241 1 11 . 1 1 5 5 PHE N N 5 124.495 124.495 120.603 3.892 25437 6242 1 11 . 1 1 5 5 PHE HA H 5 4.873 4.873 4.436 0.437 25437 6243 1 11 . 1 1 5 5 PHE CA C 5 58.636 58.636 57.316 1.320 25437 6244 1 11 . 1 1 5 5 PHE CB C 5 39.217 39.217 38.276 0.941 25437 6245 1 11 . 1 1 5 5 PHE H H 5 8.603 8.603 7.843 0.760 25437 6246 1 11 . 1 1 6 6 GLY N N 6 108.622 108.622 110.695 -2.073 25437 6247 1 11 . 1 1 6 6 GLY CA C 6 43.819 43.819 44.559 -0.740 25437 6248 1 11 . 1 1 6 6 GLY H H 6 8.559 8.559 8.307 0.252 25437 6249 1 11 . 1 1 7 7 LYS N N 7 119.341 119.341 119.095 0.246 25437 6250 1 11 . 1 1 7 7 LYS HA H 7 3.958 3.958 3.997 -0.039 25437 6251 1 11 . 1 1 7 7 LYS CA C 7 60.087 60.087 58.915 1.172 25437 6252 1 11 . 1 1 7 7 LYS CB C 7 32.399 32.399 32.419 -0.020 25437 6253 1 11 . 1 1 7 7 LYS H H 7 8.692 8.692 8.640 0.052 25437 6254 1 11 . 1 1 8 8 ASN N N 8 118.555 118.555 117.897 0.658 25437 6255 1 11 . 1 1 8 8 ASN HA H 8 4.551 4.551 4.632 -0.081 25437 6256 1 11 . 1 1 8 8 ASN CA C 8 56.776 56.776 56.022 0.754 25437 6257 1 11 . 1 1 8 8 ASN CB C 8 36.961 36.961 38.056 -1.095 25437 6258 1 11 . 1 1 8 8 ASN H H 8 9.185 9.185 8.440 0.745 25437 6259 1 11 . 1 1 9 9 SER N N 9 118.632 118.632 116.337 2.295 25437 6260 1 11 . 1 1 9 9 SER HA H 9 4.283 4.283 4.123 0.160 25437 6261 1 11 . 1 1 9 9 SER CA C 9 62.790 62.790 61.904 0.886 25437 6262 1 11 . 1 1 9 9 SER CB C 9 62.790 62.790 62.715 0.075 25437 6263 1 11 . 1 1 9 9 SER H H 9 8.076 8.076 8.151 -0.075 25437 6264 1 11 . 1 1 10 10 GLU N N 10 120.882 120.882 121.151 -0.269 25437 6265 1 11 . 1 1 10 10 GLU HA H 10 3.977 3.977 4.060 -0.083 25437 6266 1 11 . 1 1 10 10 GLU CA C 10 59.409 59.409 59.694 -0.285 25437 6267 1 11 . 1 1 10 10 GLU CB C 10 28.556 28.556 29.806 -1.250 25437 6268 1 11 . 1 1 10 10 GLU H H 10 8.351 8.351 8.336 0.015 25437 6269 1 11 . 1 1 11 11 LYS N N 11 120.030 120.030 118.802 1.228 25437 6270 1 11 . 1 1 11 11 LYS HA H 11 4.056 4.056 4.117 -0.061 25437 6271 1 11 . 1 1 11 11 LYS CA C 11 59.477 59.477 58.762 0.715 25437 6272 1 11 . 1 1 11 11 LYS CB C 11 32.032 32.032 31.687 0.345 25437 6273 1 11 . 1 1 11 11 LYS H H 11 7.937 7.937 7.487 0.450 25437 6274 1 11 . 1 1 12 12 GLN N N 12 114.749 114.749 119.418 -4.669 25437 6275 1 11 . 1 1 12 12 GLN HA H 12 4.147 4.147 4.090 0.057 25437 6276 1 11 . 1 1 12 12 GLN CA C 12 57.373 57.373 59.161 -1.788 25437 6277 1 11 . 1 1 12 12 GLN CB C 12 28.511 28.511 28.799 -0.288 25437 6278 1 11 . 1 1 12 12 GLN H H 12 7.562 7.562 8.008 -0.446 25437 6279 1 11 . 1 1 13 13 LEU N N 13 121.751 121.751 117.963 3.788 25437 6280 1 11 . 1 1 13 13 LEU HA H 13 3.880 3.880 4.249 -0.369 25437 6281 1 11 . 1 1 13 13 LEU CA C 13 57.080 57.080 56.309 0.771 25437 6282 1 11 . 1 1 13 13 LEU CB C 13 42.413 42.413 40.650 1.763 25437 6283 1 11 . 1 1 13 13 LEU H H 13 8.725 8.725 8.133 0.592 25437 6284 1 11 . 1 1 14 14 ALA N N 14 116.323 116.323 119.995 -3.672 25437 6285 1 11 . 1 1 14 14 ALA HA H 14 4.070 4.070 4.162 -0.092 25437 6286 1 11 . 1 1 14 14 ALA CA C 14 53.706 53.706 54.075 -0.369 25437 6287 1 11 . 1 1 14 14 ALA CB C 14 18.020 18.020 18.655 -0.635 25437 6288 1 11 . 1 1 14 14 ALA H H 14 7.574 7.574 7.804 -0.230 25437 6289 1 11 . 1 1 15 15 THR N N 15 104.034 104.034 111.984 -7.950 25437 6290 1 11 . 1 1 15 15 THR HA H 15 4.431 4.431 4.417 0.014 25437 6291 1 11 . 1 1 15 15 THR CA C 15 62.381 62.381 63.423 -1.042 25437 6292 1 11 . 1 1 15 15 THR CB C 15 70.327 70.327 69.851 0.476 25437 6293 1 11 . 1 1 15 15 THR H H 15 7.326 7.326 7.475 -0.149 25437 6294 1 11 . 1 1 16 16 VAL N N 16 112.438 112.438 122.246 -9.808 25437 6295 1 11 . 1 1 16 16 VAL HA H 16 4.922 4.922 3.824 1.098 25437 6296 1 11 . 1 1 16 16 VAL CA C 16 59.661 59.661 63.725 -4.064 25437 6297 1 11 . 1 1 16 16 VAL CB C 16 32.989 32.989 32.739 0.250 25437 6298 1 11 . 1 1 16 16 VAL H H 16 7.164 7.164 7.246 -0.082 25437 6299 1 11 . 1 1 17 17 LYS N N 17 120.729 120.729 128.611 -7.882 25437 6300 1 11 . 1 1 17 17 LYS HA H 17 4.230 4.230 4.332 -0.102 25437 6301 1 11 . 1 1 17 17 LYS CA C 17 55.486 55.486 57.740 -2.254 25437 6302 1 11 . 1 1 17 17 LYS CB C 17 32.079 32.079 31.069 1.010 25437 6303 1 11 . 1 1 17 17 LYS H H 17 8.907 8.907 8.674 0.233 25437 6304 1 11 . 1 1 18 18 PRO HA H 18 4.130 4.130 4.464 -0.334 25437 6305 1 11 . 1 1 18 18 PRO CA C 18 65.813 65.813 63.071 2.742 25437 6306 1 11 . 1 1 18 18 PRO CB C 18 31.864 31.864 31.943 -0.079 25437 6307 1 11 . 1 1 19 19 GLU N N 19 117.608 117.608 117.751 -0.143 25437 6308 1 11 . 1 1 19 19 GLU HA H 19 4.011 4.011 4.415 -0.404 25437 6309 1 11 . 1 1 19 19 GLU CA C 19 61.031 61.031 56.651 4.380 25437 6310 1 11 . 1 1 19 19 GLU CB C 19 29.117 29.117 29.119 -0.002 25437 6311 1 11 . 1 1 19 19 GLU H H 19 9.714 9.714 8.718 0.996 25437 6312 1 11 . 1 1 20 20 LEU N N 20 117.938 117.938 118.659 -0.721 25437 6313 1 11 . 1 1 20 20 LEU HA H 20 4.258 4.258 3.969 0.289 25437 6314 1 11 . 1 1 20 20 LEU CA C 20 56.261 56.261 58.044 -1.783 25437 6315 1 11 . 1 1 20 20 LEU CB C 20 41.894 41.894 40.745 1.149 25437 6316 1 11 . 1 1 20 20 LEU H H 20 7.188 7.188 7.923 -0.735 25437 6317 1 11 . 1 1 21 21 GLN N N 21 118.367 118.367 118.252 0.115 25437 6318 1 11 . 1 1 21 21 GLN HA H 21 3.831 3.831 4.003 -0.172 25437 6319 1 11 . 1 1 21 21 GLN CA C 21 60.100 60.100 58.607 1.493 25437 6320 1 11 . 1 1 21 21 GLN CB C 21 27.745 27.745 27.598 0.147 25437 6321 1 11 . 1 1 21 21 GLN H H 21 7.805 7.805 8.423 -0.618 25437 6322 1 11 . 1 1 22 22 LYS N N 22 116.715 116.715 120.262 -3.547 25437 6323 1 11 . 1 1 22 22 LYS HA H 22 3.962 3.962 3.945 0.017 25437 6324 1 11 . 1 1 22 22 LYS CA C 22 59.816 59.816 59.657 0.159 25437 6325 1 11 . 1 1 22 22 LYS CB C 22 32.520 32.520 31.968 0.551 25437 6326 1 11 . 1 1 22 22 LYS H H 22 8.143 8.143 8.168 -0.025 25437 6327 1 11 . 1 1 23 23 VAL N N 23 118.397 118.397 118.820 -0.423 25437 6328 1 11 . 1 1 23 23 VAL HA H 23 3.591 3.591 3.600 -0.009 25437 6329 1 11 . 1 1 23 23 VAL CA C 23 66.313 66.313 66.039 0.274 25437 6330 1 11 . 1 1 23 23 VAL CB C 23 31.529 31.529 31.223 0.306 25437 6331 1 11 . 1 1 23 23 VAL H H 23 7.715 7.715 7.601 0.114 25437 6332 1 11 . 1 1 24 24 ALA N N 24 121.929 121.929 121.843 0.086 25437 6333 1 11 . 1 1 24 24 ALA HA H 24 4.024 4.024 3.340 0.684 25437 6334 1 11 . 1 1 24 24 ALA CA C 24 55.444 55.444 55.215 0.229 25437 6335 1 11 . 1 1 24 24 ALA CB C 24 18.086 18.086 18.347 -0.261 25437 6336 1 11 . 1 1 24 24 ALA H H 24 8.307 8.307 7.289 1.018 25437 6337 1 11 . 1 1 25 25 ARG N N 25 114.491 114.491 119.077 -4.586 25437 6338 1 11 . 1 1 25 25 ARG HA H 25 4.114 4.114 4.176 -0.062 25437 6339 1 11 . 1 1 25 25 ARG CA C 25 60.717 60.717 59.940 0.777 25437 6340 1 11 . 1 1 25 25 ARG CB C 25 29.257 29.257 30.416 -1.159 25437 6341 1 11 . 1 1 25 25 ARG H H 25 8.224 8.224 8.549 -0.325 25437 6342 1 11 . 1 1 26 26 ARG N N 26 119.944 119.944 118.935 1.009 25437 6343 1 11 . 1 1 26 26 ARG HA H 26 4.223 4.223 3.982 0.241 25437 6344 1 11 . 1 1 26 26 ARG CA C 26 57.097 57.097 59.209 -2.112 25437 6345 1 11 . 1 1 26 26 ARG CB C 26 28.888 28.888 30.085 -1.197 25437 6346 1 11 . 1 1 26 26 ARG H H 26 7.703 7.703 8.097 -0.394 25437 6347 1 11 . 1 1 27 27 ALA N N 27 122.041 122.041 122.362 -0.321 25437 6348 1 11 . 1 1 27 27 ALA HA H 27 3.611 3.611 3.907 -0.296 25437 6349 1 11 . 1 1 27 27 ALA CA C 27 55.249 55.249 54.965 0.284 25437 6350 1 11 . 1 1 27 27 ALA CB C 27 15.829 15.829 17.801 -1.972 25437 6351 1 11 . 1 1 27 27 ALA H H 27 8.754 8.754 8.255 0.499 25437 6352 1 11 . 1 1 28 28 LEU N N 28 117.421 117.421 119.077 -1.656 25437 6353 1 11 . 1 1 28 28 LEU HA H 28 4.053 4.053 4.304 -0.251 25437 6354 1 11 . 1 1 28 28 LEU CA C 28 57.757 57.757 58.162 -0.405 25437 6355 1 11 . 1 1 28 28 LEU CB C 28 40.351 40.351 41.562 -1.211 25437 6356 1 11 . 1 1 28 28 LEU H H 28 7.657 7.657 7.959 -0.302 25437 6357 1 11 . 1 1 29 29 GLU N N 29 114.911 114.911 117.336 -2.425 25437 6358 1 11 . 1 1 29 29 GLU HA H 29 4.023 4.023 4.161 -0.138 25437 6359 1 11 . 1 1 29 29 GLU CA C 29 58.489 58.489 58.188 0.301 25437 6360 1 11 . 1 1 29 29 GLU CB C 29 29.540 29.540 30.122 -0.582 25437 6361 1 11 . 1 1 29 29 GLU H H 29 7.039 7.039 7.577 -0.538 25437 6362 1 11 . 1 1 30 30 LEU N N 30 117.166 117.166 118.942 -1.776 25437 6363 1 11 . 1 1 30 30 LEU HA H 30 4.281 4.281 4.011 0.270 25437 6364 1 11 . 1 1 30 30 LEU CA C 30 55.266 55.266 56.708 -1.442 25437 6365 1 11 . 1 1 30 30 LEU CB C 30 44.403 44.403 42.337 2.066 25437 6366 1 11 . 1 1 30 30 LEU H H 30 7.353 7.353 8.151 -0.798 25437 6367 1 11 . 1 1 31 31 SER N N 31 116.260 116.260 114.364 1.896 25437 6368 1 11 . 1 1 31 31 SER HA H 31 4.557 4.557 4.272 0.285 25437 6369 1 11 . 1 1 31 31 SER CA C 31 55.723 55.723 57.009 -1.286 25437 6370 1 11 . 1 1 31 31 SER CB C 31 65.560 65.560 64.147 1.413 25437 6371 1 11 . 1 1 31 31 SER H H 31 7.742 7.742 7.811 -0.069 25437 6372 1 11 . 1 1 32 32 PRO HA H 32 4.609 4.609 4.258 0.351 25437 6373 1 11 . 1 1 32 32 PRO CA C 32 63.483 63.483 63.837 -0.354 25437 6374 1 11 . 1 1 32 32 PRO CB C 32 31.236 31.236 31.638 -0.402 25437 6375 1 11 . 1 1 33 33 TYR N N 33 114.714 114.714 117.856 -3.142 25437 6376 1 11 . 1 1 33 33 TYR HA H 33 4.710 4.710 4.744 -0.034 25437 6377 1 11 . 1 1 33 33 TYR CA C 33 56.742 56.742 55.207 1.535 25437 6378 1 11 . 1 1 33 33 TYR CB C 33 41.506 41.506 39.375 2.131 25437 6379 1 11 . 1 1 33 33 TYR H H 33 7.727 7.727 7.389 0.338 25437 6380 1 11 . 1 1 34 34 ASP N N 34 125.197 125.197 120.352 4.845 25437 6381 1 11 . 1 1 34 34 ASP HA H 34 3.524 3.524 4.601 -1.077 25437 6382 1 11 . 1 1 34 34 ASP CA C 34 52.353 52.353 56.475 -4.122 25437 6383 1 11 . 1 1 34 34 ASP CB C 34 37.720 37.720 41.984 -4.264 25437 6384 1 11 . 1 1 34 34 ASP H H 34 8.630 8.630 8.880 -0.250 25437 6385 1 11 . 1 1 35 35 PHE N N 35 115.803 115.803 113.430 2.373 25437 6386 1 11 . 1 1 35 35 PHE HA H 35 5.131 5.131 5.498 -0.367 25437 6387 1 11 . 1 1 35 35 PHE CA C 35 55.839 55.839 56.726 -0.887 25437 6388 1 11 . 1 1 35 35 PHE CB C 35 40.751 40.751 42.829 -2.078 25437 6389 1 11 . 1 1 35 35 PHE H H 35 7.250 7.250 8.121 -0.871 25437 6390 1 11 . 1 1 36 36 THR N N 36 113.338 113.338 117.250 -3.912 25437 6391 1 11 . 1 1 36 36 THR HA H 36 4.769 4.769 4.336 0.433 25437 6392 1 11 . 1 1 36 36 THR CA C 36 58.833 58.833 59.139 -0.306 25437 6393 1 11 . 1 1 36 36 THR CB C 36 71.387 71.387 70.117 1.270 25437 6394 1 11 . 1 1 36 36 THR H H 36 9.026 9.026 8.737 0.289 25437 6395 1 11 . 1 1 37 37 ILE N N 37 124.219 124.219 126.956 -2.737 25437 6396 1 11 . 1 1 37 37 ILE HA H 37 4.676 4.676 4.283 0.393 25437 6397 1 11 . 1 1 37 37 ILE CA C 37 58.395 58.395 61.734 -3.339 25437 6398 1 11 . 1 1 37 37 ILE CB C 37 34.649 34.649 37.573 -2.924 25437 6399 1 11 . 1 1 37 37 ILE H H 37 8.476 8.476 8.877 -0.401 25437 6400 1 11 . 1 1 38 38 VAL N N 38 124.271 124.271 126.493 -2.222 25437 6401 1 11 . 1 1 38 38 VAL HA H 38 3.981 3.981 4.241 -0.260 25437 6402 1 11 . 1 1 38 38 VAL CA C 38 63.144 63.144 63.085 0.059 25437 6403 1 11 . 1 1 38 38 VAL CB C 38 32.658 32.658 33.258 -0.600 25437 6404 1 11 . 1 1 38 38 VAL H H 38 8.640 8.640 8.519 0.121 25437 6405 1 11 . 1 1 39 39 GLN N N 39 115.210 115.210 117.362 -2.152 25437 6406 1 11 . 1 1 39 39 GLN HA H 39 4.378 4.378 4.603 -0.225 25437 6407 1 11 . 1 1 39 39 GLN CA C 39 56.197 56.197 55.243 0.953 25437 6408 1 11 . 1 1 39 39 GLN CB C 39 33.463 33.463 32.781 0.682 25437 6409 1 11 . 1 1 39 39 GLN H H 39 7.305 7.305 7.858 -0.553 25437 6410 1 11 . 1 1 40 40 GLY N N 40 116.022 116.022 111.507 4.515 25437 6411 1 11 . 1 1 40 40 GLY CA C 40 45.347 45.347 44.891 0.457 25437 6412 1 11 . 1 1 40 40 GLY H H 40 8.851 8.851 8.808 0.043 25437 6413 1 11 . 1 1 41 41 ILE N N 41 132.358 132.358 120.221 12.137 25437 6414 1 11 . 1 1 41 41 ILE HA H 41 4.715 4.715 4.473 0.242 25437 6415 1 11 . 1 1 41 41 ILE CA C 41 61.575 61.575 58.718 2.857 25437 6416 1 11 . 1 1 41 41 ILE CB C 41 38.774 38.774 41.949 -3.175 25437 6417 1 11 . 1 1 41 41 ILE H H 41 8.776 8.776 7.608 1.168 25437 6418 1 11 . 1 1 42 42 ARG N N 42 123.358 123.358 128.103 -4.745 25437 6419 1 11 . 1 1 42 42 ARG HA H 42 4.725 4.725 4.601 0.124 25437 6420 1 11 . 1 1 42 42 ARG CA C 42 54.576 54.576 55.520 -0.944 25437 6421 1 11 . 1 1 42 42 ARG CB C 42 33.425 33.425 30.787 2.638 25437 6422 1 11 . 1 1 42 42 ARG H H 42 7.154 7.154 8.433 -1.279 25437 6423 1 11 . 1 1 43 43 THR N N 43 115.494 115.494 117.103 -1.609 25437 6424 1 11 . 1 1 43 43 THR HA H 43 4.539 4.539 4.520 0.019 25437 6425 1 11 . 1 1 43 43 THR CA C 43 61.022 61.022 60.912 0.110 25437 6426 1 11 . 1 1 43 43 THR CB C 43 70.577 70.577 69.880 0.697 25437 6427 1 11 . 1 1 43 43 THR H H 43 8.519 8.519 8.478 0.041 25437 6428 1 11 . 1 1 44 44 VAL N N 44 121.526 121.526 115.838 5.688 25437 6429 1 11 . 1 1 44 44 VAL HA H 44 3.956 3.956 4.170 -0.214 25437 6430 1 11 . 1 1 44 44 VAL CA C 44 63.977 63.977 64.000 -0.023 25437 6431 1 11 . 1 1 44 44 VAL CB C 44 32.313 32.313 30.935 1.378 25437 6432 1 11 . 1 1 44 44 VAL H H 44 8.516 8.516 8.317 0.199 25437 6433 1 11 . 1 1 45 45 ALA N N 45 125.457 125.457 121.886 3.571 25437 6434 1 11 . 1 1 45 45 ALA HA H 45 4.260 4.260 4.519 -0.259 25437 6435 1 11 . 1 1 45 45 ALA CA C 45 53.278 53.278 53.485 -0.207 25437 6436 1 11 . 1 1 45 45 ALA CB C 45 18.641 18.641 19.505 -0.864 25437 6437 1 11 . 1 1 45 45 ALA H H 45 8.311 8.311 7.994 0.318 25437 6438 1 11 . 1 1 46 46 GLN N N 46 118.271 118.271 120.066 -1.795 25437 6439 1 11 . 1 1 46 46 GLN HA H 46 4.232 4.232 4.066 0.166 25437 6440 1 11 . 1 1 46 46 GLN CA C 46 56.717 56.717 58.315 -1.598 25437 6441 1 11 . 1 1 46 46 GLN CB C 46 28.901 28.901 28.265 0.636 25437 6442 1 11 . 1 1 46 46 GLN H H 46 8.109 8.109 7.970 0.139 25437 6443 1 11 . 1 1 47 47 SER N N 47 116.127 116.127 114.439 1.688 25437 6444 1 11 . 1 1 47 47 SER HA H 47 4.361 4.361 4.178 0.183 25437 6445 1 11 . 1 1 47 47 SER CA C 47 59.082 59.082 60.935 -1.853 25437 6446 1 11 . 1 1 47 47 SER CB C 47 64.009 64.009 62.880 1.129 25437 6447 1 11 . 1 1 47 47 SER H H 47 8.199 8.199 8.054 0.145 25437 6448 1 11 . 1 1 48 48 ALA N N 48 124.628 124.628 123.544 1.084 25437 6449 1 11 . 1 1 48 48 ALA HA H 48 4.253 4.253 4.283 -0.030 25437 6450 1 11 . 1 1 48 48 ALA CA C 48 53.325 53.325 54.033 -0.708 25437 6451 1 11 . 1 1 48 48 ALA CB C 48 18.552 18.552 18.676 -0.124 25437 6452 1 11 . 1 1 48 48 ALA H H 48 8.315 8.315 8.244 0.071 25437 6453 1 11 . 1 1 49 49 GLN N N 49 119.160 119.160 118.832 0.328 25437 6454 1 11 . 1 1 49 49 GLN HA H 49 4.232 4.232 4.098 0.134 25437 6455 1 11 . 1 1 49 49 GLN CA C 49 56.850 56.850 57.831 -0.981 25437 6456 1 11 . 1 1 49 49 GLN CB C 49 28.992 28.992 28.598 0.394 25437 6457 1 11 . 1 1 49 49 GLN H H 49 8.153 8.153 7.925 0.228 25437 6458 1 11 . 1 1 50 50 ASN N N 50 119.112 119.112 119.774 -0.662 25437 6459 1 11 . 1 1 50 50 ASN HA H 50 4.660 4.660 4.407 0.253 25437 6460 1 11 . 1 1 50 50 ASN CA C 50 53.572 53.572 56.915 -3.343 25437 6461 1 11 . 1 1 50 50 ASN CB C 50 38.376 38.376 38.395 -0.019 25437 6462 1 11 . 1 1 50 50 ASN H H 50 8.205 8.205 8.109 0.096 25437 6463 1 11 . 1 1 51 51 ILE N N 51 120.639 120.639 116.954 3.685 25437 6464 1 11 . 1 1 51 51 ILE HA H 51 4.095 4.095 4.128 -0.033 25437 6465 1 11 . 1 1 51 51 ILE CA C 51 61.954 61.954 63.305 -1.351 25437 6466 1 11 . 1 1 51 51 ILE CB C 51 38.414 38.414 37.281 1.133 25437 6467 1 11 . 1 1 51 51 ILE H H 51 7.939 7.939 7.400 0.539 25437 6468 1 11 . 1 1 52 52 ALA N N 52 126.459 126.459 122.900 3.559 25437 6469 1 11 . 1 1 52 52 ALA HA H 52 4.246 4.246 3.913 0.333 25437 6470 1 11 . 1 1 52 52 ALA CA C 52 53.189 53.189 54.875 -1.686 25437 6471 1 11 . 1 1 52 52 ALA CB C 52 18.453 18.453 17.754 0.699 25437 6472 1 11 . 1 1 52 52 ALA H H 52 8.251 8.251 8.179 0.072 25437 6473 1 11 . 1 1 53 53 ASN N N 53 116.801 116.801 116.358 0.443 25437 6474 1 11 . 1 1 53 53 ASN HA H 53 4.648 4.648 4.488 0.160 25437 6475 1 11 . 1 1 53 53 ASN CA C 53 53.425 53.425 54.379 -0.954 25437 6476 1 11 . 1 1 53 53 ASN CB C 53 38.600 38.600 39.347 -0.747 25437 6477 1 11 . 1 1 53 53 ASN H H 53 8.230 8.230 7.707 0.523 25437 6478 1 11 . 1 1 54 54 GLY N N 54 108.549 108.549 107.460 1.089 25437 6479 1 11 . 1 1 54 54 GLY CA C 54 45.746 45.746 44.699 1.047 25437 6480 1 11 . 1 1 54 54 GLY H H 54 8.191 8.191 8.144 0.047 25437 6481 1 11 . 1 1 55 55 THR N N 55 112.528 112.528 112.072 0.456 25437 6482 1 11 . 1 1 55 55 THR HA H 55 4.282 4.282 4.403 -0.121 25437 6483 1 11 . 1 1 55 55 THR CA C 55 62.118 62.118 60.614 1.504 25437 6484 1 11 . 1 1 55 55 THR CB C 55 69.796 69.796 70.295 -0.499 25437 6485 1 11 . 1 1 55 55 THR H H 55 8.003 8.003 7.863 0.140 25437 6486 1 11 . 1 1 56 56 SER N N 56 116.986 116.986 120.042 -3.056 25437 6487 1 11 . 1 1 56 56 SER HA H 56 4.362 4.362 4.287 0.075 25437 6488 1 11 . 1 1 56 56 SER CA C 56 58.454 58.454 59.424 -0.970 25437 6489 1 11 . 1 1 56 56 SER CB C 56 63.762 63.762 63.414 0.348 25437 6490 1 11 . 1 1 56 56 SER H H 56 8.043 8.043 8.613 -0.570 25437 6491 1 11 . 1 1 57 57 PHE N N 57 121.981 121.981 118.292 3.689 25437 6492 1 11 . 1 1 57 57 PHE HA H 57 4.579 4.579 4.547 0.032 25437 6493 1 11 . 1 1 57 57 PHE CA C 57 57.929 57.929 58.563 -0.634 25437 6494 1 11 . 1 1 57 57 PHE CB C 57 39.068 39.068 38.576 0.492 25437 6495 1 11 . 1 1 57 57 PHE H H 57 8.120 8.120 7.675 0.445 25437 6496 1 11 . 1 1 58 58 LEU N N 58 121.621 121.621 121.604 0.017 25437 6497 1 11 . 1 1 58 58 LEU HA H 58 4.174 4.174 4.381 -0.207 25437 6498 1 11 . 1 1 58 58 LEU CA C 58 55.350 55.350 53.662 1.688 25437 6499 1 11 . 1 1 58 58 LEU CB C 58 42.340 42.340 41.049 1.291 25437 6500 1 11 . 1 1 58 58 LEU H H 58 7.806 7.806 6.842 0.964 25437 6501 1 11 . 1 1 59 59 LYS N N 59 120.388 120.388 119.740 0.648 25437 6502 1 11 . 1 1 59 59 LYS HA H 59 4.230 4.230 4.100 0.130 25437 6503 1 11 . 1 1 59 59 LYS CA C 59 55.823 55.823 56.936 -1.113 25437 6504 1 11 . 1 1 59 59 LYS CB C 59 32.616 32.616 31.759 0.857 25437 6505 1 11 . 1 1 59 59 LYS H H 59 8.068 8.068 7.583 0.485 25437 6506 1 11 . 1 1 60 60 ASP N N 60 121.094 121.094 123.847 -2.753 25437 6507 1 11 . 1 1 60 60 ASP HA H 60 4.828 4.828 4.703 0.125 25437 6508 1 11 . 1 1 60 60 ASP CA C 60 53.698 53.698 53.388 0.310 25437 6509 1 11 . 1 1 60 60 ASP CB C 60 41.652 41.652 41.461 0.191 25437 6510 1 11 . 1 1 60 60 ASP H H 60 7.959 7.959 8.180 -0.221 25437 6511 1 11 . 1 1 61 61 PRO HA H 61 4.388 4.388 4.523 -0.135 25437 6512 1 11 . 1 1 61 61 PRO CA C 61 63.263 63.263 63.045 0.218 25437 6513 1 11 . 1 1 61 61 PRO CB C 61 31.697 31.697 30.460 1.237 25437 6514 1 11 . 1 1 62 62 SER N N 62 115.353 115.353 117.098 -1.745 25437 6515 1 11 . 1 1 62 62 SER HA H 62 4.365 4.365 4.538 -0.173 25437 6516 1 11 . 1 1 62 62 SER CA C 62 59.258 59.258 57.321 1.937 25437 6517 1 11 . 1 1 62 62 SER CB C 62 63.634 63.634 64.043 -0.409 25437 6518 1 11 . 1 1 62 62 SER H H 62 8.420 8.420 8.275 0.145 25437 6519 1 11 . 1 1 63 63 LYS N N 63 122.360 122.360 122.116 0.244 25437 6520 1 11 . 1 1 63 63 LYS HA H 63 4.266 4.266 4.185 0.081 25437 6521 1 11 . 1 1 63 63 LYS CA C 63 56.628 56.628 57.868 -1.240 25437 6522 1 11 . 1 1 63 63 LYS CB C 63 29.327 29.327 32.614 -3.287 25437 6523 1 11 . 1 1 63 63 LYS H H 63 8.405 8.405 8.198 0.207 25437 6524 1 11 . 1 1 65 65 LYS N N 65 125.418 125.418 120.112 5.306 25437 6525 1 11 . 1 1 65 65 LYS HA H 65 4.146 4.146 4.590 -0.444 25437 6526 1 11 . 1 1 65 65 LYS CA C 65 63.350 63.350 55.672 7.678 25437 6527 1 11 . 1 1 65 65 LYS CB C 65 31.891 31.891 32.953 -1.062 25437 6528 1 11 . 1 1 65 65 LYS H H 65 8.369 8.369 9.098 -0.729 25437 6529 1 11 . 1 1 66 66 HIS N N 66 121.236 121.236 120.052 1.184 25437 6530 1 11 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.395 0.150 25437 6531 1 11 . 1 1 66 66 HIS CA C 66 59.256 59.256 59.393 -0.137 25437 6532 1 11 . 1 1 66 66 HIS CB C 66 28.619 28.619 29.652 -1.033 25437 6533 1 11 . 1 1 66 66 HIS H H 66 8.758 8.758 8.646 0.112 25437 6534 1 11 . 1 1 67 67 ILE N N 67 120.137 120.137 118.938 1.199 25437 6535 1 11 . 1 1 67 67 ILE HA H 67 4.372 4.372 4.005 0.367 25437 6536 1 11 . 1 1 67 67 ILE CA C 67 63.961 63.961 63.249 0.712 25437 6537 1 11 . 1 1 67 67 ILE CB C 67 37.935 37.935 36.504 1.431 25437 6538 1 11 . 1 1 67 67 ILE H H 67 7.849 7.849 8.362 -0.513 25437 6539 1 11 . 1 1 68 68 THR N N 68 104.067 104.067 108.281 -4.214 25437 6540 1 11 . 1 1 68 68 THR HA H 68 4.397 4.397 4.434 -0.037 25437 6541 1 11 . 1 1 68 68 THR CA C 68 61.343 61.343 61.711 -0.368 25437 6542 1 11 . 1 1 68 68 THR CB C 68 68.473 68.473 69.797 -1.324 25437 6543 1 11 . 1 1 68 68 THR H H 68 7.168 7.168 7.725 -0.557 25437 6544 1 11 . 1 1 69 69 GLY N N 69 107.308 107.308 110.565 -3.257 25437 6545 1 11 . 1 1 69 69 GLY CA C 69 46.665 46.665 46.259 0.406 25437 6546 1 11 . 1 1 69 69 GLY H H 69 7.169 7.169 7.662 -0.493 25437 6547 1 11 . 1 1 70 70 ASP N N 70 114.629 114.629 120.089 -5.460 25437 6548 1 11 . 1 1 70 70 ASP HA H 70 4.734 4.734 4.686 0.048 25437 6549 1 11 . 1 1 70 70 ASP CA C 70 54.627 54.627 54.127 0.500 25437 6550 1 11 . 1 1 70 70 ASP CB C 70 44.451 44.451 40.768 3.683 25437 6551 1 11 . 1 1 70 70 ASP H H 70 7.644 7.644 7.707 -0.063 25437 6552 1 11 . 1 1 71 71 ALA N N 71 118.917 118.917 118.190 0.727 25437 6553 1 11 . 1 1 71 71 ALA HA H 71 5.062 5.062 4.925 0.137 25437 6554 1 11 . 1 1 71 71 ALA CA C 71 51.498 51.498 51.274 0.224 25437 6555 1 11 . 1 1 71 71 ALA CB C 71 21.994 21.994 21.948 0.046 25437 6556 1 11 . 1 1 71 71 ALA H H 71 7.529 7.529 7.366 0.163 25437 6557 1 11 . 1 1 72 72 ILE N N 72 110.818 110.818 113.917 -3.099 25437 6558 1 11 . 1 1 72 72 ILE HA H 72 5.249 5.249 4.627 0.622 25437 6559 1 11 . 1 1 72 72 ILE CA C 72 58.821 58.821 60.328 -1.506 25437 6560 1 11 . 1 1 72 72 ILE CB C 72 43.709 43.709 42.098 1.611 25437 6561 1 11 . 1 1 72 72 ILE H H 72 8.449 8.449 8.887 -0.438 25437 6562 1 11 . 1 1 73 73 ASP N N 73 117.790 117.790 120.888 -3.098 25437 6563 1 11 . 1 1 73 73 ASP HA H 73 6.094 6.094 5.427 0.667 25437 6564 1 11 . 1 1 73 73 ASP CA C 73 52.090 52.090 53.329 -1.239 25437 6565 1 11 . 1 1 73 73 ASP CB C 73 42.655 42.655 45.330 -2.675 25437 6566 1 11 . 1 1 73 73 ASP H H 73 8.442 8.442 8.955 -0.513 25437 6567 1 11 . 1 1 74 74 PHE N N 74 122.479 122.479 120.913 1.566 25437 6568 1 11 . 1 1 74 74 PHE HA H 74 6.173 6.173 5.508 0.665 25437 6569 1 11 . 1 1 74 74 PHE CA C 74 54.775 54.775 55.918 -1.143 25437 6570 1 11 . 1 1 74 74 PHE CB C 74 44.115 44.115 42.562 1.553 25437 6571 1 11 . 1 1 74 74 PHE H H 74 9.463 9.463 8.042 1.421 25437 6572 1 11 . 1 1 75 75 ALA N N 75 118.862 118.862 121.106 -2.244 25437 6573 1 11 . 1 1 75 75 ALA HA H 75 4.453 4.453 4.273 0.180 25437 6574 1 11 . 1 1 75 75 ALA CA C 75 50.134 50.134 48.921 1.213 25437 6575 1 11 . 1 1 75 75 ALA CB C 75 21.020 21.020 21.111 -0.091 25437 6576 1 11 . 1 1 75 75 ALA H H 75 8.575 8.575 9.293 -0.718 25437 6577 1 11 . 1 1 76 76 PRO HA H 76 4.466 4.466 4.780 -0.314 25437 6578 1 11 . 1 1 76 76 PRO CA C 76 62.353 62.353 62.896 -0.543 25437 6579 1 11 . 1 1 76 76 PRO CB C 76 32.135 32.135 31.249 0.886 25437 6580 1 11 . 1 1 77 77 TYR N N 77 126.211 126.211 126.159 0.052 25437 6581 1 11 . 1 1 77 77 TYR HA H 77 4.835 4.835 4.581 0.254 25437 6582 1 11 . 1 1 77 77 TYR CA C 77 56.830 56.830 59.157 -2.327 25437 6583 1 11 . 1 1 77 77 TYR CB C 77 40.384 40.384 40.286 0.098 25437 6584 1 11 . 1 1 77 77 TYR H H 77 8.357 8.357 8.516 -0.159 25437 6585 1 11 . 1 1 78 78 ILE N N 78 124.613 124.613 124.944 -0.331 25437 6586 1 11 . 1 1 78 78 ILE HA H 78 4.210 4.210 4.239 -0.029 25437 6587 1 11 . 1 1 78 78 ILE CA C 78 59.941 59.941 60.682 -0.741 25437 6588 1 11 . 1 1 78 78 ILE CB C 78 40.652 40.652 41.633 -0.981 25437 6589 1 11 . 1 1 78 78 ILE H H 78 8.334 8.334 8.931 -0.597 25437 6590 1 11 . 1 1 79 79 ASN N N 79 126.361 126.361 125.128 1.233 25437 6591 1 11 . 1 1 79 79 ASN HA H 79 4.339 4.339 4.451 -0.112 25437 6592 1 11 . 1 1 79 79 ASN CA C 79 53.937 53.937 53.658 0.279 25437 6593 1 11 . 1 1 79 79 ASN CB C 79 36.887 36.887 37.023 -0.136 25437 6594 1 11 . 1 1 79 79 ASN H H 79 9.444 9.444 9.114 0.330 25437 6595 1 11 . 1 1 80 80 GLY N N 80 102.068 102.068 102.023 0.045 25437 6596 1 11 . 1 1 80 80 GLY CA C 80 45.663 45.663 45.770 -0.107 25437 6597 1 11 . 1 1 80 80 GLY H H 80 8.240 8.240 8.572 -0.332 25437 6598 1 11 . 1 1 81 81 LYS N N 81 117.260 117.260 116.535 0.725 25437 6599 1 11 . 1 1 81 81 LYS HA H 81 4.534 4.534 4.347 0.187 25437 6600 1 11 . 1 1 81 81 LYS CA C 81 54.226 54.226 53.026 1.200 25437 6601 1 11 . 1 1 81 81 LYS CB C 81 35.655 35.655 34.115 1.540 25437 6602 1 11 . 1 1 81 81 LYS H H 81 7.046 7.046 7.438 -0.392 25437 6603 1 11 . 1 1 82 82 ILE N N 82 122.347 122.347 119.731 2.616 25437 6604 1 11 . 1 1 82 82 ILE HA H 82 4.091 4.091 3.428 0.663 25437 6605 1 11 . 1 1 82 82 ILE CA C 82 62.621 62.621 62.393 0.228 25437 6606 1 11 . 1 1 82 82 ILE CB C 82 37.833 37.833 37.866 -0.033 25437 6607 1 11 . 1 1 82 82 ILE H H 82 8.418 8.418 8.175 0.243 25437 6608 1 11 . 1 1 83 83 ASP N N 83 128.498 128.498 126.360 2.138 25437 6609 1 11 . 1 1 83 83 ASP HA H 83 4.808 4.808 4.652 0.156 25437 6610 1 11 . 1 1 83 83 ASP CA C 83 51.619 51.619 52.772 -1.153 25437 6611 1 11 . 1 1 83 83 ASP CB C 83 41.079 41.079 40.433 0.646 25437 6612 1 11 . 1 1 83 83 ASP H H 83 8.028 8.028 8.137 -0.109 25437 6613 1 11 . 1 1 84 84 TRP N N 84 121.807 121.807 124.635 -2.828 25437 6614 1 11 . 1 1 84 84 TRP HA H 84 4.574 4.574 4.605 -0.031 25437 6615 1 11 . 1 1 84 84 TRP CA C 84 58.456 58.456 57.756 0.700 25437 6616 1 11 . 1 1 84 84 TRP CB C 84 30.177 30.177 30.828 -0.651 25437 6617 1 11 . 1 1 84 84 TRP H H 84 8.081 8.081 8.282 -0.201 25437 6618 1 11 . 1 1 85 85 ASN N N 85 113.227 113.227 116.862 -3.635 25437 6619 1 11 . 1 1 85 85 ASN HA H 85 4.975 4.975 4.758 0.217 25437 6620 1 11 . 1 1 85 85 ASN CA C 85 53.430 53.430 54.666 -1.236 25437 6621 1 11 . 1 1 85 85 ASN CB C 85 40.162 40.162 39.897 0.265 25437 6622 1 11 . 1 1 85 85 ASN H H 85 8.386 8.386 8.076 0.310 25437 6623 1 11 . 1 1 86 86 ASP N N 86 118.821 118.821 122.126 -3.305 25437 6624 1 11 . 1 1 86 86 ASP HA H 86 4.813 4.813 4.738 0.075 25437 6625 1 11 . 1 1 86 86 ASP CA C 86 52.255 52.255 54.068 -1.813 25437 6626 1 11 . 1 1 86 86 ASP CB C 86 37.613 37.613 40.657 -3.044 25437 6627 1 11 . 1 1 86 86 ASP H H 86 7.405 7.405 8.244 -0.839 25437 6628 1 11 . 1 1 87 87 LEU N N 87 127.177 127.177 126.174 1.003 25437 6629 1 11 . 1 1 87 87 LEU HA H 87 4.055 4.055 4.206 -0.151 25437 6630 1 11 . 1 1 87 87 LEU CA C 87 58.321 58.321 57.184 1.137 25437 6631 1 11 . 1 1 87 87 LEU CB C 87 40.887 40.887 42.349 -1.462 25437 6632 1 11 . 1 1 87 87 LEU H H 87 8.274 8.274 8.014 0.260 25437 6633 1 11 . 1 1 88 88 GLU N N 88 114.132 114.132 119.760 -5.628 25437 6634 1 11 . 1 1 88 88 GLU HA H 88 3.938 3.938 3.947 -0.009 25437 6635 1 11 . 1 1 88 88 GLU CA C 88 59.437 59.437 59.780 -0.343 25437 6636 1 11 . 1 1 88 88 GLU CB C 88 27.987 27.987 29.491 -1.504 25437 6637 1 11 . 1 1 88 88 GLU H H 88 8.257 8.257 8.293 -0.036 25437 6638 1 11 . 1 1 89 89 ALA N N 89 122.075 122.075 120.876 1.199 25437 6639 1 11 . 1 1 89 89 ALA HA H 89 3.799 3.799 4.398 -0.599 25437 6640 1 11 . 1 1 89 89 ALA CA C 89 54.703 54.703 55.011 -0.308 25437 6641 1 11 . 1 1 89 89 ALA CB C 89 17.635 17.635 18.190 -0.555 25437 6642 1 11 . 1 1 89 89 ALA H H 89 7.418 7.418 7.698 -0.280 25437 6643 1 11 . 1 1 90 90 PHE N N 90 116.551 116.551 119.016 -2.465 25437 6644 1 11 . 1 1 90 90 PHE HA H 90 4.025 4.025 4.285 -0.260 25437 6645 1 11 . 1 1 90 90 PHE CA C 90 64.150 64.150 59.638 4.513 25437 6646 1 11 . 1 1 90 90 PHE CB C 90 38.965 38.965 38.601 0.364 25437 6647 1 11 . 1 1 90 90 PHE H H 90 7.777 7.777 7.835 -0.058 25437 6648 1 11 . 1 1 91 91 TRP N N 91 119.390 119.390 121.101 -1.711 25437 6649 1 11 . 1 1 91 91 TRP HA H 91 4.578 4.578 4.048 0.530 25437 6650 1 11 . 1 1 91 91 TRP CA C 91 59.217 59.217 61.318 -2.101 25437 6651 1 11 . 1 1 91 91 TRP CB C 91 29.802 29.802 29.704 0.098 25437 6652 1 11 . 1 1 91 91 TRP H H 91 7.821 7.821 7.821 -0.000 25437 6653 1 11 . 1 1 92 92 ALA N N 92 121.275 121.275 122.369 -1.094 25437 6654 1 11 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.043 0.081 25437 6655 1 11 . 1 1 92 92 ALA CA C 92 55.229 55.229 54.893 0.336 25437 6656 1 11 . 1 1 92 92 ALA CB C 92 18.870 18.870 18.338 0.532 25437 6657 1 11 . 1 1 92 92 ALA H H 92 8.242 8.242 7.710 0.532 25437 6658 1 11 . 1 1 93 93 VAL N N 93 120.454 120.454 118.681 1.773 25437 6659 1 11 . 1 1 93 93 VAL HA H 93 3.600 3.600 3.551 0.049 25437 6660 1 11 . 1 1 93 93 VAL CA C 93 66.424 66.424 66.660 -0.236 25437 6661 1 11 . 1 1 93 93 VAL CB C 93 30.676 30.676 31.867 -1.191 25437 6662 1 11 . 1 1 93 93 VAL H H 93 8.259 8.259 8.433 -0.174 25437 6663 1 11 . 1 1 94 94 LYS N N 94 122.098 122.098 119.413 2.685 25437 6664 1 11 . 1 1 94 94 LYS HA H 94 3.690 3.690 3.826 -0.136 25437 6665 1 11 . 1 1 94 94 LYS CA C 94 60.959 60.959 59.104 1.855 25437 6666 1 11 . 1 1 94 94 LYS CB C 94 31.484 31.484 31.291 0.193 25437 6667 1 11 . 1 1 94 94 LYS H H 94 8.382 8.382 7.689 0.693 25437 6668 1 11 . 1 1 95 95 LYS N N 95 118.030 118.030 118.318 -0.288 25437 6669 1 11 . 1 1 95 95 LYS HA H 95 3.958 3.958 3.843 0.115 25437 6670 1 11 . 1 1 95 95 LYS CA C 95 59.212 59.212 58.744 0.468 25437 6671 1 11 . 1 1 95 95 LYS CB C 95 31.219 31.219 31.822 -0.603 25437 6672 1 11 . 1 1 95 95 LYS H H 95 7.957 7.957 7.273 0.684 25437 6673 1 11 . 1 1 96 96 ALA N N 96 124.359 124.359 120.642 3.717 25437 6674 1 11 . 1 1 96 96 ALA HA H 96 4.229 4.229 4.099 0.130 25437 6675 1 11 . 1 1 96 96 ALA CA C 96 55.422 55.422 54.693 0.729 25437 6676 1 11 . 1 1 96 96 ALA CB C 96 17.148 17.148 18.236 -1.088 25437 6677 1 11 . 1 1 96 96 ALA H H 96 7.668 7.668 7.776 -0.108 25437 6678 1 11 . 1 1 97 97 PHE N N 97 117.446 117.446 119.079 -1.633 25437 6679 1 11 . 1 1 97 97 PHE HA H 97 3.883 3.883 4.128 -0.245 25437 6680 1 11 . 1 1 97 97 PHE CA C 97 63.187 63.187 62.063 1.124 25437 6681 1 11 . 1 1 97 97 PHE CB C 97 40.401 40.401 39.327 1.074 25437 6682 1 11 . 1 1 97 97 PHE H H 97 8.369 8.369 8.131 0.238 25437 6683 1 11 . 1 1 98 98 GLU N N 98 119.148 119.148 118.216 0.932 25437 6684 1 11 . 1 1 98 98 GLU HA H 98 4.140 4.140 3.997 0.143 25437 6685 1 11 . 1 1 98 98 GLU CA C 98 59.610 59.610 58.698 0.912 25437 6686 1 11 . 1 1 98 98 GLU CB C 98 29.444 29.444 29.121 0.323 25437 6687 1 11 . 1 1 98 98 GLU H H 98 8.821 8.821 7.930 0.891 25437 6688 1 11 . 1 1 99 99 GLN N N 99 120.727 120.727 118.311 2.416 25437 6689 1 11 . 1 1 99 99 GLN HA H 99 4.061 4.061 4.157 -0.096 25437 6690 1 11 . 1 1 99 99 GLN CA C 99 59.130 59.130 57.980 1.150 25437 6691 1 11 . 1 1 99 99 GLN CB C 99 27.524 27.524 28.730 -1.206 25437 6692 1 11 . 1 1 99 99 GLN H H 99 8.436 8.436 7.739 0.697 25437 6693 1 11 . 1 1 100 100 ALA N N 100 122.603 122.603 122.020 0.583 25437 6694 1 11 . 1 1 100 100 ALA HA H 100 3.886 3.886 4.071 -0.185 25437 6695 1 11 . 1 1 100 100 ALA CA C 100 55.399 55.399 54.839 0.560 25437 6696 1 11 . 1 1 100 100 ALA CB C 100 19.472 19.472 18.205 1.267 25437 6697 1 11 . 1 1 100 100 ALA H H 100 8.433 8.433 8.355 0.078 25437 6698 1 11 . 1 1 101 101 GLY N N 101 104.253 104.253 104.959 -0.706 25437 6699 1 11 . 1 1 101 101 GLY CA C 101 47.843 47.843 46.448 1.395 25437 6700 1 11 . 1 1 101 101 GLY H H 101 9.035 9.035 7.937 1.098 25437 6701 1 11 . 1 1 102 102 LYS N N 102 121.912 121.912 122.392 -0.480 25437 6702 1 11 . 1 1 102 102 LYS HA H 102 4.116 4.116 4.098 0.018 25437 6703 1 11 . 1 1 102 102 LYS CA C 102 59.314 59.314 58.949 0.365 25437 6704 1 11 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.267 -0.088 25437 6705 1 11 . 1 1 102 102 LYS H H 102 7.928 7.928 7.421 0.507 25437 6706 1 11 . 1 1 103 103 GLU N N 103 119.382 119.382 118.494 0.888 25437 6707 1 11 . 1 1 103 103 GLU HA H 103 3.989 3.989 4.178 -0.189 25437 6708 1 11 . 1 1 103 103 GLU CA C 103 59.093 59.093 58.420 0.673 25437 6709 1 11 . 1 1 103 103 GLU CB C 103 30.127 30.127 29.399 0.728 25437 6710 1 11 . 1 1 103 103 GLU H H 103 8.406 8.406 7.615 0.791 25437 6711 1 11 . 1 1 104 104 LEU N N 104 115.551 115.551 118.026 -2.475 25437 6712 1 11 . 1 1 104 104 LEU HA H 104 4.360 4.360 4.149 0.211 25437 6713 1 11 . 1 1 104 104 LEU CA C 104 55.185 55.185 55.657 -0.472 25437 6714 1 11 . 1 1 104 104 LEU CB C 104 43.105 43.105 42.259 0.846 25437 6715 1 11 . 1 1 104 104 LEU H H 104 7.999 7.999 8.146 -0.147 25437 6716 1 11 . 1 1 105 105 GLY N N 105 110.561 110.561 104.757 5.804 25437 6717 1 11 . 1 1 105 105 GLY CA C 105 46.480 46.480 45.236 1.244 25437 6718 1 11 . 1 1 105 105 GLY H H 105 7.898 7.898 7.573 0.325 25437 6719 1 11 . 1 1 106 106 ILE N N 106 121.745 121.745 122.647 -0.902 25437 6720 1 11 . 1 1 106 106 ILE HA H 106 4.227 4.227 3.927 0.300 25437 6721 1 11 . 1 1 106 106 ILE CA C 106 59.717 59.717 61.468 -1.751 25437 6722 1 11 . 1 1 106 106 ILE CB C 106 41.096 41.096 38.461 2.635 25437 6723 1 11 . 1 1 106 106 ILE H H 106 8.428 8.428 7.742 0.686 25437 6724 1 11 . 1 1 107 107 LYS N N 107 127.736 127.736 127.518 0.218 25437 6725 1 11 . 1 1 107 107 LYS HA H 107 4.275 4.275 4.126 0.149 25437 6726 1 11 . 1 1 107 107 LYS CA C 107 57.224 57.224 57.330 -0.106 25437 6727 1 11 . 1 1 107 107 LYS CB C 107 32.752 32.752 32.723 0.029 25437 6728 1 11 . 1 1 107 107 LYS H H 107 8.489 8.489 8.533 -0.044 25437 6729 1 11 . 1 1 108 108 LEU N N 108 122.881 122.881 124.454 -1.573 25437 6730 1 11 . 1 1 108 108 LEU HA H 108 5.235 5.235 4.771 0.464 25437 6731 1 11 . 1 1 108 108 LEU CA C 108 53.287 53.287 54.381 -1.094 25437 6732 1 11 . 1 1 108 108 LEU CB C 108 47.016 47.016 44.469 2.547 25437 6733 1 11 . 1 1 108 108 LEU H H 108 8.049 8.049 8.335 -0.286 25437 6734 1 11 . 1 1 109 109 ARG N N 109 120.726 120.726 124.183 -3.457 25437 6735 1 11 . 1 1 109 109 ARG HA H 109 4.438 4.438 4.051 0.387 25437 6736 1 11 . 1 1 109 109 ARG CA C 109 55.193 55.193 55.242 -0.049 25437 6737 1 11 . 1 1 109 109 ARG CB C 109 33.519 33.519 34.259 -0.740 25437 6738 1 11 . 1 1 109 109 ARG H H 109 8.736 8.736 7.689 1.047 25437 6739 1 11 . 1 1 110 110 PHE N N 110 121.516 121.516 122.257 -0.741 25437 6740 1 11 . 1 1 110 110 PHE HA H 110 5.303 5.303 4.876 0.427 25437 6741 1 11 . 1 1 110 110 PHE CA C 110 56.644 56.644 55.900 0.744 25437 6742 1 11 . 1 1 110 110 PHE CB C 110 40.602 40.602 38.629 1.973 25437 6743 1 11 . 1 1 110 110 PHE H H 110 8.707 8.707 8.292 0.415 25437 6744 1 11 . 1 1 111 111 GLY N N 111 108.992 108.992 111.722 -2.730 25437 6745 1 11 . 1 1 111 111 GLY CA C 111 45.604 45.604 44.850 0.754 25437 6746 1 11 . 1 1 111 111 GLY H H 111 7.819 7.819 7.994 -0.175 25437 6747 1 11 . 1 1 112 112 ALA N N 112 111.448 111.448 124.729 -13.281 25437 6748 1 11 . 1 1 112 112 ALA HA H 112 3.858 3.858 4.520 -0.662 25437 6749 1 11 . 1 1 112 112 ALA CA C 112 52.083 52.083 53.124 -1.041 25437 6750 1 11 . 1 1 112 112 ALA CB C 112 18.655 18.655 19.530 -0.875 25437 6751 1 11 . 1 1 112 112 ALA H H 112 7.945 7.945 8.821 -0.876 25437 6752 1 11 . 1 1 113 113 ASP N N 113 106.770 106.770 117.561 -10.791 25437 6753 1 11 . 1 1 113 113 ASP HA H 113 5.157 5.157 4.663 0.494 25437 6754 1 11 . 1 1 113 113 ASP CA C 113 52.285 52.285 54.806 -2.521 25437 6755 1 11 . 1 1 113 113 ASP CB C 113 41.465 41.465 40.877 0.588 25437 6756 1 11 . 1 1 113 113 ASP H H 113 7.000 7.000 8.469 -1.469 25437 6757 1 11 . 1 1 114 114 TRP N N 114 119.829 119.829 120.279 -0.450 25437 6758 1 11 . 1 1 114 114 TRP HA H 114 4.184 4.184 4.380 -0.196 25437 6759 1 11 . 1 1 114 114 TRP CA C 114 61.455 61.455 60.841 0.614 25437 6760 1 11 . 1 1 114 114 TRP CB C 114 26.427 26.427 29.270 -2.843 25437 6761 1 11 . 1 1 114 114 TRP H H 114 7.589 7.589 8.415 -0.826 25437 6762 1 11 . 1 1 115 115 ASN N N 115 117.900 117.900 115.111 2.789 25437 6763 1 11 . 1 1 115 115 ASN HA H 115 4.548 4.548 4.889 -0.341 25437 6764 1 11 . 1 1 115 115 ASN CA C 115 55.955 55.955 55.092 0.863 25437 6765 1 11 . 1 1 115 115 ASN CB C 115 36.818 36.818 37.620 -0.802 25437 6766 1 11 . 1 1 115 115 ASN H H 115 9.503 9.503 8.213 1.290 25437 6767 1 11 . 1 1 116 116 ALA N N 116 123.758 123.758 122.565 1.193 25437 6768 1 11 . 1 1 116 116 ALA HA H 116 4.181 4.181 4.169 0.012 25437 6769 1 11 . 1 1 116 116 ALA CA C 116 53.111 53.111 54.289 -1.178 25437 6770 1 11 . 1 1 116 116 ALA CB C 116 16.596 16.596 18.266 -1.670 25437 6771 1 11 . 1 1 116 116 ALA H H 116 8.079 8.079 7.826 0.253 25437 6772 1 11 . 1 1 117 117 SER N N 117 116.009 116.009 113.632 2.377 25437 6773 1 11 . 1 1 117 117 SER HA H 117 4.417 4.417 4.420 -0.003 25437 6774 1 11 . 1 1 117 117 SER CA C 117 59.433 59.433 58.558 0.875 25437 6775 1 11 . 1 1 117 117 SER CB C 117 65.026 65.026 64.148 0.878 25437 6776 1 11 . 1 1 117 117 SER H H 117 9.460 9.460 7.779 1.681 25437 6777 1 11 . 1 1 118 118 GLY N N 118 115.031 115.031 110.185 4.846 25437 6778 1 11 . 1 1 118 118 GLY CA C 118 45.197 45.197 45.006 0.191 25437 6779 1 11 . 1 1 118 118 GLY H H 118 10.733 10.733 7.898 2.835 25437 6780 1 11 . 1 1 119 119 ASP N N 119 116.435 116.435 119.996 -3.561 25437 6781 1 11 . 1 1 119 119 ASP HA H 119 4.590 4.590 4.935 -0.345 25437 6782 1 11 . 1 1 119 119 ASP CA C 119 53.181 53.181 52.200 0.981 25437 6783 1 11 . 1 1 119 119 ASP CB C 119 43.864 43.864 42.698 1.166 25437 6784 1 11 . 1 1 119 119 ASP H H 119 7.770 7.770 8.057 -0.287 25437 6785 1 11 . 1 1 120 120 TYR N N 120 120.253 120.253 118.502 1.751 25437 6786 1 11 . 1 1 120 120 TYR HA H 120 6.088 6.088 4.440 1.648 25437 6787 1 11 . 1 1 120 120 TYR CA C 120 56.003 56.003 57.429 -1.426 25437 6788 1 11 . 1 1 120 120 TYR CB C 120 40.371 40.371 37.959 2.412 25437 6789 1 11 . 1 1 120 120 TYR H H 120 6.801 6.801 8.841 -2.040 25437 6790 1 11 . 1 1 121 121 HIS HA H 121 4.537 4.537 4.251 0.286 25437 6791 1 11 . 1 1 121 121 HIS CA C 121 59.002 59.002 58.652 0.350 25437 6792 1 11 . 1 1 121 121 HIS CB C 121 27.950 27.950 29.578 -1.628 25437 6793 1 11 . 1 1 122 122 ASP N N 122 111.622 111.622 117.317 -5.695 25437 6794 1 11 . 1 1 122 122 ASP HA H 122 4.815 4.815 4.407 0.408 25437 6795 1 11 . 1 1 122 122 ASP CA C 122 51.612 51.612 55.541 -3.929 25437 6796 1 11 . 1 1 122 122 ASP CB C 122 36.980 36.980 40.032 -3.051 25437 6797 1 11 . 1 1 122 122 ASP H H 122 8.154 8.154 8.345 -0.191 25437 6798 1 11 . 1 1 124 124 ILE N N 124 119.763 119.763 113.880 5.883 25437 6799 1 11 . 1 1 124 124 ILE HA H 124 3.843 3.843 3.896 -0.053 25437 6800 1 11 . 1 1 124 124 ILE CA C 124 64.714 64.714 63.788 0.926 25437 6801 1 11 . 1 1 124 124 ILE CB C 124 36.859 36.859 37.623 -0.764 25437 6802 1 11 . 1 1 124 124 ILE H H 124 7.639 7.639 8.223 -0.584 25437 6803 1 11 . 1 1 125 125 LYS N N 125 121.010 121.010 116.990 4.020 25437 6804 1 11 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.094 0.015 25437 6805 1 11 . 1 1 125 125 LYS CA C 125 59.241 59.241 58.415 0.826 25437 6806 1 11 . 1 1 125 125 LYS CB C 125 31.985 31.985 32.227 -0.242 25437 6807 1 11 . 1 1 125 125 LYS H H 125 7.739 7.739 7.968 -0.229 25437 6808 1 11 . 1 1 126 126 ARG N N 126 115.276 115.276 117.140 -1.864 25437 6809 1 11 . 1 1 126 126 ARG HA H 126 4.338 4.338 4.472 -0.134 25437 6810 1 11 . 1 1 126 126 ARG CA C 126 57.189 57.189 55.578 1.611 25437 6811 1 11 . 1 1 126 126 ARG CB C 126 31.015 31.015 31.113 -0.098 25437 6812 1 11 . 1 1 126 126 ARG H H 126 7.904 7.904 7.958 -0.054 25437 6813 1 11 . 1 1 127 127 GLY N N 127 107.767 107.767 109.840 -2.073 25437 6814 1 11 . 1 1 127 127 GLY CA C 127 45.822 45.822 45.728 0.094 25437 6815 1 11 . 1 1 127 127 GLY H H 127 7.912 7.912 8.332 -0.420 25437 6816 1 11 . 1 1 128 128 THR N N 128 107.570 107.570 113.042 -5.472 25437 6817 1 11 . 1 1 128 128 THR HA H 128 4.252 4.252 4.661 -0.409 25437 6818 1 11 . 1 1 128 128 THR CA C 128 60.620 60.620 59.113 1.507 25437 6819 1 11 . 1 1 128 128 THR CB C 128 69.224 69.224 70.671 -1.447 25437 6820 1 11 . 1 1 128 128 THR H H 128 8.121 8.121 7.474 0.647 25437 6821 1 11 . 1 1 129 129 TYR N N 129 123.143 123.143 123.771 -0.628 25437 6822 1 11 . 1 1 129 129 TYR HA H 129 4.173 4.173 4.617 -0.444 25437 6823 1 11 . 1 1 129 129 TYR CA C 129 61.448 61.448 57.365 4.083 25437 6824 1 11 . 1 1 129 129 TYR CB C 129 38.796 38.796 38.805 -0.009 25437 6825 1 11 . 1 1 129 129 TYR H H 129 7.209 7.209 8.796 -1.587 25437 6826 1 11 . 1 1 130 130 ASP N N 130 117.930 117.930 119.928 -1.998 25437 6827 1 11 . 1 1 130 130 ASP HA H 130 4.641 4.641 4.396 0.245 25437 6828 1 11 . 1 1 130 130 ASP CA C 130 53.440 53.440 56.104 -2.664 25437 6829 1 11 . 1 1 130 130 ASP CB C 130 43.221 43.221 40.020 3.201 25437 6830 1 11 . 1 1 130 130 ASP H H 130 8.216 8.216 8.283 -0.067 25437 6831 1 11 . 1 1 132 132 GLY N N 132 107.481 107.481 108.925 -1.444 25437 6832 1 11 . 1 1 132 132 GLY CA C 132 44.013 44.013 45.137 -1.124 25437 6833 1 11 . 1 1 132 132 GLY H H 132 8.304 8.304 7.599 0.705 25437 6834 1 11 . 1 1 133 133 HIS N N 133 117.609 117.609 121.525 -3.916 25437 6835 1 11 . 1 1 133 133 HIS HA H 133 5.430 5.430 4.456 0.974 25437 6836 1 11 . 1 1 133 133 HIS CA C 133 57.155 57.155 56.903 0.252 25437 6837 1 11 . 1 1 133 133 HIS CB C 133 31.667 31.667 29.923 1.744 25437 6838 1 11 . 1 1 133 133 HIS H H 133 6.942 6.942 7.184 -0.242 25437 6839 1 11 . 1 1 134 134 VAL N N 134 133.201 133.201 120.901 12.300 25437 6840 1 11 . 1 1 134 134 VAL HA H 134 4.254 4.254 4.700 -0.446 25437 6841 1 11 . 1 1 134 134 VAL CA C 134 61.676 61.676 59.922 1.754 25437 6842 1 11 . 1 1 134 134 VAL CB C 134 34.775 34.775 33.843 0.933 25437 6843 1 11 . 1 1 134 134 VAL H H 134 9.127 9.127 8.132 0.996 25437 6844 1 11 . 1 1 135 135 GLU N N 135 119.904 119.904 124.175 -4.271 25437 6845 1 11 . 1 1 135 135 GLU HA H 135 5.458 5.458 5.002 0.456 25437 6846 1 11 . 1 1 135 135 GLU CA C 135 52.126 52.126 53.435 -1.309 25437 6847 1 11 . 1 1 135 135 GLU CB C 135 34.550 34.550 33.948 0.602 25437 6848 1 11 . 1 1 135 135 GLU H H 135 8.501 8.501 7.884 0.617 25437 6849 1 11 . 1 1 136 136 LEU N N 136 119.357 119.357 123.297 -3.940 25437 6850 1 11 . 1 1 136 136 LEU HA H 136 4.432 4.432 4.373 0.059 25437 6851 1 11 . 1 1 136 136 LEU CA C 136 54.772 54.772 54.919 -0.147 25437 6852 1 11 . 1 1 136 136 LEU CB C 136 42.524 42.524 42.330 0.194 25437 6853 1 11 . 1 1 136 136 LEU H H 136 8.280 8.280 8.455 -0.175 25437 6854 1 12 . 1 1 3 3 PHE N N 3 121.785 121.785 119.948 1.837 25437 6855 1 12 . 1 1 3 3 PHE HA H 3 4.792 4.792 4.263 0.529 25437 6856 1 12 . 1 1 3 3 PHE CA C 3 56.407 56.407 58.288 -1.881 25437 6857 1 12 . 1 1 3 3 PHE CB C 3 40.111 40.111 40.249 -0.138 25437 6858 1 12 . 1 1 3 3 PHE H H 3 8.534 8.534 8.046 0.487 25437 6859 1 12 . 1 1 4 4 LYS N N 4 119.409 119.409 121.065 -1.656 25437 6860 1 12 . 1 1 4 4 LYS HA H 4 4.452 4.452 4.035 0.417 25437 6861 1 12 . 1 1 4 4 LYS CA C 4 54.774 54.774 54.138 0.636 25437 6862 1 12 . 1 1 4 4 LYS CB C 4 35.710 35.710 35.303 0.407 25437 6863 1 12 . 1 1 4 4 LYS H H 4 8.367 8.367 7.047 1.320 25437 6864 1 12 . 1 1 5 5 PHE N N 5 124.495 124.495 120.335 4.160 25437 6865 1 12 . 1 1 5 5 PHE HA H 5 4.873 4.873 4.508 0.365 25437 6866 1 12 . 1 1 5 5 PHE CA C 5 58.636 58.636 57.744 0.892 25437 6867 1 12 . 1 1 5 5 PHE CB C 5 39.217 39.217 38.940 0.277 25437 6868 1 12 . 1 1 5 5 PHE H H 5 8.603 8.603 7.668 0.935 25437 6869 1 12 . 1 1 6 6 GLY N N 6 108.622 108.622 108.902 -0.280 25437 6870 1 12 . 1 1 6 6 GLY CA C 6 43.819 43.819 44.379 -0.560 25437 6871 1 12 . 1 1 6 6 GLY H H 6 8.559 8.559 8.262 0.297 25437 6872 1 12 . 1 1 7 7 LYS N N 7 119.341 119.341 119.171 0.170 25437 6873 1 12 . 1 1 7 7 LYS HA H 7 3.958 3.958 3.957 0.001 25437 6874 1 12 . 1 1 7 7 LYS CA C 7 60.087 60.087 59.304 0.783 25437 6875 1 12 . 1 1 7 7 LYS CB C 7 32.399 32.399 32.399 -0.000 25437 6876 1 12 . 1 1 7 7 LYS H H 7 8.692 8.692 8.597 0.095 25437 6877 1 12 . 1 1 8 8 ASN N N 8 118.555 118.555 118.141 0.414 25437 6878 1 12 . 1 1 8 8 ASN HA H 8 4.551 4.551 4.607 -0.056 25437 6879 1 12 . 1 1 8 8 ASN CA C 8 56.776 56.776 55.709 1.067 25437 6880 1 12 . 1 1 8 8 ASN CB C 8 36.961 36.961 37.724 -0.763 25437 6881 1 12 . 1 1 8 8 ASN H H 8 9.185 9.185 8.468 0.717 25437 6882 1 12 . 1 1 9 9 SER N N 9 118.632 118.632 117.996 0.636 25437 6883 1 12 . 1 1 9 9 SER HA H 9 4.283 4.283 4.312 -0.029 25437 6884 1 12 . 1 1 9 9 SER CA C 9 62.790 62.790 61.374 1.416 25437 6885 1 12 . 1 1 9 9 SER CB C 9 62.790 62.790 62.706 0.084 25437 6886 1 12 . 1 1 9 9 SER H H 9 8.076 8.076 7.997 0.079 25437 6887 1 12 . 1 1 10 10 GLU N N 10 120.882 120.882 120.142 0.740 25437 6888 1 12 . 1 1 10 10 GLU HA H 10 3.977 3.977 4.051 -0.074 25437 6889 1 12 . 1 1 10 10 GLU CA C 10 59.409 59.409 59.753 -0.344 25437 6890 1 12 . 1 1 10 10 GLU CB C 10 28.556 28.556 29.585 -1.029 25437 6891 1 12 . 1 1 10 10 GLU H H 10 8.351 8.351 8.160 0.191 25437 6892 1 12 . 1 1 11 11 LYS N N 11 120.030 120.030 118.744 1.286 25437 6893 1 12 . 1 1 11 11 LYS HA H 11 4.056 4.056 4.123 -0.067 25437 6894 1 12 . 1 1 11 11 LYS CA C 11 59.477 59.477 58.878 0.599 25437 6895 1 12 . 1 1 11 11 LYS CB C 11 32.032 32.032 32.199 -0.167 25437 6896 1 12 . 1 1 11 11 LYS H H 11 7.937 7.937 7.420 0.517 25437 6897 1 12 . 1 1 12 12 GLN N N 12 114.749 114.749 119.602 -4.853 25437 6898 1 12 . 1 1 12 12 GLN HA H 12 4.147 4.147 4.117 0.030 25437 6899 1 12 . 1 1 12 12 GLN CA C 12 57.373 57.373 58.805 -1.432 25437 6900 1 12 . 1 1 12 12 GLN CB C 12 28.511 28.511 28.681 -0.170 25437 6901 1 12 . 1 1 12 12 GLN H H 12 7.562 7.562 8.048 -0.486 25437 6902 1 12 . 1 1 13 13 LEU N N 13 121.751 121.751 118.101 3.650 25437 6903 1 12 . 1 1 13 13 LEU HA H 13 3.880 3.880 4.285 -0.405 25437 6904 1 12 . 1 1 13 13 LEU CA C 13 57.080 57.080 56.376 0.704 25437 6905 1 12 . 1 1 13 13 LEU CB C 13 42.413 42.413 40.784 1.629 25437 6906 1 12 . 1 1 13 13 LEU H H 13 8.725 8.725 8.119 0.606 25437 6907 1 12 . 1 1 14 14 ALA N N 14 116.323 116.323 120.395 -4.072 25437 6908 1 12 . 1 1 14 14 ALA HA H 14 4.070 4.070 4.291 -0.221 25437 6909 1 12 . 1 1 14 14 ALA CA C 14 53.706 53.706 54.174 -0.468 25437 6910 1 12 . 1 1 14 14 ALA CB C 14 18.020 18.020 18.971 -0.951 25437 6911 1 12 . 1 1 14 14 ALA H H 14 7.574 7.574 7.600 -0.026 25437 6912 1 12 . 1 1 15 15 THR N N 15 104.034 104.034 109.543 -5.509 25437 6913 1 12 . 1 1 15 15 THR HA H 15 4.431 4.431 4.368 0.063 25437 6914 1 12 . 1 1 15 15 THR CA C 15 62.381 62.381 61.699 0.682 25437 6915 1 12 . 1 1 15 15 THR CB C 15 70.327 70.327 69.513 0.814 25437 6916 1 12 . 1 1 15 15 THR H H 15 7.326 7.326 7.412 -0.086 25437 6917 1 12 . 1 1 16 16 VAL N N 16 112.438 112.438 122.597 -10.159 25437 6918 1 12 . 1 1 16 16 VAL HA H 16 4.922 4.922 3.907 1.015 25437 6919 1 12 . 1 1 16 16 VAL CA C 16 59.661 59.661 63.014 -3.353 25437 6920 1 12 . 1 1 16 16 VAL CB C 16 32.989 32.989 32.870 0.118 25437 6921 1 12 . 1 1 16 16 VAL H H 16 7.164 7.164 7.345 -0.181 25437 6922 1 12 . 1 1 17 17 LYS N N 17 120.729 120.729 128.528 -7.799 25437 6923 1 12 . 1 1 17 17 LYS HA H 17 4.230 4.230 4.361 -0.131 25437 6924 1 12 . 1 1 17 17 LYS CA C 17 55.486 55.486 58.352 -2.866 25437 6925 1 12 . 1 1 17 17 LYS CB C 17 32.079 32.079 31.198 0.881 25437 6926 1 12 . 1 1 17 17 LYS H H 17 8.907 8.907 8.735 0.172 25437 6927 1 12 . 1 1 18 18 PRO HA H 18 4.130 4.130 4.476 -0.346 25437 6928 1 12 . 1 1 18 18 PRO CA C 18 65.813 65.813 63.062 2.751 25437 6929 1 12 . 1 1 18 18 PRO CB C 18 31.864 31.864 32.033 -0.169 25437 6930 1 12 . 1 1 19 19 GLU N N 19 117.608 117.608 117.165 0.443 25437 6931 1 12 . 1 1 19 19 GLU HA H 19 4.011 4.011 4.489 -0.478 25437 6932 1 12 . 1 1 19 19 GLU CA C 19 61.031 61.031 56.587 4.444 25437 6933 1 12 . 1 1 19 19 GLU CB C 19 29.117 29.117 29.350 -0.233 25437 6934 1 12 . 1 1 19 19 GLU H H 19 9.714 9.714 8.723 0.991 25437 6935 1 12 . 1 1 20 20 LEU N N 20 117.938 117.938 118.823 -0.885 25437 6936 1 12 . 1 1 20 20 LEU HA H 20 4.258 4.258 3.977 0.281 25437 6937 1 12 . 1 1 20 20 LEU CA C 20 56.261 56.261 58.240 -1.979 25437 6938 1 12 . 1 1 20 20 LEU CB C 20 41.894 41.894 40.756 1.138 25437 6939 1 12 . 1 1 20 20 LEU H H 20 7.188 7.188 7.901 -0.713 25437 6940 1 12 . 1 1 21 21 GLN N N 21 118.367 118.367 117.959 0.408 25437 6941 1 12 . 1 1 21 21 GLN HA H 21 3.831 3.831 3.990 -0.159 25437 6942 1 12 . 1 1 21 21 GLN CA C 21 60.100 60.100 58.548 1.552 25437 6943 1 12 . 1 1 21 21 GLN CB C 21 27.745 27.745 27.779 -0.034 25437 6944 1 12 . 1 1 21 21 GLN H H 21 7.805 7.805 8.518 -0.713 25437 6945 1 12 . 1 1 22 22 LYS N N 22 116.715 116.715 120.409 -3.694 25437 6946 1 12 . 1 1 22 22 LYS HA H 22 3.962 3.962 3.998 -0.036 25437 6947 1 12 . 1 1 22 22 LYS CA C 22 59.816 59.816 59.603 0.213 25437 6948 1 12 . 1 1 22 22 LYS CB C 22 32.520 32.520 32.008 0.513 25437 6949 1 12 . 1 1 22 22 LYS H H 22 8.143 8.143 8.142 0.001 25437 6950 1 12 . 1 1 23 23 VAL N N 23 118.397 118.397 119.339 -0.942 25437 6951 1 12 . 1 1 23 23 VAL HA H 23 3.591 3.591 3.606 -0.015 25437 6952 1 12 . 1 1 23 23 VAL CA C 23 66.313 66.313 65.394 0.920 25437 6953 1 12 . 1 1 23 23 VAL CB C 23 31.529 31.529 31.485 0.044 25437 6954 1 12 . 1 1 23 23 VAL H H 23 7.715 7.715 7.575 0.140 25437 6955 1 12 . 1 1 24 24 ALA N N 24 121.929 121.929 122.220 -0.291 25437 6956 1 12 . 1 1 24 24 ALA HA H 24 4.024 4.024 3.476 0.548 25437 6957 1 12 . 1 1 24 24 ALA CA C 24 55.444 55.444 55.319 0.125 25437 6958 1 12 . 1 1 24 24 ALA CB C 24 18.086 18.086 18.149 -0.063 25437 6959 1 12 . 1 1 24 24 ALA H H 24 8.307 8.307 7.444 0.863 25437 6960 1 12 . 1 1 25 25 ARG N N 25 114.491 114.491 118.951 -4.460 25437 6961 1 12 . 1 1 25 25 ARG HA H 25 4.114 4.114 4.173 -0.059 25437 6962 1 12 . 1 1 25 25 ARG CA C 25 60.717 60.717 59.667 1.050 25437 6963 1 12 . 1 1 25 25 ARG CB C 25 29.257 29.257 30.507 -1.250 25437 6964 1 12 . 1 1 25 25 ARG H H 25 8.224 8.224 8.300 -0.076 25437 6965 1 12 . 1 1 26 26 ARG N N 26 119.944 119.944 117.739 2.205 25437 6966 1 12 . 1 1 26 26 ARG HA H 26 4.223 4.223 4.029 0.194 25437 6967 1 12 . 1 1 26 26 ARG CA C 26 57.097 57.097 59.200 -2.103 25437 6968 1 12 . 1 1 26 26 ARG CB C 26 28.888 28.888 30.096 -1.208 25437 6969 1 12 . 1 1 26 26 ARG H H 26 7.703 7.703 8.028 -0.325 25437 6970 1 12 . 1 1 27 27 ALA N N 27 122.041 122.041 123.479 -1.438 25437 6971 1 12 . 1 1 27 27 ALA HA H 27 3.611 3.611 3.973 -0.362 25437 6972 1 12 . 1 1 27 27 ALA CA C 27 55.249 55.249 54.906 0.343 25437 6973 1 12 . 1 1 27 27 ALA CB C 27 15.829 15.829 17.783 -1.954 25437 6974 1 12 . 1 1 27 27 ALA H H 27 8.754 8.754 8.123 0.631 25437 6975 1 12 . 1 1 28 28 LEU N N 28 117.421 117.421 118.366 -0.945 25437 6976 1 12 . 1 1 28 28 LEU HA H 28 4.053 4.053 4.255 -0.202 25437 6977 1 12 . 1 1 28 28 LEU CA C 28 57.757 57.757 58.373 -0.616 25437 6978 1 12 . 1 1 28 28 LEU CB C 28 40.351 40.351 42.098 -1.747 25437 6979 1 12 . 1 1 28 28 LEU H H 28 7.657 7.657 8.035 -0.378 25437 6980 1 12 . 1 1 29 29 GLU N N 29 114.911 114.911 117.447 -2.536 25437 6981 1 12 . 1 1 29 29 GLU HA H 29 4.023 4.023 4.118 -0.095 25437 6982 1 12 . 1 1 29 29 GLU CA C 29 58.489 58.489 58.050 0.439 25437 6983 1 12 . 1 1 29 29 GLU CB C 29 29.540 29.540 29.938 -0.398 25437 6984 1 12 . 1 1 29 29 GLU H H 29 7.039 7.039 7.310 -0.271 25437 6985 1 12 . 1 1 30 30 LEU N N 30 117.166 117.166 119.107 -1.941 25437 6986 1 12 . 1 1 30 30 LEU HA H 30 4.281 4.281 4.001 0.280 25437 6987 1 12 . 1 1 30 30 LEU CA C 30 55.266 55.266 56.657 -1.391 25437 6988 1 12 . 1 1 30 30 LEU CB C 30 44.403 44.403 42.384 2.019 25437 6989 1 12 . 1 1 30 30 LEU H H 30 7.353 7.353 8.032 -0.679 25437 6990 1 12 . 1 1 31 31 SER N N 31 116.260 116.260 114.735 1.525 25437 6991 1 12 . 1 1 31 31 SER HA H 31 4.557 4.557 4.241 0.316 25437 6992 1 12 . 1 1 31 31 SER CA C 31 55.723 55.723 57.786 -2.063 25437 6993 1 12 . 1 1 31 31 SER CB C 31 65.560 65.560 64.211 1.349 25437 6994 1 12 . 1 1 31 31 SER H H 31 7.742 7.742 7.900 -0.158 25437 6995 1 12 . 1 1 32 32 PRO HA H 32 4.609 4.609 4.213 0.396 25437 6996 1 12 . 1 1 32 32 PRO CA C 32 63.483 63.483 64.137 -0.654 25437 6997 1 12 . 1 1 32 32 PRO CB C 32 31.236 31.236 31.568 -0.332 25437 6998 1 12 . 1 1 33 33 TYR N N 33 114.714 114.714 118.884 -4.170 25437 6999 1 12 . 1 1 33 33 TYR HA H 33 4.710 4.710 4.626 0.084 25437 7000 1 12 . 1 1 33 33 TYR CA C 33 56.742 56.742 55.971 0.771 25437 7001 1 12 . 1 1 33 33 TYR CB C 33 41.506 41.506 38.939 2.567 25437 7002 1 12 . 1 1 33 33 TYR H H 33 7.727 7.727 7.194 0.533 25437 7003 1 12 . 1 1 34 34 ASP N N 34 125.197 125.197 120.384 4.813 25437 7004 1 12 . 1 1 34 34 ASP HA H 34 3.524 3.524 4.577 -1.053 25437 7005 1 12 . 1 1 34 34 ASP CA C 34 52.353 52.353 55.920 -3.567 25437 7006 1 12 . 1 1 34 34 ASP CB C 34 37.720 37.720 41.880 -4.160 25437 7007 1 12 . 1 1 34 34 ASP H H 34 8.630 8.630 8.823 -0.193 25437 7008 1 12 . 1 1 35 35 PHE N N 35 115.803 115.803 113.417 2.386 25437 7009 1 12 . 1 1 35 35 PHE HA H 35 5.131 5.131 5.405 -0.274 25437 7010 1 12 . 1 1 35 35 PHE CA C 35 55.839 55.839 56.745 -0.906 25437 7011 1 12 . 1 1 35 35 PHE CB C 35 40.751 40.751 42.995 -2.244 25437 7012 1 12 . 1 1 35 35 PHE H H 35 7.250 7.250 8.116 -0.866 25437 7013 1 12 . 1 1 36 36 THR N N 36 113.338 113.338 117.385 -4.047 25437 7014 1 12 . 1 1 36 36 THR HA H 36 4.769 4.769 4.596 0.173 25437 7015 1 12 . 1 1 36 36 THR CA C 36 58.833 58.833 59.966 -1.133 25437 7016 1 12 . 1 1 36 36 THR CB C 36 71.387 71.387 69.931 1.456 25437 7017 1 12 . 1 1 36 36 THR H H 36 9.026 9.026 8.870 0.156 25437 7018 1 12 . 1 1 37 37 ILE N N 37 124.219 124.219 128.276 -4.057 25437 7019 1 12 . 1 1 37 37 ILE HA H 37 4.676 4.676 4.324 0.352 25437 7020 1 12 . 1 1 37 37 ILE CA C 37 58.395 58.395 61.881 -3.486 25437 7021 1 12 . 1 1 37 37 ILE CB C 37 34.649 34.649 37.581 -2.932 25437 7022 1 12 . 1 1 37 37 ILE H H 37 8.476 8.476 8.997 -0.521 25437 7023 1 12 . 1 1 38 38 VAL N N 38 124.271 124.271 126.525 -2.254 25437 7024 1 12 . 1 1 38 38 VAL HA H 38 3.981 3.981 4.239 -0.258 25437 7025 1 12 . 1 1 38 38 VAL CA C 38 63.144 63.144 62.874 0.270 25437 7026 1 12 . 1 1 38 38 VAL CB C 38 32.658 32.658 32.996 -0.338 25437 7027 1 12 . 1 1 38 38 VAL H H 38 8.640 8.640 8.472 0.168 25437 7028 1 12 . 1 1 39 39 GLN N N 39 115.210 115.210 116.091 -0.881 25437 7029 1 12 . 1 1 39 39 GLN HA H 39 4.378 4.378 4.801 -0.423 25437 7030 1 12 . 1 1 39 39 GLN CA C 39 56.197 56.197 55.229 0.968 25437 7031 1 12 . 1 1 39 39 GLN CB C 39 33.463 33.463 32.943 0.520 25437 7032 1 12 . 1 1 39 39 GLN H H 39 7.305 7.305 7.743 -0.438 25437 7033 1 12 . 1 1 40 40 GLY N N 40 116.022 116.022 109.291 6.731 25437 7034 1 12 . 1 1 40 40 GLY CA C 40 45.347 45.347 45.483 -0.136 25437 7035 1 12 . 1 1 40 40 GLY H H 40 8.851 8.851 8.767 0.084 25437 7036 1 12 . 1 1 41 41 ILE N N 41 132.358 132.358 120.639 11.719 25437 7037 1 12 . 1 1 41 41 ILE HA H 41 4.715 4.715 4.534 0.181 25437 7038 1 12 . 1 1 41 41 ILE CA C 41 61.575 61.575 59.105 2.470 25437 7039 1 12 . 1 1 41 41 ILE CB C 41 38.774 38.774 41.668 -2.894 25437 7040 1 12 . 1 1 41 41 ILE H H 41 8.776 8.776 8.040 0.736 25437 7041 1 12 . 1 1 42 42 ARG N N 42 123.358 123.358 127.954 -4.596 25437 7042 1 12 . 1 1 42 42 ARG HA H 42 4.725 4.725 4.630 0.095 25437 7043 1 12 . 1 1 42 42 ARG CA C 42 54.576 54.576 55.303 -0.727 25437 7044 1 12 . 1 1 42 42 ARG CB C 42 33.425 33.425 30.524 2.901 25437 7045 1 12 . 1 1 42 42 ARG H H 42 7.154 7.154 8.442 -1.288 25437 7046 1 12 . 1 1 43 43 THR N N 43 115.494 115.494 118.363 -2.869 25437 7047 1 12 . 1 1 43 43 THR HA H 43 4.539 4.539 4.417 0.122 25437 7048 1 12 . 1 1 43 43 THR CA C 43 61.022 61.022 61.639 -0.617 25437 7049 1 12 . 1 1 43 43 THR CB C 43 70.577 70.577 69.570 1.007 25437 7050 1 12 . 1 1 43 43 THR H H 43 8.519 8.519 8.460 0.059 25437 7051 1 12 . 1 1 44 44 VAL N N 44 121.526 121.526 116.922 4.604 25437 7052 1 12 . 1 1 44 44 VAL HA H 44 3.956 3.956 4.161 -0.205 25437 7053 1 12 . 1 1 44 44 VAL CA C 44 63.977 63.977 64.184 -0.207 25437 7054 1 12 . 1 1 44 44 VAL CB C 44 32.313 32.313 30.985 1.327 25437 7055 1 12 . 1 1 44 44 VAL H H 44 8.516 8.516 8.398 0.118 25437 7056 1 12 . 1 1 45 45 ALA N N 45 125.457 125.457 121.964 3.493 25437 7057 1 12 . 1 1 45 45 ALA HA H 45 4.260 4.260 4.426 -0.166 25437 7058 1 12 . 1 1 45 45 ALA CA C 45 53.278 53.278 53.722 -0.444 25437 7059 1 12 . 1 1 45 45 ALA CB C 45 18.641 18.641 19.496 -0.855 25437 7060 1 12 . 1 1 45 45 ALA H H 45 8.311 8.311 8.009 0.302 25437 7061 1 12 . 1 1 46 46 GLN N N 46 118.271 118.271 119.756 -1.485 25437 7062 1 12 . 1 1 46 46 GLN HA H 46 4.232 4.232 4.152 0.080 25437 7063 1 12 . 1 1 46 46 GLN CA C 46 56.717 56.717 58.636 -1.919 25437 7064 1 12 . 1 1 46 46 GLN CB C 46 28.901 28.901 27.875 1.026 25437 7065 1 12 . 1 1 46 46 GLN H H 46 8.109 8.109 8.472 -0.363 25437 7066 1 12 . 1 1 47 47 SER N N 47 116.127 116.127 115.023 1.104 25437 7067 1 12 . 1 1 47 47 SER HA H 47 4.361 4.361 4.158 0.203 25437 7068 1 12 . 1 1 47 47 SER CA C 47 59.082 59.082 61.596 -2.514 25437 7069 1 12 . 1 1 47 47 SER CB C 47 64.009 64.009 62.610 1.399 25437 7070 1 12 . 1 1 47 47 SER H H 47 8.199 8.199 7.744 0.455 25437 7071 1 12 . 1 1 48 48 ALA N N 48 124.628 124.628 124.981 -0.353 25437 7072 1 12 . 1 1 48 48 ALA HA H 48 4.253 4.253 4.196 0.057 25437 7073 1 12 . 1 1 48 48 ALA CA C 48 53.325 53.325 54.543 -1.218 25437 7074 1 12 . 1 1 48 48 ALA CB C 48 18.552 18.552 18.516 0.036 25437 7075 1 12 . 1 1 48 48 ALA H H 48 8.315 8.315 8.366 -0.051 25437 7076 1 12 . 1 1 49 49 GLN N N 49 119.160 119.160 117.444 1.716 25437 7077 1 12 . 1 1 49 49 GLN HA H 49 4.232 4.232 4.200 0.032 25437 7078 1 12 . 1 1 49 49 GLN CA C 49 56.850 56.850 57.310 -0.460 25437 7079 1 12 . 1 1 49 49 GLN CB C 49 28.992 28.992 28.646 0.346 25437 7080 1 12 . 1 1 49 49 GLN H H 49 8.153 8.153 8.026 0.127 25437 7081 1 12 . 1 1 50 50 ASN N N 50 119.112 119.112 120.985 -1.873 25437 7082 1 12 . 1 1 50 50 ASN HA H 50 4.660 4.660 4.496 0.164 25437 7083 1 12 . 1 1 50 50 ASN CA C 50 53.572 53.572 56.548 -2.976 25437 7084 1 12 . 1 1 50 50 ASN CB C 50 38.376 38.376 38.659 -0.283 25437 7085 1 12 . 1 1 50 50 ASN H H 50 8.205 8.205 8.210 -0.005 25437 7086 1 12 . 1 1 51 51 ILE N N 51 120.639 120.639 115.004 5.635 25437 7087 1 12 . 1 1 51 51 ILE HA H 51 4.095 4.095 4.436 -0.341 25437 7088 1 12 . 1 1 51 51 ILE CA C 51 61.954 61.954 59.804 2.150 25437 7089 1 12 . 1 1 51 51 ILE CB C 51 38.414 38.414 36.320 2.094 25437 7090 1 12 . 1 1 51 51 ILE H H 51 7.939 7.939 7.693 0.246 25437 7091 1 12 . 1 1 52 52 ALA N N 52 126.459 126.459 124.715 1.744 25437 7092 1 12 . 1 1 52 52 ALA HA H 52 4.246 4.246 3.917 0.329 25437 7093 1 12 . 1 1 52 52 ALA CA C 52 53.189 53.189 54.890 -1.701 25437 7094 1 12 . 1 1 52 52 ALA CB C 52 18.453 18.453 18.461 -0.008 25437 7095 1 12 . 1 1 52 52 ALA H H 52 8.251 8.251 7.722 0.529 25437 7096 1 12 . 1 1 53 53 ASN N N 53 116.801 116.801 116.315 0.486 25437 7097 1 12 . 1 1 53 53 ASN HA H 53 4.648 4.648 4.430 0.218 25437 7098 1 12 . 1 1 53 53 ASN CA C 53 53.425 53.425 55.583 -2.158 25437 7099 1 12 . 1 1 53 53 ASN CB C 53 38.600 38.600 38.650 -0.050 25437 7100 1 12 . 1 1 53 53 ASN H H 53 8.230 8.230 8.338 -0.108 25437 7101 1 12 . 1 1 54 54 GLY N N 54 108.549 108.549 106.801 1.748 25437 7102 1 12 . 1 1 54 54 GLY CA C 54 45.746 45.746 45.220 0.526 25437 7103 1 12 . 1 1 54 54 GLY H H 54 8.191 8.191 7.638 0.553 25437 7104 1 12 . 1 1 55 55 THR N N 55 112.528 112.528 117.647 -5.119 25437 7105 1 12 . 1 1 55 55 THR HA H 55 4.282 4.282 4.285 -0.003 25437 7106 1 12 . 1 1 55 55 THR CA C 55 62.118 62.118 62.732 -0.614 25437 7107 1 12 . 1 1 55 55 THR CB C 55 69.796 69.796 69.505 0.291 25437 7108 1 12 . 1 1 55 55 THR H H 55 8.003 8.003 7.909 0.094 25437 7109 1 12 . 1 1 56 56 SER N N 56 116.986 116.986 122.144 -5.158 25437 7110 1 12 . 1 1 56 56 SER HA H 56 4.362 4.362 4.394 -0.032 25437 7111 1 12 . 1 1 56 56 SER CA C 56 58.454 58.454 59.619 -1.165 25437 7112 1 12 . 1 1 56 56 SER CB C 56 63.762 63.762 63.331 0.431 25437 7113 1 12 . 1 1 56 56 SER H H 56 8.043 8.043 8.659 -0.616 25437 7114 1 12 . 1 1 57 57 PHE N N 57 121.981 121.981 123.173 -1.192 25437 7115 1 12 . 1 1 57 57 PHE HA H 57 4.579 4.579 4.256 0.323 25437 7116 1 12 . 1 1 57 57 PHE CA C 57 57.929 57.929 60.987 -3.058 25437 7117 1 12 . 1 1 57 57 PHE CB C 57 39.068 39.068 39.092 -0.023 25437 7118 1 12 . 1 1 57 57 PHE H H 57 8.120 8.120 8.234 -0.114 25437 7119 1 12 . 1 1 58 58 LEU N N 58 121.621 121.621 119.103 2.518 25437 7120 1 12 . 1 1 58 58 LEU HA H 58 4.174 4.174 4.547 -0.373 25437 7121 1 12 . 1 1 58 58 LEU CA C 58 55.350 55.350 54.164 1.186 25437 7122 1 12 . 1 1 58 58 LEU CB C 58 42.340 42.340 40.098 2.242 25437 7123 1 12 . 1 1 58 58 LEU H H 58 7.806 7.806 7.799 0.007 25437 7124 1 12 . 1 1 59 59 LYS N N 59 120.388 120.388 119.098 1.290 25437 7125 1 12 . 1 1 59 59 LYS HA H 59 4.230 4.230 4.120 0.110 25437 7126 1 12 . 1 1 59 59 LYS CA C 59 55.823 55.823 55.912 -0.089 25437 7127 1 12 . 1 1 59 59 LYS CB C 59 32.616 32.616 32.933 -0.317 25437 7128 1 12 . 1 1 59 59 LYS H H 59 8.068 8.068 7.704 0.364 25437 7129 1 12 . 1 1 60 60 ASP N N 60 121.094 121.094 118.876 2.218 25437 7130 1 12 . 1 1 60 60 ASP HA H 60 4.828 4.828 4.518 0.310 25437 7131 1 12 . 1 1 60 60 ASP CA C 60 53.698 53.698 54.220 -0.522 25437 7132 1 12 . 1 1 60 60 ASP CB C 60 41.652 41.652 40.238 1.414 25437 7133 1 12 . 1 1 60 60 ASP H H 60 7.959 7.959 8.363 -0.404 25437 7134 1 12 . 1 1 61 61 PRO HA H 61 4.388 4.388 4.490 -0.102 25437 7135 1 12 . 1 1 61 61 PRO CA C 61 63.263 63.263 63.100 0.163 25437 7136 1 12 . 1 1 61 61 PRO CB C 61 31.697 31.697 32.302 -0.605 25437 7137 1 12 . 1 1 62 62 SER N N 62 115.353 115.353 118.092 -2.739 25437 7138 1 12 . 1 1 62 62 SER HA H 62 4.365 4.365 4.581 -0.216 25437 7139 1 12 . 1 1 62 62 SER CA C 62 59.258 59.258 57.424 1.834 25437 7140 1 12 . 1 1 62 62 SER CB C 62 63.634 63.634 63.234 0.400 25437 7141 1 12 . 1 1 62 62 SER H H 62 8.420 8.420 8.646 -0.226 25437 7142 1 12 . 1 1 63 63 LYS N N 63 122.360 122.360 121.856 0.504 25437 7143 1 12 . 1 1 63 63 LYS HA H 63 4.266 4.266 4.266 0.000 25437 7144 1 12 . 1 1 63 63 LYS CA C 63 56.628 56.628 57.734 -1.107 25437 7145 1 12 . 1 1 63 63 LYS CB C 63 29.327 29.327 32.701 -3.374 25437 7146 1 12 . 1 1 63 63 LYS H H 63 8.405 8.405 8.287 0.118 25437 7147 1 12 . 1 1 65 65 LYS N N 65 125.418 125.418 119.898 5.520 25437 7148 1 12 . 1 1 65 65 LYS HA H 65 4.146 4.146 4.471 -0.325 25437 7149 1 12 . 1 1 65 65 LYS CA C 65 63.350 63.350 58.106 5.244 25437 7150 1 12 . 1 1 65 65 LYS CB C 65 31.891 31.891 32.960 -1.069 25437 7151 1 12 . 1 1 65 65 LYS H H 65 8.369 8.369 8.861 -0.492 25437 7152 1 12 . 1 1 66 66 HIS N N 66 121.236 121.236 120.168 1.068 25437 7153 1 12 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.414 0.131 25437 7154 1 12 . 1 1 66 66 HIS CA C 66 59.256 59.256 59.153 0.103 25437 7155 1 12 . 1 1 66 66 HIS CB C 66 28.619 28.619 29.506 -0.887 25437 7156 1 12 . 1 1 66 66 HIS H H 66 8.758 8.758 8.284 0.474 25437 7157 1 12 . 1 1 67 67 ILE N N 67 120.137 120.137 119.217 0.920 25437 7158 1 12 . 1 1 67 67 ILE HA H 67 4.372 4.372 3.968 0.404 25437 7159 1 12 . 1 1 67 67 ILE CA C 67 63.961 63.961 64.012 -0.051 25437 7160 1 12 . 1 1 67 67 ILE CB C 67 37.935 37.935 36.549 1.386 25437 7161 1 12 . 1 1 67 67 ILE H H 67 7.849 7.849 8.151 -0.302 25437 7162 1 12 . 1 1 68 68 THR N N 68 104.067 104.067 107.791 -3.724 25437 7163 1 12 . 1 1 68 68 THR HA H 68 4.397 4.397 4.421 -0.024 25437 7164 1 12 . 1 1 68 68 THR CA C 68 61.343 61.343 61.651 -0.308 25437 7165 1 12 . 1 1 68 68 THR CB C 68 68.473 68.473 69.863 -1.390 25437 7166 1 12 . 1 1 68 68 THR H H 68 7.168 7.168 7.823 -0.655 25437 7167 1 12 . 1 1 69 69 GLY N N 69 107.308 107.308 111.019 -3.711 25437 7168 1 12 . 1 1 69 69 GLY CA C 69 46.665 46.665 46.410 0.255 25437 7169 1 12 . 1 1 69 69 GLY H H 69 7.169 7.169 7.759 -0.590 25437 7170 1 12 . 1 1 70 70 ASP N N 70 114.629 114.629 119.394 -4.765 25437 7171 1 12 . 1 1 70 70 ASP HA H 70 4.734 4.734 4.728 0.006 25437 7172 1 12 . 1 1 70 70 ASP CA C 70 54.627 54.627 54.456 0.171 25437 7173 1 12 . 1 1 70 70 ASP CB C 70 44.451 44.451 40.586 3.865 25437 7174 1 12 . 1 1 70 70 ASP H H 70 7.644 7.644 7.725 -0.081 25437 7175 1 12 . 1 1 71 71 ALA N N 71 118.917 118.917 118.124 0.793 25437 7176 1 12 . 1 1 71 71 ALA HA H 71 5.062 5.062 4.891 0.171 25437 7177 1 12 . 1 1 71 71 ALA CA C 71 51.498 51.498 51.275 0.223 25437 7178 1 12 . 1 1 71 71 ALA CB C 71 21.994 21.994 22.109 -0.115 25437 7179 1 12 . 1 1 71 71 ALA H H 71 7.529 7.529 7.303 0.226 25437 7180 1 12 . 1 1 72 72 ILE N N 72 110.818 110.818 113.591 -2.773 25437 7181 1 12 . 1 1 72 72 ILE HA H 72 5.249 5.249 4.452 0.797 25437 7182 1 12 . 1 1 72 72 ILE CA C 72 58.821 58.821 60.396 -1.575 25437 7183 1 12 . 1 1 72 72 ILE CB C 72 43.709 43.709 42.008 1.701 25437 7184 1 12 . 1 1 72 72 ILE H H 72 8.449 8.449 8.804 -0.355 25437 7185 1 12 . 1 1 73 73 ASP N N 73 117.790 117.790 120.934 -3.144 25437 7186 1 12 . 1 1 73 73 ASP HA H 73 6.094 6.094 5.423 0.671 25437 7187 1 12 . 1 1 73 73 ASP CA C 73 52.090 52.090 53.041 -0.951 25437 7188 1 12 . 1 1 73 73 ASP CB C 73 42.655 42.655 45.416 -2.761 25437 7189 1 12 . 1 1 73 73 ASP H H 73 8.442 8.442 8.716 -0.274 25437 7190 1 12 . 1 1 74 74 PHE N N 74 122.479 122.479 119.571 2.908 25437 7191 1 12 . 1 1 74 74 PHE HA H 74 6.173 6.173 5.363 0.810 25437 7192 1 12 . 1 1 74 74 PHE CA C 74 54.775 54.775 56.206 -1.431 25437 7193 1 12 . 1 1 74 74 PHE CB C 74 44.115 44.115 42.502 1.613 25437 7194 1 12 . 1 1 74 74 PHE H H 74 9.463 9.463 7.448 2.015 25437 7195 1 12 . 1 1 75 75 ALA N N 75 118.862 118.862 121.360 -2.498 25437 7196 1 12 . 1 1 75 75 ALA HA H 75 4.453 4.453 4.333 0.120 25437 7197 1 12 . 1 1 75 75 ALA CA C 75 50.134 50.134 48.989 1.145 25437 7198 1 12 . 1 1 75 75 ALA CB C 75 21.020 21.020 21.532 -0.512 25437 7199 1 12 . 1 1 75 75 ALA H H 75 8.575 8.575 9.062 -0.487 25437 7200 1 12 . 1 1 76 76 PRO HA H 76 4.466 4.466 4.547 -0.081 25437 7201 1 12 . 1 1 76 76 PRO CA C 76 62.353 62.353 62.675 -0.322 25437 7202 1 12 . 1 1 76 76 PRO CB C 76 32.135 32.135 30.613 1.522 25437 7203 1 12 . 1 1 77 77 TYR N N 77 126.211 126.211 126.113 0.098 25437 7204 1 12 . 1 1 77 77 TYR HA H 77 4.835 4.835 4.593 0.242 25437 7205 1 12 . 1 1 77 77 TYR CA C 77 56.830 56.830 58.840 -2.010 25437 7206 1 12 . 1 1 77 77 TYR CB C 77 40.384 40.384 39.938 0.446 25437 7207 1 12 . 1 1 77 77 TYR H H 77 8.357 8.357 8.434 -0.077 25437 7208 1 12 . 1 1 78 78 ILE N N 78 124.613 124.613 125.365 -0.752 25437 7209 1 12 . 1 1 78 78 ILE HA H 78 4.210 4.210 4.201 0.009 25437 7210 1 12 . 1 1 78 78 ILE CA C 78 59.941 59.941 60.577 -0.636 25437 7211 1 12 . 1 1 78 78 ILE CB C 78 40.652 40.652 41.312 -0.660 25437 7212 1 12 . 1 1 78 78 ILE H H 78 8.334 8.334 8.948 -0.614 25437 7213 1 12 . 1 1 79 79 ASN N N 79 126.361 126.361 123.577 2.784 25437 7214 1 12 . 1 1 79 79 ASN HA H 79 4.339 4.339 4.475 -0.136 25437 7215 1 12 . 1 1 79 79 ASN CA C 79 53.937 53.937 53.953 -0.016 25437 7216 1 12 . 1 1 79 79 ASN CB C 79 36.887 36.887 37.751 -0.864 25437 7217 1 12 . 1 1 79 79 ASN H H 79 9.444 9.444 9.093 0.351 25437 7218 1 12 . 1 1 80 80 GLY N N 80 102.068 102.068 101.647 0.421 25437 7219 1 12 . 1 1 80 80 GLY CA C 80 45.663 45.663 45.567 0.096 25437 7220 1 12 . 1 1 80 80 GLY H H 80 8.240 8.240 8.569 -0.329 25437 7221 1 12 . 1 1 81 81 LYS N N 81 117.260 117.260 117.333 -0.073 25437 7222 1 12 . 1 1 81 81 LYS HA H 81 4.534 4.534 4.234 0.300 25437 7223 1 12 . 1 1 81 81 LYS CA C 81 54.226 54.226 54.048 0.178 25437 7224 1 12 . 1 1 81 81 LYS CB C 81 35.655 35.655 36.221 -0.566 25437 7225 1 12 . 1 1 81 81 LYS H H 81 7.046 7.046 7.475 -0.429 25437 7226 1 12 . 1 1 82 82 ILE N N 82 122.347 122.347 120.260 2.087 25437 7227 1 12 . 1 1 82 82 ILE HA H 82 4.091 4.091 3.292 0.799 25437 7228 1 12 . 1 1 82 82 ILE CA C 82 62.621 62.621 61.989 0.632 25437 7229 1 12 . 1 1 82 82 ILE CB C 82 37.833 37.833 37.912 -0.079 25437 7230 1 12 . 1 1 82 82 ILE H H 82 8.418 8.418 8.135 0.283 25437 7231 1 12 . 1 1 83 83 ASP N N 83 128.498 128.498 126.315 2.183 25437 7232 1 12 . 1 1 83 83 ASP HA H 83 4.808 4.808 4.614 0.194 25437 7233 1 12 . 1 1 83 83 ASP CA C 83 51.619 51.619 52.974 -1.355 25437 7234 1 12 . 1 1 83 83 ASP CB C 83 41.079 41.079 40.517 0.562 25437 7235 1 12 . 1 1 83 83 ASP H H 83 8.028 8.028 8.156 -0.128 25437 7236 1 12 . 1 1 84 84 TRP N N 84 121.807 121.807 124.730 -2.923 25437 7237 1 12 . 1 1 84 84 TRP HA H 84 4.574 4.574 4.801 -0.227 25437 7238 1 12 . 1 1 84 84 TRP CA C 84 58.456 58.456 58.372 0.084 25437 7239 1 12 . 1 1 84 84 TRP CB C 84 30.177 30.177 31.073 -0.896 25437 7240 1 12 . 1 1 84 84 TRP H H 84 8.081 8.081 8.248 -0.168 25437 7241 1 12 . 1 1 85 85 ASN N N 85 113.227 113.227 116.508 -3.281 25437 7242 1 12 . 1 1 85 85 ASN HA H 85 4.975 4.975 4.788 0.187 25437 7243 1 12 . 1 1 85 85 ASN CA C 85 53.430 53.430 54.474 -1.044 25437 7244 1 12 . 1 1 85 85 ASN CB C 85 40.162 40.162 39.800 0.362 25437 7245 1 12 . 1 1 85 85 ASN H H 85 8.386 8.386 8.100 0.286 25437 7246 1 12 . 1 1 86 86 ASP N N 86 118.821 118.821 122.500 -3.679 25437 7247 1 12 . 1 1 86 86 ASP HA H 86 4.813 4.813 4.672 0.141 25437 7248 1 12 . 1 1 86 86 ASP CA C 86 52.255 52.255 54.094 -1.839 25437 7249 1 12 . 1 1 86 86 ASP CB C 86 37.613 37.613 40.302 -2.689 25437 7250 1 12 . 1 1 86 86 ASP H H 86 7.405 7.405 7.970 -0.565 25437 7251 1 12 . 1 1 87 87 LEU N N 87 127.177 127.177 122.611 4.566 25437 7252 1 12 . 1 1 87 87 LEU HA H 87 4.055 4.055 4.388 -0.333 25437 7253 1 12 . 1 1 87 87 LEU CA C 87 58.321 58.321 57.000 1.321 25437 7254 1 12 . 1 1 87 87 LEU CB C 87 40.887 40.887 41.823 -0.936 25437 7255 1 12 . 1 1 87 87 LEU H H 87 8.274 8.274 7.973 0.301 25437 7256 1 12 . 1 1 88 88 GLU N N 88 114.132 114.132 120.309 -6.177 25437 7257 1 12 . 1 1 88 88 GLU HA H 88 3.938 3.938 3.996 -0.058 25437 7258 1 12 . 1 1 88 88 GLU CA C 88 59.437 59.437 59.473 -0.036 25437 7259 1 12 . 1 1 88 88 GLU CB C 88 27.987 27.987 29.640 -1.653 25437 7260 1 12 . 1 1 88 88 GLU H H 88 8.257 8.257 7.971 0.286 25437 7261 1 12 . 1 1 89 89 ALA N N 89 122.075 122.075 121.584 0.491 25437 7262 1 12 . 1 1 89 89 ALA HA H 89 3.799 3.799 4.275 -0.476 25437 7263 1 12 . 1 1 89 89 ALA CA C 89 54.703 54.703 54.784 -0.081 25437 7264 1 12 . 1 1 89 89 ALA CB C 89 17.635 17.635 18.119 -0.484 25437 7265 1 12 . 1 1 89 89 ALA H H 89 7.418 7.418 7.993 -0.575 25437 7266 1 12 . 1 1 90 90 PHE N N 90 116.551 116.551 118.730 -2.179 25437 7267 1 12 . 1 1 90 90 PHE HA H 90 4.025 4.025 4.245 -0.220 25437 7268 1 12 . 1 1 90 90 PHE CA C 90 64.150 64.150 61.264 2.886 25437 7269 1 12 . 1 1 90 90 PHE CB C 90 38.965 38.965 38.837 0.128 25437 7270 1 12 . 1 1 90 90 PHE H H 90 7.777 7.777 7.596 0.181 25437 7271 1 12 . 1 1 91 91 TRP N N 91 119.390 119.390 121.865 -2.475 25437 7272 1 12 . 1 1 91 91 TRP HA H 91 4.578 4.578 4.315 0.263 25437 7273 1 12 . 1 1 91 91 TRP CA C 91 59.217 59.217 61.340 -2.123 25437 7274 1 12 . 1 1 91 91 TRP CB C 91 29.802 29.802 28.966 0.836 25437 7275 1 12 . 1 1 91 91 TRP H H 91 7.821 7.821 8.722 -0.901 25437 7276 1 12 . 1 1 92 92 ALA N N 92 121.275 121.275 122.349 -1.074 25437 7277 1 12 . 1 1 92 92 ALA HA H 92 4.124 4.124 3.793 0.331 25437 7278 1 12 . 1 1 92 92 ALA CA C 92 55.229 55.229 55.054 0.175 25437 7279 1 12 . 1 1 92 92 ALA CB C 92 18.870 18.870 18.086 0.784 25437 7280 1 12 . 1 1 92 92 ALA H H 92 8.242 8.242 7.440 0.802 25437 7281 1 12 . 1 1 93 93 VAL N N 93 120.454 120.454 118.290 2.164 25437 7282 1 12 . 1 1 93 93 VAL HA H 93 3.600 3.600 3.691 -0.091 25437 7283 1 12 . 1 1 93 93 VAL CA C 93 66.424 66.424 66.783 -0.359 25437 7284 1 12 . 1 1 93 93 VAL CB C 93 30.676 30.676 31.317 -0.641 25437 7285 1 12 . 1 1 93 93 VAL H H 93 8.259 8.259 8.049 0.210 25437 7286 1 12 . 1 1 94 94 LYS N N 94 122.098 122.098 120.095 2.003 25437 7287 1 12 . 1 1 94 94 LYS HA H 94 3.690 3.690 4.011 -0.321 25437 7288 1 12 . 1 1 94 94 LYS CA C 94 60.959 60.959 59.896 1.063 25437 7289 1 12 . 1 1 94 94 LYS CB C 94 31.484 31.484 32.048 -0.564 25437 7290 1 12 . 1 1 94 94 LYS H H 94 8.382 8.382 8.064 0.318 25437 7291 1 12 . 1 1 95 95 LYS N N 95 118.030 118.030 118.953 -0.923 25437 7292 1 12 . 1 1 95 95 LYS HA H 95 3.958 3.958 4.392 -0.434 25437 7293 1 12 . 1 1 95 95 LYS CA C 95 59.212 59.212 59.145 0.067 25437 7294 1 12 . 1 1 95 95 LYS CB C 95 31.219 31.219 32.214 -0.995 25437 7295 1 12 . 1 1 95 95 LYS H H 95 7.957 7.957 7.995 -0.038 25437 7296 1 12 . 1 1 96 96 ALA N N 96 124.359 124.359 121.432 2.927 25437 7297 1 12 . 1 1 96 96 ALA HA H 96 4.229 4.229 4.127 0.102 25437 7298 1 12 . 1 1 96 96 ALA CA C 96 55.422 55.422 54.992 0.430 25437 7299 1 12 . 1 1 96 96 ALA CB C 96 17.148 17.148 18.311 -1.163 25437 7300 1 12 . 1 1 96 96 ALA H H 96 7.668 7.668 7.757 -0.089 25437 7301 1 12 . 1 1 97 97 PHE N N 97 117.446 117.446 119.422 -1.976 25437 7302 1 12 . 1 1 97 97 PHE HA H 97 3.883 3.883 4.166 -0.283 25437 7303 1 12 . 1 1 97 97 PHE CA C 97 63.187 63.187 62.124 1.062 25437 7304 1 12 . 1 1 97 97 PHE CB C 97 40.401 40.401 39.295 1.106 25437 7305 1 12 . 1 1 97 97 PHE H H 97 8.369 8.369 7.671 0.698 25437 7306 1 12 . 1 1 98 98 GLU N N 98 119.148 119.148 118.383 0.765 25437 7307 1 12 . 1 1 98 98 GLU HA H 98 4.140 4.140 3.937 0.203 25437 7308 1 12 . 1 1 98 98 GLU CA C 98 59.610 59.610 59.028 0.582 25437 7309 1 12 . 1 1 98 98 GLU CB C 98 29.444 29.444 29.000 0.444 25437 7310 1 12 . 1 1 98 98 GLU H H 98 8.821 8.821 8.308 0.513 25437 7311 1 12 . 1 1 99 99 GLN N N 99 120.727 120.727 119.485 1.242 25437 7312 1 12 . 1 1 99 99 GLN HA H 99 4.061 4.061 4.137 -0.076 25437 7313 1 12 . 1 1 99 99 GLN CA C 99 59.130 59.130 58.189 0.941 25437 7314 1 12 . 1 1 99 99 GLN CB C 99 27.524 27.524 28.736 -1.212 25437 7315 1 12 . 1 1 99 99 GLN H H 99 8.436 8.436 7.817 0.619 25437 7316 1 12 . 1 1 100 100 ALA N N 100 122.603 122.603 123.001 -0.398 25437 7317 1 12 . 1 1 100 100 ALA HA H 100 3.886 3.886 4.206 -0.320 25437 7318 1 12 . 1 1 100 100 ALA CA C 100 55.399 55.399 54.904 0.495 25437 7319 1 12 . 1 1 100 100 ALA CB C 100 19.472 19.472 18.202 1.270 25437 7320 1 12 . 1 1 100 100 ALA H H 100 8.433 8.433 8.287 0.146 25437 7321 1 12 . 1 1 101 101 GLY N N 101 104.253 104.253 104.489 -0.236 25437 7322 1 12 . 1 1 101 101 GLY CA C 101 47.843 47.843 46.825 1.018 25437 7323 1 12 . 1 1 101 101 GLY H H 101 9.035 9.035 8.069 0.966 25437 7324 1 12 . 1 1 102 102 LYS N N 102 121.912 121.912 119.857 2.055 25437 7325 1 12 . 1 1 102 102 LYS HA H 102 4.116 4.116 4.144 -0.028 25437 7326 1 12 . 1 1 102 102 LYS CA C 102 59.314 59.314 58.735 0.579 25437 7327 1 12 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.570 -0.391 25437 7328 1 12 . 1 1 102 102 LYS H H 102 7.928 7.928 7.648 0.280 25437 7329 1 12 . 1 1 103 103 GLU N N 103 119.382 119.382 118.664 0.718 25437 7330 1 12 . 1 1 103 103 GLU HA H 103 3.989 3.989 4.166 -0.177 25437 7331 1 12 . 1 1 103 103 GLU CA C 103 59.093 59.093 58.128 0.965 25437 7332 1 12 . 1 1 103 103 GLU CB C 103 30.127 30.127 29.601 0.526 25437 7333 1 12 . 1 1 103 103 GLU H H 103 8.406 8.406 7.744 0.662 25437 7334 1 12 . 1 1 104 104 LEU N N 104 115.551 115.551 118.305 -2.754 25437 7335 1 12 . 1 1 104 104 LEU HA H 104 4.360 4.360 4.348 0.012 25437 7336 1 12 . 1 1 104 104 LEU CA C 104 55.185 55.185 55.205 -0.020 25437 7337 1 12 . 1 1 104 104 LEU CB C 104 43.105 43.105 42.487 0.618 25437 7338 1 12 . 1 1 104 104 LEU H H 104 7.999 7.999 8.452 -0.453 25437 7339 1 12 . 1 1 105 105 GLY N N 105 110.561 110.561 106.341 4.220 25437 7340 1 12 . 1 1 105 105 GLY CA C 105 46.480 46.480 45.817 0.663 25437 7341 1 12 . 1 1 105 105 GLY H H 105 7.898 7.898 7.782 0.116 25437 7342 1 12 . 1 1 106 106 ILE N N 106 121.745 121.745 120.783 0.962 25437 7343 1 12 . 1 1 106 106 ILE HA H 106 4.227 4.227 3.867 0.360 25437 7344 1 12 . 1 1 106 106 ILE CA C 106 59.717 59.717 61.608 -1.891 25437 7345 1 12 . 1 1 106 106 ILE CB C 106 41.096 41.096 38.442 2.654 25437 7346 1 12 . 1 1 106 106 ILE H H 106 8.428 8.428 7.664 0.764 25437 7347 1 12 . 1 1 107 107 LYS N N 107 127.736 127.736 128.616 -0.880 25437 7348 1 12 . 1 1 107 107 LYS HA H 107 4.275 4.275 4.171 0.104 25437 7349 1 12 . 1 1 107 107 LYS CA C 107 57.224 57.224 57.508 -0.284 25437 7350 1 12 . 1 1 107 107 LYS CB C 107 32.752 32.752 32.691 0.062 25437 7351 1 12 . 1 1 107 107 LYS H H 107 8.489 8.489 8.580 -0.091 25437 7352 1 12 . 1 1 108 108 LEU N N 108 122.881 122.881 124.346 -1.465 25437 7353 1 12 . 1 1 108 108 LEU HA H 108 5.235 5.235 4.507 0.728 25437 7354 1 12 . 1 1 108 108 LEU CA C 108 53.287 53.287 54.679 -1.392 25437 7355 1 12 . 1 1 108 108 LEU CB C 108 47.016 47.016 44.889 2.127 25437 7356 1 12 . 1 1 108 108 LEU H H 108 8.049 8.049 8.423 -0.374 25437 7357 1 12 . 1 1 109 109 ARG N N 109 120.726 120.726 123.995 -3.269 25437 7358 1 12 . 1 1 109 109 ARG HA H 109 4.438 4.438 4.092 0.346 25437 7359 1 12 . 1 1 109 109 ARG CA C 109 55.193 55.193 55.588 -0.395 25437 7360 1 12 . 1 1 109 109 ARG CB C 109 33.519 33.519 34.771 -1.252 25437 7361 1 12 . 1 1 109 109 ARG H H 109 8.736 8.736 8.103 0.633 25437 7362 1 12 . 1 1 110 110 PHE N N 110 121.516 121.516 119.348 2.168 25437 7363 1 12 . 1 1 110 110 PHE HA H 110 5.303 5.303 5.042 0.261 25437 7364 1 12 . 1 1 110 110 PHE CA C 110 56.644 56.644 55.880 0.764 25437 7365 1 12 . 1 1 110 110 PHE CB C 110 40.602 40.602 40.897 -0.295 25437 7366 1 12 . 1 1 110 110 PHE H H 110 8.707 8.707 8.081 0.626 25437 7367 1 12 . 1 1 111 111 GLY N N 111 108.992 108.992 109.146 -0.154 25437 7368 1 12 . 1 1 111 111 GLY CA C 111 45.604 45.604 44.909 0.695 25437 7369 1 12 . 1 1 111 111 GLY H H 111 7.819 7.819 8.790 -0.971 25437 7370 1 12 . 1 1 112 112 ALA N N 112 111.448 111.448 127.121 -15.673 25437 7371 1 12 . 1 1 112 112 ALA HA H 112 3.858 3.858 4.656 -0.798 25437 7372 1 12 . 1 1 112 112 ALA CA C 112 52.083 52.083 51.679 0.404 25437 7373 1 12 . 1 1 112 112 ALA CB C 112 18.655 18.655 19.262 -0.607 25437 7374 1 12 . 1 1 112 112 ALA H H 112 7.945 7.945 8.215 -0.270 25437 7375 1 12 . 1 1 113 113 ASP N N 113 106.770 106.770 120.004 -13.234 25437 7376 1 12 . 1 1 113 113 ASP HA H 113 5.157 5.157 4.486 0.671 25437 7377 1 12 . 1 1 113 113 ASP CA C 113 52.285 52.285 56.737 -4.452 25437 7378 1 12 . 1 1 113 113 ASP CB C 113 41.465 41.465 40.832 0.633 25437 7379 1 12 . 1 1 113 113 ASP H H 113 7.000 7.000 8.879 -1.879 25437 7380 1 12 . 1 1 114 114 TRP N N 114 119.829 119.829 118.481 1.348 25437 7381 1 12 . 1 1 114 114 TRP HA H 114 4.184 4.184 4.524 -0.340 25437 7382 1 12 . 1 1 114 114 TRP CA C 114 61.455 61.455 60.108 1.347 25437 7383 1 12 . 1 1 114 114 TRP CB C 114 26.427 26.427 29.382 -2.955 25437 7384 1 12 . 1 1 114 114 TRP H H 114 7.589 7.589 8.460 -0.871 25437 7385 1 12 . 1 1 115 115 ASN N N 115 117.900 117.900 117.318 0.582 25437 7386 1 12 . 1 1 115 115 ASN HA H 115 4.548 4.548 4.390 0.158 25437 7387 1 12 . 1 1 115 115 ASN CA C 115 55.955 55.955 56.134 -0.179 25437 7388 1 12 . 1 1 115 115 ASN CB C 115 36.818 36.818 38.151 -1.333 25437 7389 1 12 . 1 1 115 115 ASN H H 115 9.503 9.503 7.834 1.669 25437 7390 1 12 . 1 1 116 116 ALA N N 116 123.758 123.758 120.672 3.086 25437 7391 1 12 . 1 1 116 116 ALA HA H 116 4.181 4.181 4.195 -0.014 25437 7392 1 12 . 1 1 116 116 ALA CA C 116 53.111 53.111 53.843 -0.732 25437 7393 1 12 . 1 1 116 116 ALA CB C 116 16.596 16.596 18.466 -1.870 25437 7394 1 12 . 1 1 116 116 ALA H H 116 8.079 8.079 7.320 0.759 25437 7395 1 12 . 1 1 117 117 SER N N 117 116.009 116.009 113.829 2.180 25437 7396 1 12 . 1 1 117 117 SER HA H 117 4.417 4.417 4.184 0.233 25437 7397 1 12 . 1 1 117 117 SER CA C 117 59.433 59.433 60.500 -1.067 25437 7398 1 12 . 1 1 117 117 SER CB C 117 65.026 65.026 63.612 1.414 25437 7399 1 12 . 1 1 117 117 SER H H 117 9.460 9.460 8.039 1.421 25437 7400 1 12 . 1 1 118 118 GLY N N 118 115.031 115.031 108.045 6.986 25437 7401 1 12 . 1 1 118 118 GLY CA C 118 45.197 45.197 44.901 0.296 25437 7402 1 12 . 1 1 118 118 GLY H H 118 10.733 10.733 8.088 2.645 25437 7403 1 12 . 1 1 119 119 ASP N N 119 116.435 116.435 119.122 -2.687 25437 7404 1 12 . 1 1 119 119 ASP HA H 119 4.590 4.590 4.560 0.030 25437 7405 1 12 . 1 1 119 119 ASP CA C 119 53.181 53.181 52.501 0.680 25437 7406 1 12 . 1 1 119 119 ASP CB C 119 43.864 43.864 42.210 1.654 25437 7407 1 12 . 1 1 119 119 ASP H H 119 7.770 7.770 7.788 -0.018 25437 7408 1 12 . 1 1 120 120 TYR N N 120 120.253 120.253 121.008 -0.755 25437 7409 1 12 . 1 1 120 120 TYR HA H 120 6.088 6.088 4.686 1.402 25437 7410 1 12 . 1 1 120 120 TYR CA C 120 56.003 56.003 57.025 -1.022 25437 7411 1 12 . 1 1 120 120 TYR CB C 120 40.371 40.371 36.776 3.595 25437 7412 1 12 . 1 1 120 120 TYR H H 120 6.801 6.801 8.216 -1.415 25437 7413 1 12 . 1 1 121 121 HIS HA H 121 4.537 4.537 4.337 0.200 25437 7414 1 12 . 1 1 121 121 HIS CA C 121 59.002 59.002 58.144 0.858 25437 7415 1 12 . 1 1 121 121 HIS CB C 121 27.950 27.950 29.542 -1.592 25437 7416 1 12 . 1 1 122 122 ASP N N 122 111.622 111.622 119.528 -7.906 25437 7417 1 12 . 1 1 122 122 ASP HA H 122 4.815 4.815 3.875 0.940 25437 7418 1 12 . 1 1 122 122 ASP CA C 122 51.612 51.612 55.561 -3.949 25437 7419 1 12 . 1 1 122 122 ASP CB C 122 36.980 36.980 40.695 -3.715 25437 7420 1 12 . 1 1 122 122 ASP H H 122 8.154 8.154 8.002 0.152 25437 7421 1 12 . 1 1 124 124 ILE N N 124 119.763 119.763 112.488 7.275 25437 7422 1 12 . 1 1 124 124 ILE HA H 124 3.843 3.843 3.728 0.115 25437 7423 1 12 . 1 1 124 124 ILE CA C 124 64.714 64.714 63.730 0.984 25437 7424 1 12 . 1 1 124 124 ILE CB C 124 36.859 36.859 37.508 -0.648 25437 7425 1 12 . 1 1 124 124 ILE H H 124 7.639 7.639 8.317 -0.678 25437 7426 1 12 . 1 1 125 125 LYS N N 125 121.010 121.010 118.330 2.680 25437 7427 1 12 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.131 -0.022 25437 7428 1 12 . 1 1 125 125 LYS CA C 125 59.241 59.241 58.513 0.728 25437 7429 1 12 . 1 1 125 125 LYS CB C 125 31.985 31.985 32.249 -0.264 25437 7430 1 12 . 1 1 125 125 LYS H H 125 7.739 7.739 7.933 -0.194 25437 7431 1 12 . 1 1 126 126 ARG N N 126 115.276 115.276 118.295 -3.019 25437 7432 1 12 . 1 1 126 126 ARG HA H 126 4.338 4.338 4.381 -0.043 25437 7433 1 12 . 1 1 126 126 ARG CA C 126 57.189 57.189 55.197 1.992 25437 7434 1 12 . 1 1 126 126 ARG CB C 126 31.015 31.015 31.359 -0.344 25437 7435 1 12 . 1 1 126 126 ARG H H 126 7.904 7.904 7.806 0.098 25437 7436 1 12 . 1 1 127 127 GLY N N 127 107.767 107.767 109.915 -2.148 25437 7437 1 12 . 1 1 127 127 GLY CA C 127 45.822 45.822 46.084 -0.262 25437 7438 1 12 . 1 1 127 127 GLY H H 127 7.912 7.912 8.289 -0.377 25437 7439 1 12 . 1 1 128 128 THR N N 128 107.570 107.570 113.358 -5.788 25437 7440 1 12 . 1 1 128 128 THR HA H 128 4.252 4.252 4.237 0.015 25437 7441 1 12 . 1 1 128 128 THR CA C 128 60.620 60.620 60.697 -0.077 25437 7442 1 12 . 1 1 128 128 THR CB C 128 69.224 69.224 70.144 -0.920 25437 7443 1 12 . 1 1 128 128 THR H H 128 8.121 8.121 7.455 0.666 25437 7444 1 12 . 1 1 129 129 TYR N N 129 123.143 123.143 121.689 1.454 25437 7445 1 12 . 1 1 129 129 TYR HA H 129 4.173 4.173 4.604 -0.431 25437 7446 1 12 . 1 1 129 129 TYR CA C 129 61.448 61.448 56.329 5.119 25437 7447 1 12 . 1 1 129 129 TYR CB C 129 38.796 38.796 38.851 -0.055 25437 7448 1 12 . 1 1 129 129 TYR H H 129 7.209 7.209 8.577 -1.368 25437 7449 1 12 . 1 1 130 130 ASP N N 130 117.930 117.930 122.548 -4.618 25437 7450 1 12 . 1 1 130 130 ASP HA H 130 4.641 4.641 4.261 0.380 25437 7451 1 12 . 1 1 130 130 ASP CA C 130 53.440 53.440 55.742 -2.302 25437 7452 1 12 . 1 1 130 130 ASP CB C 130 43.221 43.221 40.603 2.618 25437 7453 1 12 . 1 1 130 130 ASP H H 130 8.216 8.216 7.280 0.936 25437 7454 1 12 . 1 1 132 132 GLY N N 132 107.481 107.481 110.922 -3.441 25437 7455 1 12 . 1 1 132 132 GLY CA C 132 44.013 44.013 44.548 -0.535 25437 7456 1 12 . 1 1 132 132 GLY H H 132 8.304 8.304 7.372 0.932 25437 7457 1 12 . 1 1 133 133 HIS N N 133 117.609 117.609 122.396 -4.787 25437 7458 1 12 . 1 1 133 133 HIS HA H 133 5.430 5.430 4.457 0.973 25437 7459 1 12 . 1 1 133 133 HIS CA C 133 57.155 57.155 56.922 0.233 25437 7460 1 12 . 1 1 133 133 HIS CB C 133 31.667 31.667 29.692 1.975 25437 7461 1 12 . 1 1 133 133 HIS H H 133 6.942 6.942 7.093 -0.151 25437 7462 1 12 . 1 1 134 134 VAL N N 134 133.201 133.201 121.691 11.510 25437 7463 1 12 . 1 1 134 134 VAL HA H 134 4.254 4.254 4.715 -0.461 25437 7464 1 12 . 1 1 134 134 VAL CA C 134 61.676 61.676 60.300 1.376 25437 7465 1 12 . 1 1 134 134 VAL CB C 134 34.775 34.775 34.159 0.616 25437 7466 1 12 . 1 1 134 134 VAL H H 134 9.127 9.127 8.048 1.079 25437 7467 1 12 . 1 1 135 135 GLU N N 135 119.904 119.904 124.033 -4.129 25437 7468 1 12 . 1 1 135 135 GLU HA H 135 5.458 5.458 4.924 0.534 25437 7469 1 12 . 1 1 135 135 GLU CA C 135 52.126 52.126 53.901 -1.776 25437 7470 1 12 . 1 1 135 135 GLU CB C 135 34.550 34.550 33.817 0.733 25437 7471 1 12 . 1 1 135 135 GLU H H 135 8.501 8.501 7.916 0.585 25437 7472 1 12 . 1 1 136 136 LEU N N 136 119.357 119.357 122.332 -2.975 25437 7473 1 12 . 1 1 136 136 LEU HA H 136 4.432 4.432 4.254 0.178 25437 7474 1 12 . 1 1 136 136 LEU CA C 136 54.772 54.772 55.800 -1.028 25437 7475 1 12 . 1 1 136 136 LEU CB C 136 42.524 42.524 41.614 0.910 25437 7476 1 12 . 1 1 136 136 LEU H H 136 8.280 8.280 8.526 -0.246 25437 7477 1 13 . 1 1 3 3 PHE N N 3 121.785 121.785 126.955 -5.170 25437 7478 1 13 . 1 1 3 3 PHE HA H 3 4.792 4.792 4.119 0.673 25437 7479 1 13 . 1 1 3 3 PHE CA C 3 56.407 56.407 59.176 -2.769 25437 7480 1 13 . 1 1 3 3 PHE CB C 3 40.111 40.111 39.617 0.494 25437 7481 1 13 . 1 1 3 3 PHE H H 3 8.534 8.534 8.103 0.431 25437 7482 1 13 . 1 1 4 4 LYS N N 4 119.409 119.409 121.887 -2.478 25437 7483 1 13 . 1 1 4 4 LYS HA H 4 4.452 4.452 4.000 0.452 25437 7484 1 13 . 1 1 4 4 LYS CA C 4 54.774 54.774 53.749 1.025 25437 7485 1 13 . 1 1 4 4 LYS CB C 4 35.710 35.710 35.016 0.694 25437 7486 1 13 . 1 1 4 4 LYS H H 4 8.367 8.367 6.944 1.423 25437 7487 1 13 . 1 1 5 5 PHE N N 5 124.495 124.495 120.208 4.287 25437 7488 1 13 . 1 1 5 5 PHE HA H 5 4.873 4.873 4.396 0.477 25437 7489 1 13 . 1 1 5 5 PHE CA C 5 58.636 58.636 57.212 1.424 25437 7490 1 13 . 1 1 5 5 PHE CB C 5 39.217 39.217 38.315 0.902 25437 7491 1 13 . 1 1 5 5 PHE H H 5 8.603 8.603 7.702 0.901 25437 7492 1 13 . 1 1 6 6 GLY N N 6 108.622 108.622 109.851 -1.229 25437 7493 1 13 . 1 1 6 6 GLY CA C 6 43.819 43.819 44.112 -0.293 25437 7494 1 13 . 1 1 6 6 GLY H H 6 8.559 8.559 7.936 0.623 25437 7495 1 13 . 1 1 7 7 LYS N N 7 119.341 119.341 120.094 -0.753 25437 7496 1 13 . 1 1 7 7 LYS HA H 7 3.958 3.958 3.922 0.036 25437 7497 1 13 . 1 1 7 7 LYS CA C 7 60.087 60.087 59.446 0.641 25437 7498 1 13 . 1 1 7 7 LYS CB C 7 32.399 32.399 32.410 -0.011 25437 7499 1 13 . 1 1 7 7 LYS H H 7 8.692 8.692 8.723 -0.030 25437 7500 1 13 . 1 1 8 8 ASN N N 8 118.555 118.555 115.740 2.815 25437 7501 1 13 . 1 1 8 8 ASN HA H 8 4.551 4.551 4.620 -0.069 25437 7502 1 13 . 1 1 8 8 ASN CA C 8 56.776 56.776 55.635 1.141 25437 7503 1 13 . 1 1 8 8 ASN CB C 8 36.961 36.961 37.541 -0.581 25437 7504 1 13 . 1 1 8 8 ASN H H 8 9.185 9.185 8.314 0.871 25437 7505 1 13 . 1 1 9 9 SER N N 9 118.632 118.632 117.897 0.735 25437 7506 1 13 . 1 1 9 9 SER HA H 9 4.283 4.283 4.399 -0.116 25437 7507 1 13 . 1 1 9 9 SER CA C 9 62.790 62.790 61.945 0.845 25437 7508 1 13 . 1 1 9 9 SER CB C 9 62.790 62.790 62.610 0.180 25437 7509 1 13 . 1 1 9 9 SER H H 9 8.076 8.076 8.010 0.066 25437 7510 1 13 . 1 1 10 10 GLU N N 10 120.882 120.882 119.614 1.268 25437 7511 1 13 . 1 1 10 10 GLU HA H 10 3.977 3.977 3.946 0.031 25437 7512 1 13 . 1 1 10 10 GLU CA C 10 59.409 59.409 59.719 -0.310 25437 7513 1 13 . 1 1 10 10 GLU CB C 10 28.556 28.556 29.051 -0.495 25437 7514 1 13 . 1 1 10 10 GLU H H 10 8.351 8.351 8.718 -0.367 25437 7515 1 13 . 1 1 11 11 LYS N N 11 120.030 120.030 119.477 0.553 25437 7516 1 13 . 1 1 11 11 LYS HA H 11 4.056 4.056 4.120 -0.064 25437 7517 1 13 . 1 1 11 11 LYS CA C 11 59.477 59.477 58.568 0.909 25437 7518 1 13 . 1 1 11 11 LYS CB C 11 32.032 32.032 32.434 -0.403 25437 7519 1 13 . 1 1 11 11 LYS H H 11 7.937 7.937 7.572 0.365 25437 7520 1 13 . 1 1 12 12 GLN N N 12 114.749 114.749 119.309 -4.560 25437 7521 1 13 . 1 1 12 12 GLN HA H 12 4.147 4.147 4.085 0.062 25437 7522 1 13 . 1 1 12 12 GLN CA C 12 57.373 57.373 58.910 -1.537 25437 7523 1 13 . 1 1 12 12 GLN CB C 12 28.511 28.511 28.733 -0.222 25437 7524 1 13 . 1 1 12 12 GLN H H 12 7.562 7.562 7.975 -0.413 25437 7525 1 13 . 1 1 13 13 LEU N N 13 121.751 121.751 118.500 3.251 25437 7526 1 13 . 1 1 13 13 LEU HA H 13 3.880 3.880 4.215 -0.335 25437 7527 1 13 . 1 1 13 13 LEU CA C 13 57.080 57.080 56.191 0.889 25437 7528 1 13 . 1 1 13 13 LEU CB C 13 42.413 42.413 40.295 2.118 25437 7529 1 13 . 1 1 13 13 LEU H H 13 8.725 8.725 8.188 0.537 25437 7530 1 13 . 1 1 14 14 ALA N N 14 116.323 116.323 120.354 -4.031 25437 7531 1 13 . 1 1 14 14 ALA HA H 14 4.070 4.070 4.466 -0.396 25437 7532 1 13 . 1 1 14 14 ALA CA C 14 53.706 53.706 54.075 -0.369 25437 7533 1 13 . 1 1 14 14 ALA CB C 14 18.020 18.020 18.889 -0.869 25437 7534 1 13 . 1 1 14 14 ALA H H 14 7.574 7.574 7.668 -0.094 25437 7535 1 13 . 1 1 15 15 THR N N 15 104.034 104.034 110.319 -6.285 25437 7536 1 13 . 1 1 15 15 THR HA H 15 4.431 4.431 4.446 -0.015 25437 7537 1 13 . 1 1 15 15 THR CA C 15 62.381 62.381 61.097 1.284 25437 7538 1 13 . 1 1 15 15 THR CB C 15 70.327 70.327 70.122 0.205 25437 7539 1 13 . 1 1 15 15 THR H H 15 7.326 7.326 7.439 -0.113 25437 7540 1 13 . 1 1 16 16 VAL N N 16 112.438 112.438 122.629 -10.191 25437 7541 1 13 . 1 1 16 16 VAL HA H 16 4.922 4.922 3.873 1.049 25437 7542 1 13 . 1 1 16 16 VAL CA C 16 59.661 59.661 62.714 -3.053 25437 7543 1 13 . 1 1 16 16 VAL CB C 16 32.989 32.989 32.593 0.396 25437 7544 1 13 . 1 1 16 16 VAL H H 16 7.164 7.164 7.348 -0.184 25437 7545 1 13 . 1 1 17 17 LYS N N 17 120.729 120.729 128.573 -7.844 25437 7546 1 13 . 1 1 17 17 LYS HA H 17 4.230 4.230 4.343 -0.113 25437 7547 1 13 . 1 1 17 17 LYS CA C 17 55.486 55.486 58.229 -2.743 25437 7548 1 13 . 1 1 17 17 LYS CB C 17 32.079 32.079 31.126 0.953 25437 7549 1 13 . 1 1 17 17 LYS H H 17 8.907 8.907 8.441 0.466 25437 7550 1 13 . 1 1 18 18 PRO HA H 18 4.130 4.130 4.460 -0.330 25437 7551 1 13 . 1 1 18 18 PRO CA C 18 65.813 65.813 62.971 2.842 25437 7552 1 13 . 1 1 18 18 PRO CB C 18 31.864 31.864 32.033 -0.169 25437 7553 1 13 . 1 1 19 19 GLU N N 19 117.608 117.608 118.076 -0.468 25437 7554 1 13 . 1 1 19 19 GLU HA H 19 4.011 4.011 4.411 -0.400 25437 7555 1 13 . 1 1 19 19 GLU CA C 19 61.031 61.031 56.473 4.558 25437 7556 1 13 . 1 1 19 19 GLU CB C 19 29.117 29.117 29.071 0.046 25437 7557 1 13 . 1 1 19 19 GLU H H 19 9.714 9.714 8.699 1.015 25437 7558 1 13 . 1 1 20 20 LEU N N 20 117.938 117.938 118.263 -0.325 25437 7559 1 13 . 1 1 20 20 LEU HA H 20 4.258 4.258 4.011 0.247 25437 7560 1 13 . 1 1 20 20 LEU CA C 20 56.261 56.261 57.973 -1.712 25437 7561 1 13 . 1 1 20 20 LEU CB C 20 41.894 41.894 40.753 1.141 25437 7562 1 13 . 1 1 20 20 LEU H H 20 7.188 7.188 7.777 -0.589 25437 7563 1 13 . 1 1 21 21 GLN N N 21 118.367 118.367 118.197 0.170 25437 7564 1 13 . 1 1 21 21 GLN HA H 21 3.831 3.831 3.935 -0.104 25437 7565 1 13 . 1 1 21 21 GLN CA C 21 60.100 60.100 58.613 1.487 25437 7566 1 13 . 1 1 21 21 GLN CB C 21 27.745 27.745 27.658 0.087 25437 7567 1 13 . 1 1 21 21 GLN H H 21 7.805 7.805 8.638 -0.833 25437 7568 1 13 . 1 1 22 22 LYS N N 22 116.715 116.715 120.064 -3.349 25437 7569 1 13 . 1 1 22 22 LYS HA H 22 3.962 3.962 3.983 -0.021 25437 7570 1 13 . 1 1 22 22 LYS CA C 22 59.816 59.816 59.349 0.467 25437 7571 1 13 . 1 1 22 22 LYS CB C 22 32.520 32.520 32.042 0.478 25437 7572 1 13 . 1 1 22 22 LYS H H 22 8.143 8.143 7.660 0.483 25437 7573 1 13 . 1 1 23 23 VAL N N 23 118.397 118.397 119.560 -1.163 25437 7574 1 13 . 1 1 23 23 VAL HA H 23 3.591 3.591 3.533 0.058 25437 7575 1 13 . 1 1 23 23 VAL CA C 23 66.313 66.313 66.122 0.191 25437 7576 1 13 . 1 1 23 23 VAL CB C 23 31.529 31.529 31.201 0.328 25437 7577 1 13 . 1 1 23 23 VAL H H 23 7.715 7.715 7.527 0.188 25437 7578 1 13 . 1 1 24 24 ALA N N 24 121.929 121.929 121.871 0.058 25437 7579 1 13 . 1 1 24 24 ALA HA H 24 4.024 4.024 3.433 0.591 25437 7580 1 13 . 1 1 24 24 ALA CA C 24 55.444 55.444 55.351 0.093 25437 7581 1 13 . 1 1 24 24 ALA CB C 24 18.086 18.086 18.370 -0.284 25437 7582 1 13 . 1 1 24 24 ALA H H 24 8.307 8.307 7.509 0.798 25437 7583 1 13 . 1 1 25 25 ARG N N 25 114.491 114.491 118.401 -3.910 25437 7584 1 13 . 1 1 25 25 ARG HA H 25 4.114 4.114 4.271 -0.157 25437 7585 1 13 . 1 1 25 25 ARG CA C 25 60.717 60.717 59.966 0.751 25437 7586 1 13 . 1 1 25 25 ARG CB C 25 29.257 29.257 30.262 -1.005 25437 7587 1 13 . 1 1 25 25 ARG H H 25 8.224 8.224 8.300 -0.076 25437 7588 1 13 . 1 1 26 26 ARG N N 26 119.944 119.944 118.911 1.033 25437 7589 1 13 . 1 1 26 26 ARG HA H 26 4.223 4.223 3.993 0.230 25437 7590 1 13 . 1 1 26 26 ARG CA C 26 57.097 57.097 59.349 -2.252 25437 7591 1 13 . 1 1 26 26 ARG CB C 26 28.888 28.888 30.196 -1.308 25437 7592 1 13 . 1 1 26 26 ARG H H 26 7.703 7.703 8.119 -0.416 25437 7593 1 13 . 1 1 27 27 ALA N N 27 122.041 122.041 122.774 -0.733 25437 7594 1 13 . 1 1 27 27 ALA HA H 27 3.611 3.611 3.904 -0.293 25437 7595 1 13 . 1 1 27 27 ALA CA C 27 55.249 55.249 55.035 0.214 25437 7596 1 13 . 1 1 27 27 ALA CB C 27 15.829 15.829 17.748 -1.919 25437 7597 1 13 . 1 1 27 27 ALA H H 27 8.754 8.754 8.271 0.483 25437 7598 1 13 . 1 1 28 28 LEU N N 28 117.421 117.421 118.358 -0.937 25437 7599 1 13 . 1 1 28 28 LEU HA H 28 4.053 4.053 4.316 -0.263 25437 7600 1 13 . 1 1 28 28 LEU CA C 28 57.757 57.757 58.235 -0.478 25437 7601 1 13 . 1 1 28 28 LEU CB C 28 40.351 40.351 42.170 -1.819 25437 7602 1 13 . 1 1 28 28 LEU H H 28 7.657 7.657 8.101 -0.444 25437 7603 1 13 . 1 1 29 29 GLU N N 29 114.911 114.911 117.960 -3.049 25437 7604 1 13 . 1 1 29 29 GLU HA H 29 4.023 4.023 4.154 -0.131 25437 7605 1 13 . 1 1 29 29 GLU CA C 29 58.489 58.489 58.106 0.383 25437 7606 1 13 . 1 1 29 29 GLU CB C 29 29.540 29.540 30.132 -0.592 25437 7607 1 13 . 1 1 29 29 GLU H H 29 7.039 7.039 7.507 -0.468 25437 7608 1 13 . 1 1 30 30 LEU N N 30 117.166 117.166 118.836 -1.670 25437 7609 1 13 . 1 1 30 30 LEU HA H 30 4.281 4.281 4.014 0.267 25437 7610 1 13 . 1 1 30 30 LEU CA C 30 55.266 55.266 56.750 -1.484 25437 7611 1 13 . 1 1 30 30 LEU CB C 30 44.403 44.403 42.362 2.041 25437 7612 1 13 . 1 1 30 30 LEU H H 30 7.353 7.353 8.202 -0.849 25437 7613 1 13 . 1 1 31 31 SER N N 31 116.260 116.260 114.523 1.737 25437 7614 1 13 . 1 1 31 31 SER HA H 31 4.557 4.557 4.308 0.249 25437 7615 1 13 . 1 1 31 31 SER CA C 31 55.723 55.723 57.511 -1.788 25437 7616 1 13 . 1 1 31 31 SER CB C 31 65.560 65.560 64.300 1.260 25437 7617 1 13 . 1 1 31 31 SER H H 31 7.742 7.742 7.966 -0.224 25437 7618 1 13 . 1 1 32 32 PRO HA H 32 4.609 4.609 4.220 0.389 25437 7619 1 13 . 1 1 32 32 PRO CA C 32 63.483 63.483 63.885 -0.402 25437 7620 1 13 . 1 1 32 32 PRO CB C 32 31.236 31.236 31.552 -0.316 25437 7621 1 13 . 1 1 33 33 TYR N N 33 114.714 114.714 118.128 -3.414 25437 7622 1 13 . 1 1 33 33 TYR HA H 33 4.710 4.710 4.720 -0.010 25437 7623 1 13 . 1 1 33 33 TYR CA C 33 56.742 56.742 56.787 -0.045 25437 7624 1 13 . 1 1 33 33 TYR CB C 33 41.506 41.506 39.710 1.796 25437 7625 1 13 . 1 1 33 33 TYR H H 33 7.727 7.727 7.533 0.194 25437 7626 1 13 . 1 1 34 34 ASP N N 34 125.197 125.197 119.121 6.076 25437 7627 1 13 . 1 1 34 34 ASP HA H 34 3.524 3.524 4.721 -1.197 25437 7628 1 13 . 1 1 34 34 ASP CA C 34 52.353 52.353 55.553 -3.200 25437 7629 1 13 . 1 1 34 34 ASP CB C 34 37.720 37.720 42.183 -4.463 25437 7630 1 13 . 1 1 34 34 ASP H H 34 8.630 8.630 8.836 -0.206 25437 7631 1 13 . 1 1 35 35 PHE N N 35 115.803 115.803 114.012 1.791 25437 7632 1 13 . 1 1 35 35 PHE HA H 35 5.131 5.131 5.559 -0.428 25437 7633 1 13 . 1 1 35 35 PHE CA C 35 55.839 55.839 56.477 -0.638 25437 7634 1 13 . 1 1 35 35 PHE CB C 35 40.751 40.751 43.279 -2.528 25437 7635 1 13 . 1 1 35 35 PHE H H 35 7.250 7.250 8.188 -0.938 25437 7636 1 13 . 1 1 36 36 THR N N 36 113.338 113.338 117.230 -3.892 25437 7637 1 13 . 1 1 36 36 THR HA H 36 4.769 4.769 4.483 0.286 25437 7638 1 13 . 1 1 36 36 THR CA C 36 58.833 58.833 60.255 -1.422 25437 7639 1 13 . 1 1 36 36 THR CB C 36 71.387 71.387 69.733 1.654 25437 7640 1 13 . 1 1 36 36 THR H H 36 9.026 9.026 8.790 0.236 25437 7641 1 13 . 1 1 37 37 ILE N N 37 124.219 124.219 127.752 -3.533 25437 7642 1 13 . 1 1 37 37 ILE HA H 37 4.676 4.676 4.538 0.138 25437 7643 1 13 . 1 1 37 37 ILE CA C 37 58.395 58.395 61.087 -2.692 25437 7644 1 13 . 1 1 37 37 ILE CB C 37 34.649 34.649 38.476 -3.827 25437 7645 1 13 . 1 1 37 37 ILE H H 37 8.476 8.476 9.021 -0.545 25437 7646 1 13 . 1 1 38 38 VAL N N 38 124.271 124.271 126.032 -1.761 25437 7647 1 13 . 1 1 38 38 VAL HA H 38 3.981 3.981 4.207 -0.226 25437 7648 1 13 . 1 1 38 38 VAL CA C 38 63.144 63.144 63.555 -0.411 25437 7649 1 13 . 1 1 38 38 VAL CB C 38 32.658 32.658 32.934 -0.276 25437 7650 1 13 . 1 1 38 38 VAL H H 38 8.640 8.640 8.604 0.036 25437 7651 1 13 . 1 1 39 39 GLN N N 39 115.210 115.210 116.885 -1.675 25437 7652 1 13 . 1 1 39 39 GLN HA H 39 4.378 4.378 4.804 -0.426 25437 7653 1 13 . 1 1 39 39 GLN CA C 39 56.197 56.197 54.739 1.458 25437 7654 1 13 . 1 1 39 39 GLN CB C 39 33.463 33.463 32.188 1.275 25437 7655 1 13 . 1 1 39 39 GLN H H 39 7.305 7.305 7.666 -0.361 25437 7656 1 13 . 1 1 40 40 GLY N N 40 116.022 116.022 108.983 7.039 25437 7657 1 13 . 1 1 40 40 GLY CA C 40 45.347 45.347 45.783 -0.436 25437 7658 1 13 . 1 1 40 40 GLY H H 40 8.851 8.851 8.579 0.272 25437 7659 1 13 . 1 1 41 41 ILE N N 41 132.358 132.358 120.732 11.626 25437 7660 1 13 . 1 1 41 41 ILE HA H 41 4.715 4.715 4.589 0.126 25437 7661 1 13 . 1 1 41 41 ILE CA C 41 61.575 61.575 58.932 2.643 25437 7662 1 13 . 1 1 41 41 ILE CB C 41 38.774 38.774 41.648 -2.874 25437 7663 1 13 . 1 1 41 41 ILE H H 41 8.776 8.776 7.864 0.912 25437 7664 1 13 . 1 1 42 42 ARG N N 42 123.358 123.358 125.315 -1.957 25437 7665 1 13 . 1 1 42 42 ARG HA H 42 4.725 4.725 4.602 0.123 25437 7666 1 13 . 1 1 42 42 ARG CA C 42 54.576 54.576 55.887 -1.311 25437 7667 1 13 . 1 1 42 42 ARG CB C 42 33.425 33.425 31.692 1.733 25437 7668 1 13 . 1 1 42 42 ARG H H 42 7.154 7.154 8.407 -1.253 25437 7669 1 13 . 1 1 43 43 THR N N 43 115.494 115.494 116.949 -1.455 25437 7670 1 13 . 1 1 43 43 THR HA H 43 4.539 4.539 4.706 -0.167 25437 7671 1 13 . 1 1 43 43 THR CA C 43 61.022 61.022 60.491 0.531 25437 7672 1 13 . 1 1 43 43 THR CB C 43 70.577 70.577 69.978 0.599 25437 7673 1 13 . 1 1 43 43 THR H H 43 8.519 8.519 8.302 0.217 25437 7674 1 13 . 1 1 44 44 VAL N N 44 121.526 121.526 116.619 4.907 25437 7675 1 13 . 1 1 44 44 VAL HA H 44 3.956 3.956 4.187 -0.231 25437 7676 1 13 . 1 1 44 44 VAL CA C 44 63.977 63.977 63.720 0.257 25437 7677 1 13 . 1 1 44 44 VAL CB C 44 32.313 32.313 31.368 0.945 25437 7678 1 13 . 1 1 44 44 VAL H H 44 8.516 8.516 8.316 0.200 25437 7679 1 13 . 1 1 45 45 ALA N N 45 125.457 125.457 121.723 3.734 25437 7680 1 13 . 1 1 45 45 ALA HA H 45 4.260 4.260 4.505 -0.245 25437 7681 1 13 . 1 1 45 45 ALA CA C 45 53.278 53.278 53.349 -0.071 25437 7682 1 13 . 1 1 45 45 ALA CB C 45 18.641 18.641 19.106 -0.465 25437 7683 1 13 . 1 1 45 45 ALA H H 45 8.311 8.311 7.843 0.468 25437 7684 1 13 . 1 1 46 46 GLN N N 46 118.271 118.271 120.086 -1.815 25437 7685 1 13 . 1 1 46 46 GLN HA H 46 4.232 4.232 4.105 0.127 25437 7686 1 13 . 1 1 46 46 GLN CA C 46 56.717 56.717 58.669 -1.952 25437 7687 1 13 . 1 1 46 46 GLN CB C 46 28.901 28.901 28.399 0.502 25437 7688 1 13 . 1 1 46 46 GLN H H 46 8.109 8.109 8.443 -0.334 25437 7689 1 13 . 1 1 47 47 SER N N 47 116.127 116.127 115.086 1.041 25437 7690 1 13 . 1 1 47 47 SER HA H 47 4.361 4.361 4.120 0.241 25437 7691 1 13 . 1 1 47 47 SER CA C 47 59.082 59.082 61.662 -2.580 25437 7692 1 13 . 1 1 47 47 SER CB C 47 64.009 64.009 62.480 1.529 25437 7693 1 13 . 1 1 47 47 SER H H 47 8.199 8.199 7.969 0.230 25437 7694 1 13 . 1 1 48 48 ALA N N 48 124.628 124.628 124.269 0.359 25437 7695 1 13 . 1 1 48 48 ALA HA H 48 4.253 4.253 4.136 0.117 25437 7696 1 13 . 1 1 48 48 ALA CA C 48 53.325 53.325 54.500 -1.175 25437 7697 1 13 . 1 1 48 48 ALA CB C 48 18.552 18.552 18.430 0.122 25437 7698 1 13 . 1 1 48 48 ALA H H 48 8.315 8.315 8.293 0.022 25437 7699 1 13 . 1 1 49 49 GLN N N 49 119.160 119.160 118.738 0.422 25437 7700 1 13 . 1 1 49 49 GLN HA H 49 4.232 4.232 4.109 0.123 25437 7701 1 13 . 1 1 49 49 GLN CA C 49 56.850 56.850 57.690 -0.840 25437 7702 1 13 . 1 1 49 49 GLN CB C 49 28.992 28.992 28.463 0.529 25437 7703 1 13 . 1 1 49 49 GLN H H 49 8.153 8.153 7.844 0.309 25437 7704 1 13 . 1 1 50 50 ASN N N 50 119.112 119.112 119.722 -0.610 25437 7705 1 13 . 1 1 50 50 ASN HA H 50 4.660 4.660 4.417 0.243 25437 7706 1 13 . 1 1 50 50 ASN CA C 50 53.572 53.572 56.741 -3.169 25437 7707 1 13 . 1 1 50 50 ASN CB C 50 38.376 38.376 38.563 -0.187 25437 7708 1 13 . 1 1 50 50 ASN H H 50 8.205 8.205 8.107 0.098 25437 7709 1 13 . 1 1 51 51 ILE N N 51 120.639 120.639 117.005 3.634 25437 7710 1 13 . 1 1 51 51 ILE HA H 51 4.095 4.095 3.842 0.253 25437 7711 1 13 . 1 1 51 51 ILE CA C 51 61.954 61.954 63.460 -1.506 25437 7712 1 13 . 1 1 51 51 ILE CB C 51 38.414 38.414 36.813 1.601 25437 7713 1 13 . 1 1 51 51 ILE H H 51 7.939 7.939 7.375 0.564 25437 7714 1 13 . 1 1 52 52 ALA N N 52 126.459 126.459 121.447 5.012 25437 7715 1 13 . 1 1 52 52 ALA HA H 52 4.246 4.246 3.912 0.334 25437 7716 1 13 . 1 1 52 52 ALA CA C 52 53.189 53.189 54.466 -1.277 25437 7717 1 13 . 1 1 52 52 ALA CB C 52 18.453 18.453 18.351 0.102 25437 7718 1 13 . 1 1 52 52 ALA H H 52 8.251 8.251 8.099 0.152 25437 7719 1 13 . 1 1 53 53 ASN N N 53 116.801 116.801 116.746 0.055 25437 7720 1 13 . 1 1 53 53 ASN HA H 53 4.648 4.648 4.451 0.197 25437 7721 1 13 . 1 1 53 53 ASN CA C 53 53.425 53.425 55.356 -1.931 25437 7722 1 13 . 1 1 53 53 ASN CB C 53 38.600 38.600 38.934 -0.334 25437 7723 1 13 . 1 1 53 53 ASN H H 53 8.230 8.230 8.069 0.161 25437 7724 1 13 . 1 1 54 54 GLY N N 54 108.549 108.549 105.930 2.619 25437 7725 1 13 . 1 1 54 54 GLY CA C 54 45.746 45.746 45.187 0.559 25437 7726 1 13 . 1 1 54 54 GLY H H 54 8.191 8.191 7.593 0.598 25437 7727 1 13 . 1 1 55 55 THR N N 55 112.528 112.528 116.681 -4.153 25437 7728 1 13 . 1 1 55 55 THR HA H 55 4.282 4.282 4.164 0.118 25437 7729 1 13 . 1 1 55 55 THR CA C 55 62.118 62.118 61.341 0.777 25437 7730 1 13 . 1 1 55 55 THR CB C 55 69.796 69.796 69.180 0.616 25437 7731 1 13 . 1 1 55 55 THR H H 55 8.003 8.003 7.895 0.108 25437 7732 1 13 . 1 1 56 56 SER N N 56 116.986 116.986 121.832 -4.846 25437 7733 1 13 . 1 1 56 56 SER HA H 56 4.362 4.362 4.426 -0.064 25437 7734 1 13 . 1 1 56 56 SER CA C 56 58.454 58.454 60.048 -1.594 25437 7735 1 13 . 1 1 56 56 SER CB C 56 63.762 63.762 63.276 0.486 25437 7736 1 13 . 1 1 56 56 SER H H 56 8.043 8.043 8.654 -0.611 25437 7737 1 13 . 1 1 57 57 PHE N N 57 121.981 121.981 120.845 1.136 25437 7738 1 13 . 1 1 57 57 PHE HA H 57 4.579 4.579 4.355 0.224 25437 7739 1 13 . 1 1 57 57 PHE CA C 57 57.929 57.929 59.852 -1.923 25437 7740 1 13 . 1 1 57 57 PHE CB C 57 39.068 39.068 38.505 0.563 25437 7741 1 13 . 1 1 57 57 PHE H H 57 8.120 8.120 8.055 0.065 25437 7742 1 13 . 1 1 58 58 LEU N N 58 121.621 121.621 120.556 1.065 25437 7743 1 13 . 1 1 58 58 LEU HA H 58 4.174 4.174 4.385 -0.211 25437 7744 1 13 . 1 1 58 58 LEU CA C 58 55.350 55.350 53.676 1.674 25437 7745 1 13 . 1 1 58 58 LEU CB C 58 42.340 42.340 40.972 1.368 25437 7746 1 13 . 1 1 58 58 LEU H H 58 7.806 7.806 6.480 1.326 25437 7747 1 13 . 1 1 59 59 LYS N N 59 120.388 120.388 118.955 1.433 25437 7748 1 13 . 1 1 59 59 LYS HA H 59 4.230 4.230 4.044 0.186 25437 7749 1 13 . 1 1 59 59 LYS CA C 59 55.823 55.823 56.388 -0.565 25437 7750 1 13 . 1 1 59 59 LYS CB C 59 32.616 32.616 32.735 -0.119 25437 7751 1 13 . 1 1 59 59 LYS H H 59 8.068 8.068 7.316 0.752 25437 7752 1 13 . 1 1 60 60 ASP N N 60 121.094 121.094 119.864 1.230 25437 7753 1 13 . 1 1 60 60 ASP HA H 60 4.828 4.828 4.581 0.247 25437 7754 1 13 . 1 1 60 60 ASP CA C 60 53.698 53.698 54.206 -0.507 25437 7755 1 13 . 1 1 60 60 ASP CB C 60 41.652 41.652 40.444 1.208 25437 7756 1 13 . 1 1 60 60 ASP H H 60 7.959 7.959 8.721 -0.762 25437 7757 1 13 . 1 1 61 61 PRO HA H 61 4.388 4.388 4.443 -0.055 25437 7758 1 13 . 1 1 61 61 PRO CA C 61 63.263 63.263 63.023 0.240 25437 7759 1 13 . 1 1 61 61 PRO CB C 61 31.697 31.697 32.597 -0.900 25437 7760 1 13 . 1 1 62 62 SER N N 62 115.353 115.353 116.877 -1.524 25437 7761 1 13 . 1 1 62 62 SER HA H 62 4.365 4.365 4.645 -0.280 25437 7762 1 13 . 1 1 62 62 SER CA C 62 59.258 59.258 56.962 2.296 25437 7763 1 13 . 1 1 62 62 SER CB C 62 63.634 63.634 63.322 0.312 25437 7764 1 13 . 1 1 62 62 SER H H 62 8.420 8.420 8.511 -0.091 25437 7765 1 13 . 1 1 63 63 LYS N N 63 122.360 122.360 121.601 0.759 25437 7766 1 13 . 1 1 63 63 LYS HA H 63 4.266 4.266 4.390 -0.124 25437 7767 1 13 . 1 1 63 63 LYS CA C 63 56.628 56.628 57.507 -0.879 25437 7768 1 13 . 1 1 63 63 LYS CB C 63 29.327 29.327 32.673 -3.346 25437 7769 1 13 . 1 1 63 63 LYS H H 63 8.405 8.405 8.409 -0.004 25437 7770 1 13 . 1 1 65 65 LYS N N 65 125.418 125.418 119.956 5.462 25437 7771 1 13 . 1 1 65 65 LYS HA H 65 4.146 4.146 4.338 -0.192 25437 7772 1 13 . 1 1 65 65 LYS CA C 65 63.350 63.350 58.003 5.347 25437 7773 1 13 . 1 1 65 65 LYS CB C 65 31.891 31.891 32.595 -0.704 25437 7774 1 13 . 1 1 65 65 LYS H H 65 8.369 8.369 8.868 -0.499 25437 7775 1 13 . 1 1 66 66 HIS N N 66 121.236 121.236 120.239 0.997 25437 7776 1 13 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.374 0.171 25437 7777 1 13 . 1 1 66 66 HIS CA C 66 59.256 59.256 59.358 -0.103 25437 7778 1 13 . 1 1 66 66 HIS CB C 66 28.619 28.619 29.471 -0.852 25437 7779 1 13 . 1 1 66 66 HIS H H 66 8.758 8.758 8.321 0.437 25437 7780 1 13 . 1 1 67 67 ILE N N 67 120.137 120.137 119.975 0.162 25437 7781 1 13 . 1 1 67 67 ILE HA H 67 4.372 4.372 3.950 0.422 25437 7782 1 13 . 1 1 67 67 ILE CA C 67 63.961 63.961 63.954 0.007 25437 7783 1 13 . 1 1 67 67 ILE CB C 67 37.935 37.935 36.461 1.474 25437 7784 1 13 . 1 1 67 67 ILE H H 67 7.849 7.849 8.155 -0.306 25437 7785 1 13 . 1 1 68 68 THR N N 68 104.067 104.067 107.523 -3.456 25437 7786 1 13 . 1 1 68 68 THR HA H 68 4.397 4.397 4.532 -0.135 25437 7787 1 13 . 1 1 68 68 THR CA C 68 61.343 61.343 61.266 0.077 25437 7788 1 13 . 1 1 68 68 THR CB C 68 68.473 68.473 70.291 -1.818 25437 7789 1 13 . 1 1 68 68 THR H H 68 7.168 7.168 7.845 -0.677 25437 7790 1 13 . 1 1 69 69 GLY N N 69 107.308 107.308 110.637 -3.329 25437 7791 1 13 . 1 1 69 69 GLY CA C 69 46.665 46.665 46.233 0.432 25437 7792 1 13 . 1 1 69 69 GLY H H 69 7.169 7.169 7.725 -0.556 25437 7793 1 13 . 1 1 70 70 ASP N N 70 114.629 114.629 119.482 -4.853 25437 7794 1 13 . 1 1 70 70 ASP HA H 70 4.734 4.734 4.675 0.059 25437 7795 1 13 . 1 1 70 70 ASP CA C 70 54.627 54.627 54.297 0.330 25437 7796 1 13 . 1 1 70 70 ASP CB C 70 44.451 44.451 40.450 4.001 25437 7797 1 13 . 1 1 70 70 ASP H H 70 7.644 7.644 7.662 -0.018 25437 7798 1 13 . 1 1 71 71 ALA N N 71 118.917 118.917 117.424 1.493 25437 7799 1 13 . 1 1 71 71 ALA HA H 71 5.062 5.062 4.691 0.371 25437 7800 1 13 . 1 1 71 71 ALA CA C 71 51.498 51.498 51.120 0.378 25437 7801 1 13 . 1 1 71 71 ALA CB C 71 21.994 21.994 21.486 0.508 25437 7802 1 13 . 1 1 71 71 ALA H H 71 7.529 7.529 7.185 0.344 25437 7803 1 13 . 1 1 72 72 ILE N N 72 110.818 110.818 112.558 -1.740 25437 7804 1 13 . 1 1 72 72 ILE HA H 72 5.249 5.249 4.563 0.686 25437 7805 1 13 . 1 1 72 72 ILE CA C 72 58.821 58.821 60.287 -1.466 25437 7806 1 13 . 1 1 72 72 ILE CB C 72 43.709 43.709 42.000 1.709 25437 7807 1 13 . 1 1 72 72 ILE H H 72 8.449 8.449 8.470 -0.021 25437 7808 1 13 . 1 1 73 73 ASP N N 73 117.790 117.790 122.217 -4.427 25437 7809 1 13 . 1 1 73 73 ASP HA H 73 6.094 6.094 5.433 0.661 25437 7810 1 13 . 1 1 73 73 ASP CA C 73 52.090 52.090 53.142 -1.052 25437 7811 1 13 . 1 1 73 73 ASP CB C 73 42.655 42.655 44.426 -1.771 25437 7812 1 13 . 1 1 73 73 ASP H H 73 8.442 8.442 8.929 -0.487 25437 7813 1 13 . 1 1 74 74 PHE N N 74 122.479 122.479 121.714 0.765 25437 7814 1 13 . 1 1 74 74 PHE HA H 74 6.173 6.173 5.631 0.542 25437 7815 1 13 . 1 1 74 74 PHE CA C 74 54.775 54.775 56.373 -1.598 25437 7816 1 13 . 1 1 74 74 PHE CB C 74 44.115 44.115 43.438 0.677 25437 7817 1 13 . 1 1 74 74 PHE H H 74 9.463 9.463 7.711 1.752 25437 7818 1 13 . 1 1 75 75 ALA N N 75 118.862 118.862 120.773 -1.911 25437 7819 1 13 . 1 1 75 75 ALA HA H 75 4.453 4.453 4.404 0.049 25437 7820 1 13 . 1 1 75 75 ALA CA C 75 50.134 50.134 49.009 1.125 25437 7821 1 13 . 1 1 75 75 ALA CB C 75 21.020 21.020 21.851 -0.831 25437 7822 1 13 . 1 1 75 75 ALA H H 75 8.575 8.575 9.185 -0.610 25437 7823 1 13 . 1 1 76 76 PRO HA H 76 4.466 4.466 4.794 -0.328 25437 7824 1 13 . 1 1 76 76 PRO CA C 76 62.353 62.353 62.984 -0.631 25437 7825 1 13 . 1 1 76 76 PRO CB C 76 32.135 32.135 31.386 0.749 25437 7826 1 13 . 1 1 77 77 TYR N N 77 126.211 126.211 126.108 0.103 25437 7827 1 13 . 1 1 77 77 TYR HA H 77 4.835 4.835 4.479 0.356 25437 7828 1 13 . 1 1 77 77 TYR CA C 77 56.830 56.830 58.551 -1.721 25437 7829 1 13 . 1 1 77 77 TYR CB C 77 40.384 40.384 40.999 -0.615 25437 7830 1 13 . 1 1 77 77 TYR H H 77 8.357 8.357 8.718 -0.361 25437 7831 1 13 . 1 1 78 78 ILE N N 78 124.613 124.613 123.139 1.474 25437 7832 1 13 . 1 1 78 78 ILE HA H 78 4.210 4.210 4.326 -0.116 25437 7833 1 13 . 1 1 78 78 ILE CA C 78 59.941 59.941 60.867 -0.926 25437 7834 1 13 . 1 1 78 78 ILE CB C 78 40.652 40.652 41.971 -1.319 25437 7835 1 13 . 1 1 78 78 ILE H H 78 8.334 8.334 8.634 -0.300 25437 7836 1 13 . 1 1 79 79 ASN N N 79 126.361 126.361 126.285 0.076 25437 7837 1 13 . 1 1 79 79 ASN HA H 79 4.339 4.339 4.383 -0.044 25437 7838 1 13 . 1 1 79 79 ASN CA C 79 53.937 53.937 53.806 0.131 25437 7839 1 13 . 1 1 79 79 ASN CB C 79 36.887 36.887 37.790 -0.903 25437 7840 1 13 . 1 1 79 79 ASN H H 79 9.444 9.444 9.230 0.214 25437 7841 1 13 . 1 1 80 80 GLY N N 80 102.068 102.068 102.980 -0.912 25437 7842 1 13 . 1 1 80 80 GLY CA C 80 45.663 45.663 45.626 0.037 25437 7843 1 13 . 1 1 80 80 GLY H H 80 8.240 8.240 8.928 -0.688 25437 7844 1 13 . 1 1 81 81 LYS N N 81 117.260 117.260 117.586 -0.326 25437 7845 1 13 . 1 1 81 81 LYS HA H 81 4.534 4.534 4.228 0.306 25437 7846 1 13 . 1 1 81 81 LYS CA C 81 54.226 54.226 54.452 -0.226 25437 7847 1 13 . 1 1 81 81 LYS CB C 81 35.655 35.655 36.157 -0.502 25437 7848 1 13 . 1 1 81 81 LYS H H 81 7.046 7.046 7.497 -0.451 25437 7849 1 13 . 1 1 82 82 ILE N N 82 122.347 122.347 121.690 0.657 25437 7850 1 13 . 1 1 82 82 ILE HA H 82 4.091 4.091 3.434 0.657 25437 7851 1 13 . 1 1 82 82 ILE CA C 82 62.621 62.621 62.120 0.501 25437 7852 1 13 . 1 1 82 82 ILE CB C 82 37.833 37.833 37.856 -0.023 25437 7853 1 13 . 1 1 82 82 ILE H H 82 8.418 8.418 8.167 0.251 25437 7854 1 13 . 1 1 83 83 ASP N N 83 128.498 128.498 126.799 1.699 25437 7855 1 13 . 1 1 83 83 ASP HA H 83 4.808 4.808 4.735 0.073 25437 7856 1 13 . 1 1 83 83 ASP CA C 83 51.619 51.619 53.003 -1.384 25437 7857 1 13 . 1 1 83 83 ASP CB C 83 41.079 41.079 40.120 0.959 25437 7858 1 13 . 1 1 83 83 ASP H H 83 8.028 8.028 8.261 -0.233 25437 7859 1 13 . 1 1 84 84 TRP N N 84 121.807 121.807 122.691 -0.884 25437 7860 1 13 . 1 1 84 84 TRP HA H 84 4.574 4.574 4.408 0.166 25437 7861 1 13 . 1 1 84 84 TRP CA C 84 58.456 58.456 58.828 -0.372 25437 7862 1 13 . 1 1 84 84 TRP CB C 84 30.177 30.177 30.309 -0.132 25437 7863 1 13 . 1 1 84 84 TRP H H 84 8.081 8.081 8.133 -0.052 25437 7864 1 13 . 1 1 85 85 ASN N N 85 113.227 113.227 116.133 -2.906 25437 7865 1 13 . 1 1 85 85 ASN HA H 85 4.975 4.975 4.661 0.314 25437 7866 1 13 . 1 1 85 85 ASN CA C 85 53.430 53.430 54.188 -0.758 25437 7867 1 13 . 1 1 85 85 ASN CB C 85 40.162 40.162 39.006 1.156 25437 7868 1 13 . 1 1 85 85 ASN H H 85 8.386 8.386 8.207 0.179 25437 7869 1 13 . 1 1 86 86 ASP N N 86 118.821 118.821 121.667 -2.846 25437 7870 1 13 . 1 1 86 86 ASP HA H 86 4.813 4.813 4.703 0.110 25437 7871 1 13 . 1 1 86 86 ASP CA C 86 52.255 52.255 54.048 -1.793 25437 7872 1 13 . 1 1 86 86 ASP CB C 86 37.613 37.613 39.766 -2.153 25437 7873 1 13 . 1 1 86 86 ASP H H 86 7.405 7.405 8.390 -0.985 25437 7874 1 13 . 1 1 87 87 LEU N N 87 127.177 127.177 121.246 5.931 25437 7875 1 13 . 1 1 87 87 LEU HA H 87 4.055 4.055 4.434 -0.379 25437 7876 1 13 . 1 1 87 87 LEU CA C 87 58.321 58.321 57.450 0.870 25437 7877 1 13 . 1 1 87 87 LEU CB C 87 40.887 40.887 41.985 -1.098 25437 7878 1 13 . 1 1 87 87 LEU H H 87 8.274 8.274 7.894 0.380 25437 7879 1 13 . 1 1 88 88 GLU N N 88 114.132 114.132 121.177 -7.045 25437 7880 1 13 . 1 1 88 88 GLU HA H 88 3.938 3.938 3.807 0.131 25437 7881 1 13 . 1 1 88 88 GLU CA C 88 59.437 59.437 59.388 0.049 25437 7882 1 13 . 1 1 88 88 GLU CB C 88 27.987 27.987 29.167 -1.180 25437 7883 1 13 . 1 1 88 88 GLU H H 88 8.257 8.257 8.224 0.033 25437 7884 1 13 . 1 1 89 89 ALA N N 89 122.075 122.075 120.140 1.935 25437 7885 1 13 . 1 1 89 89 ALA HA H 89 3.799 3.799 4.415 -0.616 25437 7886 1 13 . 1 1 89 89 ALA CA C 89 54.703 54.703 54.403 0.300 25437 7887 1 13 . 1 1 89 89 ALA CB C 89 17.635 17.635 18.608 -0.973 25437 7888 1 13 . 1 1 89 89 ALA H H 89 7.418 7.418 7.790 -0.372 25437 7889 1 13 . 1 1 90 90 PHE N N 90 116.551 116.551 121.358 -4.807 25437 7890 1 13 . 1 1 90 90 PHE HA H 90 4.025 4.025 4.283 -0.258 25437 7891 1 13 . 1 1 90 90 PHE CA C 90 64.150 64.150 60.503 3.647 25437 7892 1 13 . 1 1 90 90 PHE CB C 90 38.965 38.965 38.895 0.070 25437 7893 1 13 . 1 1 90 90 PHE H H 90 7.777 7.777 7.611 0.166 25437 7894 1 13 . 1 1 91 91 TRP N N 91 119.390 119.390 118.857 0.533 25437 7895 1 13 . 1 1 91 91 TRP HA H 91 4.578 4.578 3.910 0.668 25437 7896 1 13 . 1 1 91 91 TRP CA C 91 59.217 59.217 61.373 -2.156 25437 7897 1 13 . 1 1 91 91 TRP CB C 91 29.802 29.802 28.288 1.514 25437 7898 1 13 . 1 1 91 91 TRP H H 91 7.821 7.821 8.530 -0.709 25437 7899 1 13 . 1 1 92 92 ALA N N 92 121.275 121.275 120.408 0.867 25437 7900 1 13 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.262 -0.138 25437 7901 1 13 . 1 1 92 92 ALA CA C 92 55.229 55.229 54.678 0.550 25437 7902 1 13 . 1 1 92 92 ALA CB C 92 18.870 18.870 18.409 0.461 25437 7903 1 13 . 1 1 92 92 ALA H H 92 8.242 8.242 7.780 0.462 25437 7904 1 13 . 1 1 93 93 VAL N N 93 120.454 120.454 118.709 1.745 25437 7905 1 13 . 1 1 93 93 VAL HA H 93 3.600 3.600 3.866 -0.266 25437 7906 1 13 . 1 1 93 93 VAL CA C 93 66.424 66.424 65.806 0.618 25437 7907 1 13 . 1 1 93 93 VAL CB C 93 30.676 30.676 32.002 -1.327 25437 7908 1 13 . 1 1 93 93 VAL H H 93 8.259 8.259 7.771 0.488 25437 7909 1 13 . 1 1 94 94 LYS N N 94 122.098 122.098 120.516 1.582 25437 7910 1 13 . 1 1 94 94 LYS HA H 94 3.690 3.690 3.806 -0.116 25437 7911 1 13 . 1 1 94 94 LYS CA C 94 60.959 60.959 59.474 1.485 25437 7912 1 13 . 1 1 94 94 LYS CB C 94 31.484 31.484 31.382 0.102 25437 7913 1 13 . 1 1 94 94 LYS H H 94 8.382 8.382 8.301 0.081 25437 7914 1 13 . 1 1 95 95 LYS N N 95 118.030 118.030 118.125 -0.095 25437 7915 1 13 . 1 1 95 95 LYS HA H 95 3.958 3.958 4.128 -0.170 25437 7916 1 13 . 1 1 95 95 LYS CA C 95 59.212 59.212 58.901 0.311 25437 7917 1 13 . 1 1 95 95 LYS CB C 95 31.219 31.219 32.081 -0.862 25437 7918 1 13 . 1 1 95 95 LYS H H 95 7.957 7.957 7.447 0.510 25437 7919 1 13 . 1 1 96 96 ALA N N 96 124.359 124.359 120.921 3.438 25437 7920 1 13 . 1 1 96 96 ALA HA H 96 4.229 4.229 4.140 0.089 25437 7921 1 13 . 1 1 96 96 ALA CA C 96 55.422 55.422 54.737 0.685 25437 7922 1 13 . 1 1 96 96 ALA CB C 96 17.148 17.148 18.095 -0.947 25437 7923 1 13 . 1 1 96 96 ALA H H 96 7.668 7.668 7.726 -0.058 25437 7924 1 13 . 1 1 97 97 PHE N N 97 117.446 117.446 119.245 -1.799 25437 7925 1 13 . 1 1 97 97 PHE HA H 97 3.883 3.883 4.074 -0.191 25437 7926 1 13 . 1 1 97 97 PHE CA C 97 63.187 63.187 62.340 0.847 25437 7927 1 13 . 1 1 97 97 PHE CB C 97 40.401 40.401 39.297 1.104 25437 7928 1 13 . 1 1 97 97 PHE H H 97 8.369 8.369 8.076 0.293 25437 7929 1 13 . 1 1 98 98 GLU N N 98 119.148 119.148 118.205 0.943 25437 7930 1 13 . 1 1 98 98 GLU HA H 98 4.140 4.140 3.997 0.143 25437 7931 1 13 . 1 1 98 98 GLU CA C 98 59.610 59.610 58.639 0.971 25437 7932 1 13 . 1 1 98 98 GLU CB C 98 29.444 29.444 29.117 0.327 25437 7933 1 13 . 1 1 98 98 GLU H H 98 8.821 8.821 8.093 0.728 25437 7934 1 13 . 1 1 99 99 GLN N N 99 120.727 120.727 118.619 2.108 25437 7935 1 13 . 1 1 99 99 GLN HA H 99 4.061 4.061 4.155 -0.094 25437 7936 1 13 . 1 1 99 99 GLN CA C 99 59.130 59.130 57.897 1.233 25437 7937 1 13 . 1 1 99 99 GLN CB C 99 27.524 27.524 28.538 -1.014 25437 7938 1 13 . 1 1 99 99 GLN H H 99 8.436 8.436 7.954 0.482 25437 7939 1 13 . 1 1 100 100 ALA N N 100 122.603 122.603 122.482 0.121 25437 7940 1 13 . 1 1 100 100 ALA HA H 100 3.886 3.886 4.058 -0.172 25437 7941 1 13 . 1 1 100 100 ALA CA C 100 55.399 55.399 54.895 0.504 25437 7942 1 13 . 1 1 100 100 ALA CB C 100 19.472 19.472 18.220 1.252 25437 7943 1 13 . 1 1 100 100 ALA H H 100 8.433 8.433 8.402 0.031 25437 7944 1 13 . 1 1 101 101 GLY N N 101 104.253 104.253 105.073 -0.820 25437 7945 1 13 . 1 1 101 101 GLY CA C 101 47.843 47.843 46.588 1.255 25437 7946 1 13 . 1 1 101 101 GLY H H 101 9.035 9.035 7.903 1.132 25437 7947 1 13 . 1 1 102 102 LYS N N 102 121.912 121.912 120.779 1.133 25437 7948 1 13 . 1 1 102 102 LYS HA H 102 4.116 4.116 4.047 0.069 25437 7949 1 13 . 1 1 102 102 LYS CA C 102 59.314 59.314 59.376 -0.062 25437 7950 1 13 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.423 -0.244 25437 7951 1 13 . 1 1 102 102 LYS H H 102 7.928 7.928 7.243 0.685 25437 7952 1 13 . 1 1 103 103 GLU N N 103 119.382 119.382 118.940 0.442 25437 7953 1 13 . 1 1 103 103 GLU HA H 103 3.989 3.989 4.107 -0.118 25437 7954 1 13 . 1 1 103 103 GLU CA C 103 59.093 59.093 58.673 0.420 25437 7955 1 13 . 1 1 103 103 GLU CB C 103 30.127 30.127 29.400 0.727 25437 7956 1 13 . 1 1 103 103 GLU H H 103 8.406 8.406 7.704 0.702 25437 7957 1 13 . 1 1 104 104 LEU N N 104 115.551 115.551 117.791 -2.240 25437 7958 1 13 . 1 1 104 104 LEU HA H 104 4.360 4.360 4.205 0.155 25437 7959 1 13 . 1 1 104 104 LEU CA C 104 55.185 55.185 55.345 -0.160 25437 7960 1 13 . 1 1 104 104 LEU CB C 104 43.105 43.105 42.056 1.049 25437 7961 1 13 . 1 1 104 104 LEU H H 104 7.999 7.999 8.253 -0.254 25437 7962 1 13 . 1 1 105 105 GLY N N 105 110.561 110.561 104.904 5.657 25437 7963 1 13 . 1 1 105 105 GLY CA C 105 46.480 46.480 45.207 1.273 25437 7964 1 13 . 1 1 105 105 GLY H H 105 7.898 7.898 7.399 0.499 25437 7965 1 13 . 1 1 106 106 ILE N N 106 121.745 121.745 121.105 0.640 25437 7966 1 13 . 1 1 106 106 ILE HA H 106 4.227 4.227 3.998 0.229 25437 7967 1 13 . 1 1 106 106 ILE CA C 106 59.717 59.717 61.206 -1.489 25437 7968 1 13 . 1 1 106 106 ILE CB C 106 41.096 41.096 38.988 2.108 25437 7969 1 13 . 1 1 106 106 ILE H H 106 8.428 8.428 7.695 0.733 25437 7970 1 13 . 1 1 107 107 LYS N N 107 127.736 127.736 127.115 0.621 25437 7971 1 13 . 1 1 107 107 LYS HA H 107 4.275 4.275 4.196 0.079 25437 7972 1 13 . 1 1 107 107 LYS CA C 107 57.224 57.224 56.864 0.360 25437 7973 1 13 . 1 1 107 107 LYS CB C 107 32.752 32.752 32.609 0.143 25437 7974 1 13 . 1 1 107 107 LYS H H 107 8.489 8.489 8.451 0.038 25437 7975 1 13 . 1 1 108 108 LEU N N 108 122.881 122.881 122.434 0.447 25437 7976 1 13 . 1 1 108 108 LEU HA H 108 5.235 5.235 4.575 0.660 25437 7977 1 13 . 1 1 108 108 LEU CA C 108 53.287 53.287 54.792 -1.505 25437 7978 1 13 . 1 1 108 108 LEU CB C 108 47.016 47.016 44.233 2.783 25437 7979 1 13 . 1 1 108 108 LEU H H 108 8.049 8.049 8.155 -0.106 25437 7980 1 13 . 1 1 109 109 ARG N N 109 120.726 120.726 123.838 -3.112 25437 7981 1 13 . 1 1 109 109 ARG HA H 109 4.438 4.438 4.112 0.326 25437 7982 1 13 . 1 1 109 109 ARG CA C 109 55.193 55.193 55.520 -0.327 25437 7983 1 13 . 1 1 109 109 ARG CB C 109 33.519 33.519 34.326 -0.807 25437 7984 1 13 . 1 1 109 109 ARG H H 109 8.736 8.736 7.835 0.901 25437 7985 1 13 . 1 1 110 110 PHE N N 110 121.516 121.516 123.633 -2.117 25437 7986 1 13 . 1 1 110 110 PHE HA H 110 5.303 5.303 4.969 0.334 25437 7987 1 13 . 1 1 110 110 PHE CA C 110 56.644 56.644 56.932 -0.288 25437 7988 1 13 . 1 1 110 110 PHE CB C 110 40.602 40.602 38.455 2.147 25437 7989 1 13 . 1 1 110 110 PHE H H 110 8.707 8.707 8.259 0.448 25437 7990 1 13 . 1 1 111 111 GLY N N 111 108.992 108.992 110.994 -2.002 25437 7991 1 13 . 1 1 111 111 GLY CA C 111 45.604 45.604 45.192 0.412 25437 7992 1 13 . 1 1 111 111 GLY H H 111 7.819 7.819 7.984 -0.165 25437 7993 1 13 . 1 1 112 112 ALA N N 112 111.448 111.448 124.768 -13.320 25437 7994 1 13 . 1 1 112 112 ALA HA H 112 3.858 3.858 4.982 -1.124 25437 7995 1 13 . 1 1 112 112 ALA CA C 112 52.083 52.083 51.744 0.339 25437 7996 1 13 . 1 1 112 112 ALA CB C 112 18.655 18.655 19.621 -0.966 25437 7997 1 13 . 1 1 112 112 ALA H H 112 7.945 7.945 8.585 -0.640 25437 7998 1 13 . 1 1 113 113 ASP N N 113 106.770 106.770 119.950 -13.180 25437 7999 1 13 . 1 1 113 113 ASP HA H 113 5.157 5.157 4.420 0.737 25437 8000 1 13 . 1 1 113 113 ASP CA C 113 52.285 52.285 57.230 -4.946 25437 8001 1 13 . 1 1 113 113 ASP CB C 113 41.465 41.465 40.821 0.644 25437 8002 1 13 . 1 1 113 113 ASP H H 113 7.000 7.000 8.646 -1.646 25437 8003 1 13 . 1 1 114 114 TRP N N 114 119.829 119.829 120.561 -0.732 25437 8004 1 13 . 1 1 114 114 TRP HA H 114 4.184 4.184 4.318 -0.134 25437 8005 1 13 . 1 1 114 114 TRP CA C 114 61.455 61.455 61.297 0.158 25437 8006 1 13 . 1 1 114 114 TRP CB C 114 26.427 26.427 29.545 -3.118 25437 8007 1 13 . 1 1 114 114 TRP H H 114 7.589 7.589 8.440 -0.851 25437 8008 1 13 . 1 1 115 115 ASN N N 115 117.900 117.900 116.385 1.515 25437 8009 1 13 . 1 1 115 115 ASN HA H 115 4.548 4.548 4.487 0.061 25437 8010 1 13 . 1 1 115 115 ASN CA C 115 55.955 55.955 55.260 0.696 25437 8011 1 13 . 1 1 115 115 ASN CB C 115 36.818 36.818 38.087 -1.269 25437 8012 1 13 . 1 1 115 115 ASN H H 115 9.503 9.503 8.580 0.923 25437 8013 1 13 . 1 1 116 116 ALA N N 116 123.758 123.758 123.418 0.340 25437 8014 1 13 . 1 1 116 116 ALA HA H 116 4.181 4.181 4.389 -0.208 25437 8015 1 13 . 1 1 116 116 ALA CA C 116 53.111 53.111 54.645 -1.534 25437 8016 1 13 . 1 1 116 116 ALA CB C 116 16.596 16.596 18.047 -1.450 25437 8017 1 13 . 1 1 116 116 ALA H H 116 8.079 8.079 8.389 -0.310 25437 8018 1 13 . 1 1 117 117 SER N N 117 116.009 116.009 113.110 2.899 25437 8019 1 13 . 1 1 117 117 SER HA H 117 4.417 4.417 4.165 0.252 25437 8020 1 13 . 1 1 117 117 SER CA C 117 59.433 59.433 60.243 -0.810 25437 8021 1 13 . 1 1 117 117 SER CB C 117 65.026 65.026 63.197 1.829 25437 8022 1 13 . 1 1 117 117 SER H H 117 9.460 9.460 7.611 1.849 25437 8023 1 13 . 1 1 118 118 GLY N N 118 115.031 115.031 106.298 8.733 25437 8024 1 13 . 1 1 118 118 GLY CA C 118 45.197 45.197 45.105 0.092 25437 8025 1 13 . 1 1 118 118 GLY H H 118 10.733 10.733 7.761 2.972 25437 8026 1 13 . 1 1 119 119 ASP N N 119 116.435 116.435 120.395 -3.960 25437 8027 1 13 . 1 1 119 119 ASP HA H 119 4.590 4.590 4.558 0.032 25437 8028 1 13 . 1 1 119 119 ASP CA C 119 53.181 53.181 54.493 -1.312 25437 8029 1 13 . 1 1 119 119 ASP CB C 119 43.864 43.864 43.109 0.755 25437 8030 1 13 . 1 1 119 119 ASP H H 119 7.770 7.770 8.254 -0.484 25437 8031 1 13 . 1 1 120 120 TYR N N 120 120.253 120.253 121.606 -1.353 25437 8032 1 13 . 1 1 120 120 TYR HA H 120 6.088 6.088 4.930 1.158 25437 8033 1 13 . 1 1 120 120 TYR CA C 120 56.003 56.003 56.328 -0.325 25437 8034 1 13 . 1 1 120 120 TYR CB C 120 40.371 40.371 38.412 1.959 25437 8035 1 13 . 1 1 120 120 TYR H H 120 6.801 6.801 7.730 -0.929 25437 8036 1 13 . 1 1 121 121 HIS HA H 121 4.537 4.537 4.691 -0.154 25437 8037 1 13 . 1 1 121 121 HIS CA C 121 59.002 59.002 55.300 3.702 25437 8038 1 13 . 1 1 121 121 HIS CB C 121 27.950 27.950 29.999 -2.049 25437 8039 1 13 . 1 1 122 122 ASP N N 122 111.622 111.622 118.776 -7.154 25437 8040 1 13 . 1 1 122 122 ASP HA H 122 4.815 4.815 4.522 0.293 25437 8041 1 13 . 1 1 122 122 ASP CA C 122 51.612 51.612 55.298 -3.686 25437 8042 1 13 . 1 1 122 122 ASP CB C 122 36.980 36.980 40.517 -3.537 25437 8043 1 13 . 1 1 122 122 ASP H H 122 8.154 8.154 8.391 -0.237 25437 8044 1 13 . 1 1 124 124 ILE N N 124 119.763 119.763 113.719 6.044 25437 8045 1 13 . 1 1 124 124 ILE HA H 124 3.843 3.843 3.789 0.054 25437 8046 1 13 . 1 1 124 124 ILE CA C 124 64.714 64.714 63.887 0.827 25437 8047 1 13 . 1 1 124 124 ILE CB C 124 36.859 36.859 37.413 -0.554 25437 8048 1 13 . 1 1 124 124 ILE H H 124 7.639 7.639 8.454 -0.815 25437 8049 1 13 . 1 1 125 125 LYS N N 125 121.010 121.010 118.648 2.362 25437 8050 1 13 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.117 -0.008 25437 8051 1 13 . 1 1 125 125 LYS CA C 125 59.241 59.241 58.813 0.428 25437 8052 1 13 . 1 1 125 125 LYS CB C 125 31.985 31.985 32.147 -0.162 25437 8053 1 13 . 1 1 125 125 LYS H H 125 7.739 7.739 7.970 -0.231 25437 8054 1 13 . 1 1 126 126 ARG N N 126 115.276 115.276 118.852 -3.576 25437 8055 1 13 . 1 1 126 126 ARG HA H 126 4.338 4.338 4.381 -0.043 25437 8056 1 13 . 1 1 126 126 ARG CA C 126 57.189 57.189 55.716 1.473 25437 8057 1 13 . 1 1 126 126 ARG CB C 126 31.015 31.015 31.060 -0.045 25437 8058 1 13 . 1 1 126 126 ARG H H 126 7.904 7.904 7.955 -0.051 25437 8059 1 13 . 1 1 127 127 GLY N N 127 107.767 107.767 109.021 -1.254 25437 8060 1 13 . 1 1 127 127 GLY CA C 127 45.822 45.822 45.570 0.252 25437 8061 1 13 . 1 1 127 127 GLY H H 127 7.912 7.912 7.890 0.022 25437 8062 1 13 . 1 1 128 128 THR N N 128 107.570 107.570 113.046 -5.476 25437 8063 1 13 . 1 1 128 128 THR HA H 128 4.252 4.252 4.735 -0.483 25437 8064 1 13 . 1 1 128 128 THR CA C 128 60.620 60.620 59.751 0.869 25437 8065 1 13 . 1 1 128 128 THR CB C 128 69.224 69.224 71.170 -1.946 25437 8066 1 13 . 1 1 128 128 THR H H 128 8.121 8.121 7.380 0.741 25437 8067 1 13 . 1 1 129 129 TYR N N 129 123.143 123.143 125.309 -2.166 25437 8068 1 13 . 1 1 129 129 TYR HA H 129 4.173 4.173 4.646 -0.473 25437 8069 1 13 . 1 1 129 129 TYR CA C 129 61.448 61.448 56.363 5.085 25437 8070 1 13 . 1 1 129 129 TYR CB C 129 38.796 38.796 38.416 0.380 25437 8071 1 13 . 1 1 129 129 TYR H H 129 7.209 7.209 8.820 -1.611 25437 8072 1 13 . 1 1 130 130 ASP N N 130 117.930 117.930 121.947 -4.017 25437 8073 1 13 . 1 1 130 130 ASP HA H 130 4.641 4.641 3.824 0.817 25437 8074 1 13 . 1 1 130 130 ASP CA C 130 53.440 53.440 56.041 -2.601 25437 8075 1 13 . 1 1 130 130 ASP CB C 130 43.221 43.221 40.686 2.535 25437 8076 1 13 . 1 1 130 130 ASP H H 130 8.216 8.216 8.119 0.097 25437 8077 1 13 . 1 1 132 132 GLY N N 132 107.481 107.481 108.330 -0.849 25437 8078 1 13 . 1 1 132 132 GLY CA C 132 44.013 44.013 45.507 -1.494 25437 8079 1 13 . 1 1 132 132 GLY H H 132 8.304 8.304 7.194 1.109 25437 8080 1 13 . 1 1 133 133 HIS N N 133 117.609 117.609 123.468 -5.859 25437 8081 1 13 . 1 1 133 133 HIS HA H 133 5.430 5.430 5.233 0.197 25437 8082 1 13 . 1 1 133 133 HIS CA C 133 57.155 57.155 55.253 1.902 25437 8083 1 13 . 1 1 133 133 HIS CB C 133 31.667 31.667 33.959 -2.292 25437 8084 1 13 . 1 1 133 133 HIS H H 133 6.942 6.942 7.421 -0.479 25437 8085 1 13 . 1 1 134 134 VAL N N 134 133.201 133.201 118.115 15.086 25437 8086 1 13 . 1 1 134 134 VAL HA H 134 4.254 4.254 4.732 -0.478 25437 8087 1 13 . 1 1 134 134 VAL CA C 134 61.676 61.676 60.437 1.239 25437 8088 1 13 . 1 1 134 134 VAL CB C 134 34.775 34.775 34.850 -0.075 25437 8089 1 13 . 1 1 134 134 VAL H H 134 9.127 9.127 8.606 0.521 25437 8090 1 13 . 1 1 135 135 GLU N N 135 119.904 119.904 124.427 -4.523 25437 8091 1 13 . 1 1 135 135 GLU HA H 135 5.458 5.458 4.711 0.747 25437 8092 1 13 . 1 1 135 135 GLU CA C 135 52.126 52.126 53.574 -1.448 25437 8093 1 13 . 1 1 135 135 GLU CB C 135 34.550 34.550 33.425 1.125 25437 8094 1 13 . 1 1 135 135 GLU H H 135 8.501 8.501 7.872 0.629 25437 8095 1 13 . 1 1 136 136 LEU N N 136 119.357 119.357 120.963 -1.606 25437 8096 1 13 . 1 1 136 136 LEU HA H 136 4.432 4.432 4.325 0.107 25437 8097 1 13 . 1 1 136 136 LEU CA C 136 54.772 54.772 55.734 -0.962 25437 8098 1 13 . 1 1 136 136 LEU CB C 136 42.524 42.524 42.253 0.271 25437 8099 1 13 . 1 1 136 136 LEU H H 136 8.280 8.280 7.884 0.396 25437 8100 1 14 . 1 1 3 3 PHE N N 3 121.785 121.785 127.227 -5.442 25437 8101 1 14 . 1 1 3 3 PHE HA H 3 4.792 4.792 4.087 0.705 25437 8102 1 14 . 1 1 3 3 PHE CA C 3 56.407 56.407 59.186 -2.779 25437 8103 1 14 . 1 1 3 3 PHE CB C 3 40.111 40.111 39.390 0.721 25437 8104 1 14 . 1 1 3 3 PHE H H 3 8.534 8.534 8.641 -0.107 25437 8105 1 14 . 1 1 4 4 LYS N N 4 119.409 119.409 123.595 -4.186 25437 8106 1 14 . 1 1 4 4 LYS HA H 4 4.452 4.452 4.099 0.353 25437 8107 1 14 . 1 1 4 4 LYS CA C 4 54.774 54.774 54.035 0.739 25437 8108 1 14 . 1 1 4 4 LYS CB C 4 35.710 35.710 35.127 0.583 25437 8109 1 14 . 1 1 4 4 LYS H H 4 8.367 8.367 7.421 0.946 25437 8110 1 14 . 1 1 5 5 PHE N N 5 124.495 124.495 120.157 4.338 25437 8111 1 14 . 1 1 5 5 PHE HA H 5 4.873 4.873 4.462 0.411 25437 8112 1 14 . 1 1 5 5 PHE CA C 5 58.636 58.636 57.225 1.411 25437 8113 1 14 . 1 1 5 5 PHE CB C 5 39.217 39.217 37.795 1.422 25437 8114 1 14 . 1 1 5 5 PHE H H 5 8.603 8.603 7.922 0.681 25437 8115 1 14 . 1 1 6 6 GLY N N 6 108.622 108.622 112.202 -3.580 25437 8116 1 14 . 1 1 6 6 GLY CA C 6 43.819 43.819 44.556 -0.737 25437 8117 1 14 . 1 1 6 6 GLY H H 6 8.559 8.559 8.096 0.463 25437 8118 1 14 . 1 1 7 7 LYS N N 7 119.341 119.341 120.519 -1.178 25437 8119 1 14 . 1 1 7 7 LYS HA H 7 3.958 3.958 4.027 -0.069 25437 8120 1 14 . 1 1 7 7 LYS CA C 7 60.087 60.087 59.493 0.594 25437 8121 1 14 . 1 1 7 7 LYS CB C 7 32.399 32.399 32.374 0.025 25437 8122 1 14 . 1 1 7 7 LYS H H 7 8.692 8.692 8.645 0.047 25437 8123 1 14 . 1 1 8 8 ASN N N 8 118.555 118.555 116.704 1.851 25437 8124 1 14 . 1 1 8 8 ASN HA H 8 4.551 4.551 4.656 -0.105 25437 8125 1 14 . 1 1 8 8 ASN CA C 8 56.776 56.776 55.990 0.786 25437 8126 1 14 . 1 1 8 8 ASN CB C 8 36.961 36.961 38.084 -1.123 25437 8127 1 14 . 1 1 8 8 ASN H H 8 9.185 9.185 8.648 0.537 25437 8128 1 14 . 1 1 9 9 SER N N 9 118.632 118.632 117.713 0.919 25437 8129 1 14 . 1 1 9 9 SER HA H 9 4.283 4.283 4.334 -0.051 25437 8130 1 14 . 1 1 9 9 SER CA C 9 62.790 62.790 61.748 1.042 25437 8131 1 14 . 1 1 9 9 SER CB C 9 62.790 62.790 62.843 -0.053 25437 8132 1 14 . 1 1 9 9 SER H H 9 8.076 8.076 7.945 0.131 25437 8133 1 14 . 1 1 10 10 GLU N N 10 120.882 120.882 120.838 0.044 25437 8134 1 14 . 1 1 10 10 GLU HA H 10 3.977 3.977 4.143 -0.166 25437 8135 1 14 . 1 1 10 10 GLU CA C 10 59.409 59.409 59.227 0.182 25437 8136 1 14 . 1 1 10 10 GLU CB C 10 28.556 28.556 29.341 -0.785 25437 8137 1 14 . 1 1 10 10 GLU H H 10 8.351 8.351 8.440 -0.089 25437 8138 1 14 . 1 1 11 11 LYS N N 11 120.030 120.030 118.778 1.252 25437 8139 1 14 . 1 1 11 11 LYS HA H 11 4.056 4.056 4.124 -0.068 25437 8140 1 14 . 1 1 11 11 LYS CA C 11 59.477 59.477 58.871 0.606 25437 8141 1 14 . 1 1 11 11 LYS CB C 11 32.032 32.032 32.314 -0.282 25437 8142 1 14 . 1 1 11 11 LYS H H 11 7.937 7.937 7.459 0.478 25437 8143 1 14 . 1 1 12 12 GLN N N 12 114.749 114.749 120.051 -5.302 25437 8144 1 14 . 1 1 12 12 GLN HA H 12 4.147 4.147 4.077 0.070 25437 8145 1 14 . 1 1 12 12 GLN CA C 12 57.373 57.373 59.044 -1.671 25437 8146 1 14 . 1 1 12 12 GLN CB C 12 28.511 28.511 28.721 -0.210 25437 8147 1 14 . 1 1 12 12 GLN H H 12 7.562 7.562 8.312 -0.750 25437 8148 1 14 . 1 1 13 13 LEU N N 13 121.751 121.751 118.382 3.369 25437 8149 1 14 . 1 1 13 13 LEU HA H 13 3.880 3.880 4.270 -0.390 25437 8150 1 14 . 1 1 13 13 LEU CA C 13 57.080 57.080 56.286 0.794 25437 8151 1 14 . 1 1 13 13 LEU CB C 13 42.413 42.413 40.512 1.901 25437 8152 1 14 . 1 1 13 13 LEU H H 13 8.725 8.725 8.174 0.551 25437 8153 1 14 . 1 1 14 14 ALA N N 14 116.323 116.323 120.819 -4.496 25437 8154 1 14 . 1 1 14 14 ALA HA H 14 4.070 4.070 4.287 -0.217 25437 8155 1 14 . 1 1 14 14 ALA CA C 14 53.706 53.706 53.972 -0.266 25437 8156 1 14 . 1 1 14 14 ALA CB C 14 18.020 18.020 18.767 -0.747 25437 8157 1 14 . 1 1 14 14 ALA H H 14 7.574 7.574 7.697 -0.123 25437 8158 1 14 . 1 1 15 15 THR N N 15 104.034 104.034 110.234 -6.200 25437 8159 1 14 . 1 1 15 15 THR HA H 15 4.431 4.431 4.510 -0.079 25437 8160 1 14 . 1 1 15 15 THR CA C 15 62.381 62.381 61.063 1.318 25437 8161 1 14 . 1 1 15 15 THR CB C 15 70.327 70.327 69.761 0.566 25437 8162 1 14 . 1 1 15 15 THR H H 15 7.326 7.326 7.462 -0.136 25437 8163 1 14 . 1 1 16 16 VAL N N 16 112.438 112.438 121.812 -9.374 25437 8164 1 14 . 1 1 16 16 VAL HA H 16 4.922 4.922 3.910 1.012 25437 8165 1 14 . 1 1 16 16 VAL CA C 16 59.661 59.661 63.085 -3.424 25437 8166 1 14 . 1 1 16 16 VAL CB C 16 32.989 32.989 32.914 0.075 25437 8167 1 14 . 1 1 16 16 VAL H H 16 7.164 7.164 7.287 -0.123 25437 8168 1 14 . 1 1 17 17 LYS N N 17 120.729 120.729 128.307 -7.578 25437 8169 1 14 . 1 1 17 17 LYS HA H 17 4.230 4.230 4.383 -0.153 25437 8170 1 14 . 1 1 17 17 LYS CA C 17 55.486 55.486 57.997 -2.511 25437 8171 1 14 . 1 1 17 17 LYS CB C 17 32.079 32.079 30.947 1.133 25437 8172 1 14 . 1 1 17 17 LYS H H 17 8.907 8.907 8.696 0.211 25437 8173 1 14 . 1 1 18 18 PRO HA H 18 4.130 4.130 4.479 -0.349 25437 8174 1 14 . 1 1 18 18 PRO CA C 18 65.813 65.813 62.985 2.828 25437 8175 1 14 . 1 1 18 18 PRO CB C 18 31.864 31.864 32.065 -0.201 25437 8176 1 14 . 1 1 19 19 GLU N N 19 117.608 117.608 117.993 -0.385 25437 8177 1 14 . 1 1 19 19 GLU HA H 19 4.011 4.011 4.448 -0.437 25437 8178 1 14 . 1 1 19 19 GLU CA C 19 61.031 61.031 56.341 4.690 25437 8179 1 14 . 1 1 19 19 GLU CB C 19 29.117 29.117 28.943 0.174 25437 8180 1 14 . 1 1 19 19 GLU H H 19 9.714 9.714 8.701 1.013 25437 8181 1 14 . 1 1 20 20 LEU N N 20 117.938 117.938 118.600 -0.662 25437 8182 1 14 . 1 1 20 20 LEU HA H 20 4.258 4.258 4.047 0.211 25437 8183 1 14 . 1 1 20 20 LEU CA C 20 56.261 56.261 57.939 -1.678 25437 8184 1 14 . 1 1 20 20 LEU CB C 20 41.894 41.894 40.934 0.960 25437 8185 1 14 . 1 1 20 20 LEU H H 20 7.188 7.188 7.808 -0.620 25437 8186 1 14 . 1 1 21 21 GLN N N 21 118.367 118.367 118.488 -0.121 25437 8187 1 14 . 1 1 21 21 GLN HA H 21 3.831 3.831 3.971 -0.140 25437 8188 1 14 . 1 1 21 21 GLN CA C 21 60.100 60.100 58.676 1.424 25437 8189 1 14 . 1 1 21 21 GLN CB C 21 27.745 27.745 27.412 0.333 25437 8190 1 14 . 1 1 21 21 GLN H H 21 7.805 7.805 8.642 -0.837 25437 8191 1 14 . 1 1 22 22 LYS N N 22 116.715 116.715 120.159 -3.444 25437 8192 1 14 . 1 1 22 22 LYS HA H 22 3.962 3.962 3.981 -0.019 25437 8193 1 14 . 1 1 22 22 LYS CA C 22 59.816 59.816 59.541 0.275 25437 8194 1 14 . 1 1 22 22 LYS CB C 22 32.520 32.520 31.972 0.548 25437 8195 1 14 . 1 1 22 22 LYS H H 22 8.143 8.143 7.653 0.490 25437 8196 1 14 . 1 1 23 23 VAL N N 23 118.397 118.397 119.467 -1.070 25437 8197 1 14 . 1 1 23 23 VAL HA H 23 3.591 3.591 3.576 0.015 25437 8198 1 14 . 1 1 23 23 VAL CA C 23 66.313 66.313 65.984 0.330 25437 8199 1 14 . 1 1 23 23 VAL CB C 23 31.529 31.529 31.469 0.060 25437 8200 1 14 . 1 1 23 23 VAL H H 23 7.715 7.715 7.569 0.146 25437 8201 1 14 . 1 1 24 24 ALA N N 24 121.929 121.929 121.828 0.101 25437 8202 1 14 . 1 1 24 24 ALA HA H 24 4.024 4.024 3.229 0.795 25437 8203 1 14 . 1 1 24 24 ALA CA C 24 55.444 55.444 55.229 0.215 25437 8204 1 14 . 1 1 24 24 ALA CB C 24 18.086 18.086 18.088 -0.002 25437 8205 1 14 . 1 1 24 24 ALA H H 24 8.307 8.307 7.392 0.915 25437 8206 1 14 . 1 1 25 25 ARG N N 25 114.491 114.491 119.367 -4.876 25437 8207 1 14 . 1 1 25 25 ARG HA H 25 4.114 4.114 4.176 -0.062 25437 8208 1 14 . 1 1 25 25 ARG CA C 25 60.717 60.717 59.721 0.996 25437 8209 1 14 . 1 1 25 25 ARG CB C 25 29.257 29.257 30.382 -1.125 25437 8210 1 14 . 1 1 25 25 ARG H H 25 8.224 8.224 8.335 -0.111 25437 8211 1 14 . 1 1 26 26 ARG N N 26 119.944 119.944 118.644 1.300 25437 8212 1 14 . 1 1 26 26 ARG HA H 26 4.223 4.223 3.985 0.238 25437 8213 1 14 . 1 1 26 26 ARG CA C 26 57.097 57.097 59.272 -2.175 25437 8214 1 14 . 1 1 26 26 ARG CB C 26 28.888 28.888 30.078 -1.190 25437 8215 1 14 . 1 1 26 26 ARG H H 26 7.703 7.703 8.047 -0.344 25437 8216 1 14 . 1 1 27 27 ALA N N 27 122.041 122.041 122.780 -0.739 25437 8217 1 14 . 1 1 27 27 ALA HA H 27 3.611 3.611 3.921 -0.310 25437 8218 1 14 . 1 1 27 27 ALA CA C 27 55.249 55.249 54.968 0.282 25437 8219 1 14 . 1 1 27 27 ALA CB C 27 15.829 15.829 17.721 -1.892 25437 8220 1 14 . 1 1 27 27 ALA H H 27 8.754 8.754 8.124 0.630 25437 8221 1 14 . 1 1 28 28 LEU N N 28 117.421 117.421 117.800 -0.379 25437 8222 1 14 . 1 1 28 28 LEU HA H 28 4.053 4.053 4.246 -0.193 25437 8223 1 14 . 1 1 28 28 LEU CA C 28 57.757 57.757 58.023 -0.266 25437 8224 1 14 . 1 1 28 28 LEU CB C 28 40.351 40.351 42.105 -1.754 25437 8225 1 14 . 1 1 28 28 LEU H H 28 7.657 7.657 8.081 -0.424 25437 8226 1 14 . 1 1 29 29 GLU N N 29 114.911 114.911 117.951 -3.040 25437 8227 1 14 . 1 1 29 29 GLU HA H 29 4.023 4.023 4.135 -0.112 25437 8228 1 14 . 1 1 29 29 GLU CA C 29 58.489 58.489 57.980 0.509 25437 8229 1 14 . 1 1 29 29 GLU CB C 29 29.540 29.540 30.082 -0.542 25437 8230 1 14 . 1 1 29 29 GLU H H 29 7.039 7.039 7.446 -0.407 25437 8231 1 14 . 1 1 30 30 LEU N N 30 117.166 117.166 119.195 -2.029 25437 8232 1 14 . 1 1 30 30 LEU HA H 30 4.281 4.281 4.016 0.265 25437 8233 1 14 . 1 1 30 30 LEU CA C 30 55.266 55.266 56.755 -1.489 25437 8234 1 14 . 1 1 30 30 LEU CB C 30 44.403 44.403 42.385 2.018 25437 8235 1 14 . 1 1 30 30 LEU H H 30 7.353 7.353 8.160 -0.807 25437 8236 1 14 . 1 1 31 31 SER N N 31 116.260 116.260 114.579 1.681 25437 8237 1 14 . 1 1 31 31 SER HA H 31 4.557 4.557 4.256 0.301 25437 8238 1 14 . 1 1 31 31 SER CA C 31 55.723 55.723 57.795 -2.072 25437 8239 1 14 . 1 1 31 31 SER CB C 31 65.560 65.560 64.183 1.377 25437 8240 1 14 . 1 1 31 31 SER H H 31 7.742 7.742 7.903 -0.161 25437 8241 1 14 . 1 1 32 32 PRO HA H 32 4.609 4.609 4.250 0.359 25437 8242 1 14 . 1 1 32 32 PRO CA C 32 63.483 63.483 64.130 -0.647 25437 8243 1 14 . 1 1 32 32 PRO CB C 32 31.236 31.236 31.641 -0.405 25437 8244 1 14 . 1 1 33 33 TYR N N 33 114.714 114.714 118.862 -4.148 25437 8245 1 14 . 1 1 33 33 TYR HA H 33 4.710 4.710 4.650 0.060 25437 8246 1 14 . 1 1 33 33 TYR CA C 33 56.742 56.742 55.965 0.777 25437 8247 1 14 . 1 1 33 33 TYR CB C 33 41.506 41.506 38.932 2.574 25437 8248 1 14 . 1 1 33 33 TYR H H 33 7.727 7.727 7.115 0.612 25437 8249 1 14 . 1 1 34 34 ASP N N 34 125.197 125.197 119.116 6.081 25437 8250 1 14 . 1 1 34 34 ASP HA H 34 3.524 3.524 4.767 -1.243 25437 8251 1 14 . 1 1 34 34 ASP CA C 34 52.353 52.353 54.756 -2.403 25437 8252 1 14 . 1 1 34 34 ASP CB C 34 37.720 37.720 42.449 -4.729 25437 8253 1 14 . 1 1 34 34 ASP H H 34 8.630 8.630 8.697 -0.067 25437 8254 1 14 . 1 1 35 35 PHE N N 35 115.803 115.803 115.082 0.721 25437 8255 1 14 . 1 1 35 35 PHE HA H 35 5.131 5.131 5.443 -0.312 25437 8256 1 14 . 1 1 35 35 PHE CA C 35 55.839 55.839 56.376 -0.537 25437 8257 1 14 . 1 1 35 35 PHE CB C 35 40.751 40.751 42.957 -2.206 25437 8258 1 14 . 1 1 35 35 PHE H H 35 7.250 7.250 8.234 -0.984 25437 8259 1 14 . 1 1 36 36 THR N N 36 113.338 113.338 116.710 -3.372 25437 8260 1 14 . 1 1 36 36 THR HA H 36 4.769 4.769 4.311 0.458 25437 8261 1 14 . 1 1 36 36 THR CA C 36 58.833 58.833 59.660 -0.827 25437 8262 1 14 . 1 1 36 36 THR CB C 36 71.387 71.387 69.879 1.508 25437 8263 1 14 . 1 1 36 36 THR H H 36 9.026 9.026 8.749 0.277 25437 8264 1 14 . 1 1 37 37 ILE N N 37 124.219 124.219 127.968 -3.749 25437 8265 1 14 . 1 1 37 37 ILE HA H 37 4.676 4.676 4.382 0.294 25437 8266 1 14 . 1 1 37 37 ILE CA C 37 58.395 58.395 61.255 -2.860 25437 8267 1 14 . 1 1 37 37 ILE CB C 37 34.649 34.649 38.181 -3.532 25437 8268 1 14 . 1 1 37 37 ILE H H 37 8.476 8.476 8.998 -0.522 25437 8269 1 14 . 1 1 38 38 VAL N N 38 124.271 124.271 127.157 -2.886 25437 8270 1 14 . 1 1 38 38 VAL HA H 38 3.981 3.981 4.265 -0.284 25437 8271 1 14 . 1 1 38 38 VAL CA C 38 63.144 63.144 63.246 -0.102 25437 8272 1 14 . 1 1 38 38 VAL CB C 38 32.658 32.658 32.805 -0.147 25437 8273 1 14 . 1 1 38 38 VAL H H 38 8.640 8.640 8.912 -0.272 25437 8274 1 14 . 1 1 39 39 GLN N N 39 115.210 115.210 116.046 -0.836 25437 8275 1 14 . 1 1 39 39 GLN HA H 39 4.378 4.378 4.760 -0.382 25437 8276 1 14 . 1 1 39 39 GLN CA C 39 56.197 56.197 55.186 1.011 25437 8277 1 14 . 1 1 39 39 GLN CB C 39 33.463 33.463 32.865 0.598 25437 8278 1 14 . 1 1 39 39 GLN H H 39 7.305 7.305 7.837 -0.532 25437 8279 1 14 . 1 1 40 40 GLY N N 40 116.022 116.022 109.208 6.814 25437 8280 1 14 . 1 1 40 40 GLY CA C 40 45.347 45.347 45.322 0.025 25437 8281 1 14 . 1 1 40 40 GLY H H 40 8.851 8.851 8.755 0.096 25437 8282 1 14 . 1 1 41 41 ILE N N 41 132.358 132.358 120.351 12.007 25437 8283 1 14 . 1 1 41 41 ILE HA H 41 4.715 4.715 4.460 0.255 25437 8284 1 14 . 1 1 41 41 ILE CA C 41 61.575 61.575 59.278 2.297 25437 8285 1 14 . 1 1 41 41 ILE CB C 41 38.774 38.774 42.232 -3.458 25437 8286 1 14 . 1 1 41 41 ILE H H 41 8.776 8.776 7.934 0.842 25437 8287 1 14 . 1 1 42 42 ARG N N 42 123.358 123.358 127.083 -3.725 25437 8288 1 14 . 1 1 42 42 ARG HA H 42 4.725 4.725 4.623 0.102 25437 8289 1 14 . 1 1 42 42 ARG CA C 42 54.576 54.576 54.706 -0.130 25437 8290 1 14 . 1 1 42 42 ARG CB C 42 33.425 33.425 29.943 3.482 25437 8291 1 14 . 1 1 42 42 ARG H H 42 7.154 7.154 8.586 -1.432 25437 8292 1 14 . 1 1 43 43 THR N N 43 115.494 115.494 117.899 -2.405 25437 8293 1 14 . 1 1 43 43 THR HA H 43 4.539 4.539 4.322 0.217 25437 8294 1 14 . 1 1 43 43 THR CA C 43 61.022 61.022 61.330 -0.308 25437 8295 1 14 . 1 1 43 43 THR CB C 43 70.577 70.577 69.463 1.114 25437 8296 1 14 . 1 1 43 43 THR H H 43 8.519 8.519 8.366 0.153 25437 8297 1 14 . 1 1 44 44 VAL N N 44 121.526 121.526 115.324 6.202 25437 8298 1 14 . 1 1 44 44 VAL HA H 44 3.956 3.956 4.165 -0.209 25437 8299 1 14 . 1 1 44 44 VAL CA C 44 63.977 63.977 64.072 -0.095 25437 8300 1 14 . 1 1 44 44 VAL CB C 44 32.313 32.313 31.431 0.882 25437 8301 1 14 . 1 1 44 44 VAL H H 44 8.516 8.516 8.171 0.345 25437 8302 1 14 . 1 1 45 45 ALA N N 45 125.457 125.457 120.816 4.641 25437 8303 1 14 . 1 1 45 45 ALA HA H 45 4.260 4.260 4.542 -0.282 25437 8304 1 14 . 1 1 45 45 ALA CA C 45 53.278 53.278 53.561 -0.283 25437 8305 1 14 . 1 1 45 45 ALA CB C 45 18.641 18.641 19.305 -0.664 25437 8306 1 14 . 1 1 45 45 ALA H H 45 8.311 8.311 7.914 0.397 25437 8307 1 14 . 1 1 46 46 GLN N N 46 118.271 118.271 119.719 -1.448 25437 8308 1 14 . 1 1 46 46 GLN HA H 46 4.232 4.232 4.107 0.125 25437 8309 1 14 . 1 1 46 46 GLN CA C 46 56.717 56.717 58.160 -1.443 25437 8310 1 14 . 1 1 46 46 GLN CB C 46 28.901 28.901 28.136 0.765 25437 8311 1 14 . 1 1 46 46 GLN H H 46 8.109 8.109 7.883 0.226 25437 8312 1 14 . 1 1 47 47 SER N N 47 116.127 116.127 115.102 1.025 25437 8313 1 14 . 1 1 47 47 SER HA H 47 4.361 4.361 4.093 0.268 25437 8314 1 14 . 1 1 47 47 SER CA C 47 59.082 59.082 61.299 -2.217 25437 8315 1 14 . 1 1 47 47 SER CB C 47 64.009 64.009 62.702 1.307 25437 8316 1 14 . 1 1 47 47 SER H H 47 8.199 8.199 8.160 0.039 25437 8317 1 14 . 1 1 48 48 ALA N N 48 124.628 124.628 122.604 2.024 25437 8318 1 14 . 1 1 48 48 ALA HA H 48 4.253 4.253 4.262 -0.009 25437 8319 1 14 . 1 1 48 48 ALA CA C 48 53.325 53.325 54.287 -0.962 25437 8320 1 14 . 1 1 48 48 ALA CB C 48 18.552 18.552 18.616 -0.064 25437 8321 1 14 . 1 1 48 48 ALA H H 48 8.315 8.315 8.332 -0.017 25437 8322 1 14 . 1 1 49 49 GLN N N 49 119.160 119.160 118.318 0.842 25437 8323 1 14 . 1 1 49 49 GLN HA H 49 4.232 4.232 4.218 0.014 25437 8324 1 14 . 1 1 49 49 GLN CA C 49 56.850 56.850 56.982 -0.132 25437 8325 1 14 . 1 1 49 49 GLN CB C 49 28.992 28.992 28.586 0.406 25437 8326 1 14 . 1 1 49 49 GLN H H 49 8.153 8.153 7.820 0.333 25437 8327 1 14 . 1 1 50 50 ASN N N 50 119.112 119.112 120.085 -0.973 25437 8328 1 14 . 1 1 50 50 ASN HA H 50 4.660 4.660 4.502 0.158 25437 8329 1 14 . 1 1 50 50 ASN CA C 50 53.572 53.572 56.455 -2.883 25437 8330 1 14 . 1 1 50 50 ASN CB C 50 38.376 38.376 38.407 -0.032 25437 8331 1 14 . 1 1 50 50 ASN H H 50 8.205 8.205 8.070 0.135 25437 8332 1 14 . 1 1 51 51 ILE N N 51 120.639 120.639 117.489 3.150 25437 8333 1 14 . 1 1 51 51 ILE HA H 51 4.095 4.095 4.087 0.008 25437 8334 1 14 . 1 1 51 51 ILE CA C 51 61.954 61.954 62.630 -0.676 25437 8335 1 14 . 1 1 51 51 ILE CB C 51 38.414 38.414 35.812 2.603 25437 8336 1 14 . 1 1 51 51 ILE H H 51 7.939 7.939 7.328 0.611 25437 8337 1 14 . 1 1 52 52 ALA N N 52 126.459 126.459 123.373 3.086 25437 8338 1 14 . 1 1 52 52 ALA HA H 52 4.246 4.246 4.012 0.234 25437 8339 1 14 . 1 1 52 52 ALA CA C 52 53.189 53.189 54.549 -1.360 25437 8340 1 14 . 1 1 52 52 ALA CB C 52 18.453 18.453 18.235 0.218 25437 8341 1 14 . 1 1 52 52 ALA H H 52 8.251 8.251 8.287 -0.036 25437 8342 1 14 . 1 1 53 53 ASN N N 53 116.801 116.801 117.264 -0.463 25437 8343 1 14 . 1 1 53 53 ASN HA H 53 4.648 4.648 4.507 0.141 25437 8344 1 14 . 1 1 53 53 ASN CA C 53 53.425 53.425 54.725 -1.300 25437 8345 1 14 . 1 1 53 53 ASN CB C 53 38.600 38.600 39.108 -0.509 25437 8346 1 14 . 1 1 53 53 ASN H H 53 8.230 8.230 7.769 0.461 25437 8347 1 14 . 1 1 54 54 GLY N N 54 108.549 108.549 105.937 2.612 25437 8348 1 14 . 1 1 54 54 GLY CA C 54 45.746 45.746 44.903 0.843 25437 8349 1 14 . 1 1 54 54 GLY H H 54 8.191 8.191 7.664 0.527 25437 8350 1 14 . 1 1 55 55 THR N N 55 112.528 112.528 114.885 -2.357 25437 8351 1 14 . 1 1 55 55 THR HA H 55 4.282 4.282 4.637 -0.355 25437 8352 1 14 . 1 1 55 55 THR CA C 55 62.118 62.118 61.368 0.750 25437 8353 1 14 . 1 1 55 55 THR CB C 55 69.796 69.796 70.150 -0.354 25437 8354 1 14 . 1 1 55 55 THR H H 55 8.003 8.003 7.697 0.306 25437 8355 1 14 . 1 1 56 56 SER N N 56 116.986 116.986 122.215 -5.229 25437 8356 1 14 . 1 1 56 56 SER HA H 56 4.362 4.362 4.534 -0.172 25437 8357 1 14 . 1 1 56 56 SER CA C 56 58.454 58.454 59.498 -1.044 25437 8358 1 14 . 1 1 56 56 SER CB C 56 63.762 63.762 63.459 0.304 25437 8359 1 14 . 1 1 56 56 SER H H 56 8.043 8.043 8.627 -0.584 25437 8360 1 14 . 1 1 57 57 PHE N N 57 121.981 121.981 122.340 -0.359 25437 8361 1 14 . 1 1 57 57 PHE HA H 57 4.579 4.579 4.350 0.229 25437 8362 1 14 . 1 1 57 57 PHE CA C 57 57.929 57.929 60.813 -2.884 25437 8363 1 14 . 1 1 57 57 PHE CB C 57 39.068 39.068 39.176 -0.108 25437 8364 1 14 . 1 1 57 57 PHE H H 57 8.120 8.120 8.345 -0.225 25437 8365 1 14 . 1 1 58 58 LEU N N 58 121.621 121.621 118.771 2.850 25437 8366 1 14 . 1 1 58 58 LEU HA H 58 4.174 4.174 4.488 -0.314 25437 8367 1 14 . 1 1 58 58 LEU CA C 58 55.350 55.350 54.324 1.026 25437 8368 1 14 . 1 1 58 58 LEU CB C 58 42.340 42.340 40.685 1.655 25437 8369 1 14 . 1 1 58 58 LEU H H 58 7.806 7.806 7.697 0.109 25437 8370 1 14 . 1 1 59 59 LYS N N 59 120.388 120.388 119.582 0.806 25437 8371 1 14 . 1 1 59 59 LYS HA H 59 4.230 4.230 4.103 0.127 25437 8372 1 14 . 1 1 59 59 LYS CA C 59 55.823 55.823 56.253 -0.430 25437 8373 1 14 . 1 1 59 59 LYS CB C 59 32.616 32.616 32.882 -0.266 25437 8374 1 14 . 1 1 59 59 LYS H H 59 8.068 8.068 7.406 0.662 25437 8375 1 14 . 1 1 60 60 ASP N N 60 121.094 121.094 120.742 0.352 25437 8376 1 14 . 1 1 60 60 ASP HA H 60 4.828 4.828 4.563 0.265 25437 8377 1 14 . 1 1 60 60 ASP CA C 60 53.698 53.698 54.264 -0.566 25437 8378 1 14 . 1 1 60 60 ASP CB C 60 41.652 41.652 40.625 1.027 25437 8379 1 14 . 1 1 60 60 ASP H H 60 7.959 7.959 8.857 -0.898 25437 8380 1 14 . 1 1 61 61 PRO HA H 61 4.388 4.388 4.498 -0.110 25437 8381 1 14 . 1 1 61 61 PRO CA C 61 63.263 63.263 63.205 0.058 25437 8382 1 14 . 1 1 61 61 PRO CB C 61 31.697 31.697 32.312 -0.615 25437 8383 1 14 . 1 1 62 62 SER N N 62 115.353 115.353 117.423 -2.070 25437 8384 1 14 . 1 1 62 62 SER HA H 62 4.365 4.365 4.623 -0.258 25437 8385 1 14 . 1 1 62 62 SER CA C 62 59.258 59.258 57.468 1.790 25437 8386 1 14 . 1 1 62 62 SER CB C 62 63.634 63.634 63.526 0.108 25437 8387 1 14 . 1 1 62 62 SER H H 62 8.420 8.420 8.612 -0.192 25437 8388 1 14 . 1 1 63 63 LYS N N 63 122.360 122.360 121.639 0.721 25437 8389 1 14 . 1 1 63 63 LYS HA H 63 4.266 4.266 4.328 -0.062 25437 8390 1 14 . 1 1 63 63 LYS CA C 63 56.628 56.628 57.266 -0.638 25437 8391 1 14 . 1 1 63 63 LYS CB C 63 29.327 29.327 32.685 -3.358 25437 8392 1 14 . 1 1 63 63 LYS H H 63 8.405 8.405 8.302 0.103 25437 8393 1 14 . 1 1 65 65 LYS N N 65 125.418 125.418 120.380 5.038 25437 8394 1 14 . 1 1 65 65 LYS HA H 65 4.146 4.146 4.367 -0.221 25437 8395 1 14 . 1 1 65 65 LYS CA C 65 63.350 63.350 58.797 4.553 25437 8396 1 14 . 1 1 65 65 LYS CB C 65 31.891 31.891 33.184 -1.293 25437 8397 1 14 . 1 1 65 65 LYS H H 65 8.369 8.369 8.856 -0.487 25437 8398 1 14 . 1 1 66 66 HIS N N 66 121.236 121.236 118.115 3.121 25437 8399 1 14 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.391 0.154 25437 8400 1 14 . 1 1 66 66 HIS CA C 66 59.256 59.256 59.171 0.085 25437 8401 1 14 . 1 1 66 66 HIS CB C 66 28.619 28.619 29.390 -0.771 25437 8402 1 14 . 1 1 66 66 HIS H H 66 8.758 8.758 8.697 0.061 25437 8403 1 14 . 1 1 67 67 ILE N N 67 120.137 120.137 118.237 1.900 25437 8404 1 14 . 1 1 67 67 ILE HA H 67 4.372 4.372 3.976 0.396 25437 8405 1 14 . 1 1 67 67 ILE CA C 67 63.961 63.961 63.427 0.534 25437 8406 1 14 . 1 1 67 67 ILE CB C 67 37.935 37.935 36.362 1.573 25437 8407 1 14 . 1 1 67 67 ILE H H 67 7.849 7.849 8.254 -0.405 25437 8408 1 14 . 1 1 68 68 THR N N 68 104.067 104.067 109.128 -5.061 25437 8409 1 14 . 1 1 68 68 THR HA H 68 4.397 4.397 4.458 -0.061 25437 8410 1 14 . 1 1 68 68 THR CA C 68 61.343 61.343 61.374 -0.032 25437 8411 1 14 . 1 1 68 68 THR CB C 68 68.473 68.473 69.607 -1.134 25437 8412 1 14 . 1 1 68 68 THR H H 68 7.168 7.168 7.779 -0.611 25437 8413 1 14 . 1 1 69 69 GLY N N 69 107.308 107.308 111.189 -3.881 25437 8414 1 14 . 1 1 69 69 GLY CA C 69 46.665 46.665 46.449 0.216 25437 8415 1 14 . 1 1 69 69 GLY H H 69 7.169 7.169 7.799 -0.630 25437 8416 1 14 . 1 1 70 70 ASP N N 70 114.629 114.629 117.164 -2.535 25437 8417 1 14 . 1 1 70 70 ASP HA H 70 4.734 4.734 4.559 0.175 25437 8418 1 14 . 1 1 70 70 ASP CA C 70 54.627 54.627 53.496 1.131 25437 8419 1 14 . 1 1 70 70 ASP CB C 70 44.451 44.451 40.656 3.795 25437 8420 1 14 . 1 1 70 70 ASP H H 70 7.644 7.644 7.572 0.072 25437 8421 1 14 . 1 1 71 71 ALA N N 71 118.917 118.917 118.621 0.296 25437 8422 1 14 . 1 1 71 71 ALA HA H 71 5.062 5.062 4.831 0.231 25437 8423 1 14 . 1 1 71 71 ALA CA C 71 51.498 51.498 51.389 0.109 25437 8424 1 14 . 1 1 71 71 ALA CB C 71 21.994 21.994 21.471 0.523 25437 8425 1 14 . 1 1 71 71 ALA H H 71 7.529 7.529 7.152 0.377 25437 8426 1 14 . 1 1 72 72 ILE N N 72 110.818 110.818 113.518 -2.700 25437 8427 1 14 . 1 1 72 72 ILE HA H 72 5.249 5.249 4.680 0.569 25437 8428 1 14 . 1 1 72 72 ILE CA C 72 58.821 58.821 59.822 -1.001 25437 8429 1 14 . 1 1 72 72 ILE CB C 72 43.709 43.709 42.065 1.645 25437 8430 1 14 . 1 1 72 72 ILE H H 72 8.449 8.449 8.437 0.012 25437 8431 1 14 . 1 1 73 73 ASP N N 73 117.790 117.790 121.292 -3.502 25437 8432 1 14 . 1 1 73 73 ASP HA H 73 6.094 6.094 5.395 0.699 25437 8433 1 14 . 1 1 73 73 ASP CA C 73 52.090 52.090 53.282 -1.192 25437 8434 1 14 . 1 1 73 73 ASP CB C 73 42.655 42.655 44.805 -2.150 25437 8435 1 14 . 1 1 73 73 ASP H H 73 8.442 8.442 8.932 -0.490 25437 8436 1 14 . 1 1 74 74 PHE N N 74 122.479 122.479 122.280 0.199 25437 8437 1 14 . 1 1 74 74 PHE HA H 74 6.173 6.173 5.540 0.633 25437 8438 1 14 . 1 1 74 74 PHE CA C 74 54.775 54.775 56.243 -1.468 25437 8439 1 14 . 1 1 74 74 PHE CB C 74 44.115 44.115 42.764 1.351 25437 8440 1 14 . 1 1 74 74 PHE H H 74 9.463 9.463 7.980 1.483 25437 8441 1 14 . 1 1 75 75 ALA N N 75 118.862 118.862 121.565 -2.703 25437 8442 1 14 . 1 1 75 75 ALA HA H 75 4.453 4.453 4.540 -0.087 25437 8443 1 14 . 1 1 75 75 ALA CA C 75 50.134 50.134 49.042 1.092 25437 8444 1 14 . 1 1 75 75 ALA CB C 75 21.020 21.020 21.735 -0.715 25437 8445 1 14 . 1 1 75 75 ALA H H 75 8.575 8.575 9.312 -0.737 25437 8446 1 14 . 1 1 76 76 PRO HA H 76 4.466 4.466 4.551 -0.085 25437 8447 1 14 . 1 1 76 76 PRO CA C 76 62.353 62.353 62.742 -0.389 25437 8448 1 14 . 1 1 76 76 PRO CB C 76 32.135 32.135 30.893 1.242 25437 8449 1 14 . 1 1 77 77 TYR N N 77 126.211 126.211 126.001 0.210 25437 8450 1 14 . 1 1 77 77 TYR HA H 77 4.835 4.835 4.394 0.441 25437 8451 1 14 . 1 1 77 77 TYR CA C 77 56.830 56.830 58.497 -1.667 25437 8452 1 14 . 1 1 77 77 TYR CB C 77 40.384 40.384 40.918 -0.534 25437 8453 1 14 . 1 1 77 77 TYR H H 77 8.357 8.357 8.529 -0.172 25437 8454 1 14 . 1 1 78 78 ILE N N 78 124.613 124.613 123.342 1.271 25437 8455 1 14 . 1 1 78 78 ILE HA H 78 4.210 4.210 4.192 0.018 25437 8456 1 14 . 1 1 78 78 ILE CA C 78 59.941 59.941 60.585 -0.644 25437 8457 1 14 . 1 1 78 78 ILE CB C 78 40.652 40.652 41.413 -0.761 25437 8458 1 14 . 1 1 78 78 ILE H H 78 8.334 8.334 8.588 -0.254 25437 8459 1 14 . 1 1 79 79 ASN N N 79 126.361 126.361 124.665 1.696 25437 8460 1 14 . 1 1 79 79 ASN HA H 79 4.339 4.339 4.407 -0.068 25437 8461 1 14 . 1 1 79 79 ASN CA C 79 53.937 53.937 54.113 -0.176 25437 8462 1 14 . 1 1 79 79 ASN CB C 79 36.887 36.887 37.291 -0.404 25437 8463 1 14 . 1 1 79 79 ASN H H 79 9.444 9.444 9.096 0.348 25437 8464 1 14 . 1 1 80 80 GLY N N 80 102.068 102.068 102.090 -0.022 25437 8465 1 14 . 1 1 80 80 GLY CA C 80 45.663 45.663 45.767 -0.104 25437 8466 1 14 . 1 1 80 80 GLY H H 80 8.240 8.240 8.873 -0.633 25437 8467 1 14 . 1 1 81 81 LYS N N 81 117.260 117.260 116.680 0.580 25437 8468 1 14 . 1 1 81 81 LYS HA H 81 4.534 4.534 4.330 0.204 25437 8469 1 14 . 1 1 81 81 LYS CA C 81 54.226 54.226 53.785 0.441 25437 8470 1 14 . 1 1 81 81 LYS CB C 81 35.655 35.655 35.138 0.517 25437 8471 1 14 . 1 1 81 81 LYS H H 81 7.046 7.046 7.460 -0.414 25437 8472 1 14 . 1 1 82 82 ILE N N 82 122.347 122.347 121.634 0.713 25437 8473 1 14 . 1 1 82 82 ILE HA H 82 4.091 4.091 3.356 0.735 25437 8474 1 14 . 1 1 82 82 ILE CA C 82 62.621 62.621 62.266 0.355 25437 8475 1 14 . 1 1 82 82 ILE CB C 82 37.833 37.833 37.694 0.139 25437 8476 1 14 . 1 1 82 82 ILE H H 82 8.418 8.418 8.258 0.160 25437 8477 1 14 . 1 1 83 83 ASP N N 83 128.498 128.498 126.504 1.994 25437 8478 1 14 . 1 1 83 83 ASP HA H 83 4.808 4.808 4.587 0.221 25437 8479 1 14 . 1 1 83 83 ASP CA C 83 51.619 51.619 52.689 -1.070 25437 8480 1 14 . 1 1 83 83 ASP CB C 83 41.079 41.079 40.047 1.032 25437 8481 1 14 . 1 1 83 83 ASP H H 83 8.028 8.028 8.362 -0.334 25437 8482 1 14 . 1 1 84 84 TRP N N 84 121.807 121.807 125.524 -3.717 25437 8483 1 14 . 1 1 84 84 TRP HA H 84 4.574 4.574 4.787 -0.213 25437 8484 1 14 . 1 1 84 84 TRP CA C 84 58.456 58.456 58.366 0.090 25437 8485 1 14 . 1 1 84 84 TRP CB C 84 30.177 30.177 30.643 -0.466 25437 8486 1 14 . 1 1 84 84 TRP H H 84 8.081 8.081 8.215 -0.134 25437 8487 1 14 . 1 1 85 85 ASN N N 85 113.227 113.227 118.094 -4.867 25437 8488 1 14 . 1 1 85 85 ASN HA H 85 4.975 4.975 4.844 0.131 25437 8489 1 14 . 1 1 85 85 ASN CA C 85 53.430 53.430 54.444 -1.014 25437 8490 1 14 . 1 1 85 85 ASN CB C 85 40.162 40.162 38.906 1.256 25437 8491 1 14 . 1 1 85 85 ASN H H 85 8.386 8.386 8.079 0.307 25437 8492 1 14 . 1 1 86 86 ASP N N 86 118.821 118.821 122.793 -3.972 25437 8493 1 14 . 1 1 86 86 ASP HA H 86 4.813 4.813 4.626 0.187 25437 8494 1 14 . 1 1 86 86 ASP CA C 86 52.255 52.255 54.303 -2.048 25437 8495 1 14 . 1 1 86 86 ASP CB C 86 37.613 37.613 40.042 -2.429 25437 8496 1 14 . 1 1 86 86 ASP H H 86 7.405 7.405 8.096 -0.691 25437 8497 1 14 . 1 1 87 87 LEU N N 87 127.177 127.177 121.598 5.579 25437 8498 1 14 . 1 1 87 87 LEU HA H 87 4.055 4.055 4.112 -0.057 25437 8499 1 14 . 1 1 87 87 LEU CA C 87 58.321 58.321 57.119 1.202 25437 8500 1 14 . 1 1 87 87 LEU CB C 87 40.887 40.887 41.747 -0.860 25437 8501 1 14 . 1 1 87 87 LEU H H 87 8.274 8.274 7.766 0.508 25437 8502 1 14 . 1 1 88 88 GLU N N 88 114.132 114.132 120.344 -6.212 25437 8503 1 14 . 1 1 88 88 GLU HA H 88 3.938 3.938 2.428 1.510 25437 8504 1 14 . 1 1 88 88 GLU CA C 88 59.437 59.437 58.464 0.973 25437 8505 1 14 . 1 1 88 88 GLU CB C 88 27.987 27.987 28.640 -0.653 25437 8506 1 14 . 1 1 88 88 GLU H H 88 8.257 8.257 8.205 0.052 25437 8507 1 14 . 1 1 89 89 ALA N N 89 122.075 122.075 120.282 1.793 25437 8508 1 14 . 1 1 89 89 ALA HA H 89 3.799 3.799 4.134 -0.335 25437 8509 1 14 . 1 1 89 89 ALA CA C 89 54.703 54.703 54.096 0.607 25437 8510 1 14 . 1 1 89 89 ALA CB C 89 17.635 17.635 17.968 -0.333 25437 8511 1 14 . 1 1 89 89 ALA H H 89 7.418 7.418 7.827 -0.409 25437 8512 1 14 . 1 1 90 90 PHE N N 90 116.551 116.551 120.204 -3.653 25437 8513 1 14 . 1 1 90 90 PHE HA H 90 4.025 4.025 4.019 0.006 25437 8514 1 14 . 1 1 90 90 PHE CA C 90 64.150 64.150 62.011 2.139 25437 8515 1 14 . 1 1 90 90 PHE CB C 90 38.965 38.965 38.761 0.204 25437 8516 1 14 . 1 1 90 90 PHE H H 90 7.777 7.777 7.107 0.670 25437 8517 1 14 . 1 1 91 91 TRP N N 91 119.390 119.390 118.413 0.977 25437 8518 1 14 . 1 1 91 91 TRP HA H 91 4.578 4.578 4.411 0.167 25437 8519 1 14 . 1 1 91 91 TRP CA C 91 59.217 59.217 58.364 0.853 25437 8520 1 14 . 1 1 91 91 TRP CB C 91 29.802 29.802 27.320 2.482 25437 8521 1 14 . 1 1 91 91 TRP H H 91 7.821 7.821 7.574 0.247 25437 8522 1 14 . 1 1 92 92 ALA N N 92 121.275 121.275 124.231 -2.956 25437 8523 1 14 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.358 -0.234 25437 8524 1 14 . 1 1 92 92 ALA CA C 92 55.229 55.229 54.860 0.369 25437 8525 1 14 . 1 1 92 92 ALA CB C 92 18.870 18.870 18.231 0.639 25437 8526 1 14 . 1 1 92 92 ALA H H 92 8.242 8.242 7.160 1.082 25437 8527 1 14 . 1 1 93 93 VAL N N 93 120.454 120.454 118.855 1.599 25437 8528 1 14 . 1 1 93 93 VAL HA H 93 3.600 3.600 3.898 -0.298 25437 8529 1 14 . 1 1 93 93 VAL CA C 93 66.424 66.424 64.710 1.714 25437 8530 1 14 . 1 1 93 93 VAL CB C 93 30.676 30.676 31.599 -0.923 25437 8531 1 14 . 1 1 93 93 VAL H H 93 8.259 8.259 7.928 0.331 25437 8532 1 14 . 1 1 94 94 LYS N N 94 122.098 122.098 121.006 1.092 25437 8533 1 14 . 1 1 94 94 LYS HA H 94 3.690 3.690 3.989 -0.299 25437 8534 1 14 . 1 1 94 94 LYS CA C 94 60.959 60.959 59.736 1.223 25437 8535 1 14 . 1 1 94 94 LYS CB C 94 31.484 31.484 32.015 -0.531 25437 8536 1 14 . 1 1 94 94 LYS H H 94 8.382 8.382 8.354 0.028 25437 8537 1 14 . 1 1 95 95 LYS N N 95 118.030 118.030 118.958 -0.928 25437 8538 1 14 . 1 1 95 95 LYS HA H 95 3.958 3.958 4.343 -0.385 25437 8539 1 14 . 1 1 95 95 LYS CA C 95 59.212 59.212 59.327 -0.115 25437 8540 1 14 . 1 1 95 95 LYS CB C 95 31.219 31.219 32.255 -1.036 25437 8541 1 14 . 1 1 95 95 LYS H H 95 7.957 7.957 7.754 0.203 25437 8542 1 14 . 1 1 96 96 ALA N N 96 124.359 124.359 121.336 3.023 25437 8543 1 14 . 1 1 96 96 ALA HA H 96 4.229 4.229 4.152 0.077 25437 8544 1 14 . 1 1 96 96 ALA CA C 96 55.422 55.422 54.910 0.512 25437 8545 1 14 . 1 1 96 96 ALA CB C 96 17.148 17.148 18.329 -1.181 25437 8546 1 14 . 1 1 96 96 ALA H H 96 7.668 7.668 7.775 -0.107 25437 8547 1 14 . 1 1 97 97 PHE N N 97 117.446 117.446 119.259 -1.813 25437 8548 1 14 . 1 1 97 97 PHE HA H 97 3.883 3.883 4.118 -0.235 25437 8549 1 14 . 1 1 97 97 PHE CA C 97 63.187 63.187 62.199 0.988 25437 8550 1 14 . 1 1 97 97 PHE CB C 97 40.401 40.401 39.432 0.969 25437 8551 1 14 . 1 1 97 97 PHE H H 97 8.369 8.369 8.188 0.181 25437 8552 1 14 . 1 1 98 98 GLU N N 98 119.148 119.148 117.826 1.322 25437 8553 1 14 . 1 1 98 98 GLU HA H 98 4.140 4.140 4.065 0.075 25437 8554 1 14 . 1 1 98 98 GLU CA C 98 59.610 59.610 58.809 0.801 25437 8555 1 14 . 1 1 98 98 GLU CB C 98 29.444 29.444 29.294 0.150 25437 8556 1 14 . 1 1 98 98 GLU H H 98 8.821 8.821 8.010 0.811 25437 8557 1 14 . 1 1 99 99 GLN N N 99 120.727 120.727 119.071 1.656 25437 8558 1 14 . 1 1 99 99 GLN HA H 99 4.061 4.061 4.165 -0.104 25437 8559 1 14 . 1 1 99 99 GLN CA C 99 59.130 59.130 58.201 0.929 25437 8560 1 14 . 1 1 99 99 GLN CB C 99 27.524 27.524 28.596 -1.072 25437 8561 1 14 . 1 1 99 99 GLN H H 99 8.436 8.436 8.252 0.184 25437 8562 1 14 . 1 1 100 100 ALA N N 100 122.603 122.603 121.786 0.817 25437 8563 1 14 . 1 1 100 100 ALA HA H 100 3.886 3.886 4.363 -0.477 25437 8564 1 14 . 1 1 100 100 ALA CA C 100 55.399 55.399 54.601 0.798 25437 8565 1 14 . 1 1 100 100 ALA CB C 100 19.472 19.472 18.343 1.129 25437 8566 1 14 . 1 1 100 100 ALA H H 100 8.433 8.433 8.474 -0.041 25437 8567 1 14 . 1 1 101 101 GLY N N 101 104.253 104.253 105.355 -1.102 25437 8568 1 14 . 1 1 101 101 GLY CA C 101 47.843 47.843 46.414 1.429 25437 8569 1 14 . 1 1 101 101 GLY H H 101 9.035 9.035 7.959 1.076 25437 8570 1 14 . 1 1 102 102 LYS N N 102 121.912 121.912 121.586 0.326 25437 8571 1 14 . 1 1 102 102 LYS HA H 102 4.116 4.116 4.156 -0.040 25437 8572 1 14 . 1 1 102 102 LYS CA C 102 59.314 59.314 58.726 0.588 25437 8573 1 14 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.299 -0.120 25437 8574 1 14 . 1 1 102 102 LYS H H 102 7.928 7.928 7.888 0.040 25437 8575 1 14 . 1 1 103 103 GLU N N 103 119.382 119.382 119.016 0.366 25437 8576 1 14 . 1 1 103 103 GLU HA H 103 3.989 3.989 4.207 -0.218 25437 8577 1 14 . 1 1 103 103 GLU CA C 103 59.093 59.093 58.341 0.752 25437 8578 1 14 . 1 1 103 103 GLU CB C 103 30.127 30.127 29.720 0.407 25437 8579 1 14 . 1 1 103 103 GLU H H 103 8.406 8.406 7.753 0.653 25437 8580 1 14 . 1 1 104 104 LEU N N 104 115.551 115.551 117.904 -2.353 25437 8581 1 14 . 1 1 104 104 LEU HA H 104 4.360 4.360 4.393 -0.033 25437 8582 1 14 . 1 1 104 104 LEU CA C 104 55.185 55.185 54.881 0.304 25437 8583 1 14 . 1 1 104 104 LEU CB C 104 43.105 43.105 42.389 0.716 25437 8584 1 14 . 1 1 104 104 LEU H H 104 7.999 7.999 8.056 -0.057 25437 8585 1 14 . 1 1 105 105 GLY N N 105 110.561 110.561 105.788 4.773 25437 8586 1 14 . 1 1 105 105 GLY CA C 105 46.480 46.480 45.541 0.939 25437 8587 1 14 . 1 1 105 105 GLY H H 105 7.898 7.898 7.577 0.321 25437 8588 1 14 . 1 1 106 106 ILE N N 106 121.745 121.745 121.716 0.029 25437 8589 1 14 . 1 1 106 106 ILE HA H 106 4.227 4.227 4.045 0.182 25437 8590 1 14 . 1 1 106 106 ILE CA C 106 59.717 59.717 60.858 -1.141 25437 8591 1 14 . 1 1 106 106 ILE CB C 106 41.096 41.096 38.781 2.315 25437 8592 1 14 . 1 1 106 106 ILE H H 106 8.428 8.428 7.800 0.628 25437 8593 1 14 . 1 1 107 107 LYS N N 107 127.736 127.736 126.570 1.166 25437 8594 1 14 . 1 1 107 107 LYS HA H 107 4.275 4.275 4.188 0.087 25437 8595 1 14 . 1 1 107 107 LYS CA C 107 57.224 57.224 57.128 0.096 25437 8596 1 14 . 1 1 107 107 LYS CB C 107 32.752 32.752 32.789 -0.037 25437 8597 1 14 . 1 1 107 107 LYS H H 107 8.489 8.489 8.562 -0.073 25437 8598 1 14 . 1 1 108 108 LEU N N 108 122.881 122.881 122.904 -0.023 25437 8599 1 14 . 1 1 108 108 LEU HA H 108 5.235 5.235 4.618 0.617 25437 8600 1 14 . 1 1 108 108 LEU CA C 108 53.287 53.287 54.675 -1.388 25437 8601 1 14 . 1 1 108 108 LEU CB C 108 47.016 47.016 44.371 2.644 25437 8602 1 14 . 1 1 108 108 LEU H H 108 8.049 8.049 8.116 -0.067 25437 8603 1 14 . 1 1 109 109 ARG N N 109 120.726 120.726 123.424 -2.698 25437 8604 1 14 . 1 1 109 109 ARG HA H 109 4.438 4.438 4.289 0.149 25437 8605 1 14 . 1 1 109 109 ARG CA C 109 55.193 55.193 54.389 0.804 25437 8606 1 14 . 1 1 109 109 ARG CB C 109 33.519 33.519 34.426 -0.907 25437 8607 1 14 . 1 1 109 109 ARG H H 109 8.736 8.736 7.828 0.908 25437 8608 1 14 . 1 1 110 110 PHE N N 110 121.516 121.516 122.246 -0.730 25437 8609 1 14 . 1 1 110 110 PHE HA H 110 5.303 5.303 5.175 0.128 25437 8610 1 14 . 1 1 110 110 PHE CA C 110 56.644 56.644 56.336 0.308 25437 8611 1 14 . 1 1 110 110 PHE CB C 110 40.602 40.602 39.021 1.581 25437 8612 1 14 . 1 1 110 110 PHE H H 110 8.707 8.707 8.686 0.021 25437 8613 1 14 . 1 1 111 111 GLY N N 111 108.992 108.992 111.370 -2.378 25437 8614 1 14 . 1 1 111 111 GLY CA C 111 45.604 45.604 45.181 0.423 25437 8615 1 14 . 1 1 111 111 GLY H H 111 7.819 7.819 8.256 -0.437 25437 8616 1 14 . 1 1 112 112 ALA N N 112 111.448 111.448 122.161 -10.713 25437 8617 1 14 . 1 1 112 112 ALA HA H 112 3.858 3.858 4.473 -0.615 25437 8618 1 14 . 1 1 112 112 ALA CA C 112 52.083 52.083 52.957 -0.874 25437 8619 1 14 . 1 1 112 112 ALA CB C 112 18.655 18.655 19.191 -0.536 25437 8620 1 14 . 1 1 112 112 ALA H H 112 7.945 7.945 7.914 0.031 25437 8621 1 14 . 1 1 113 113 ASP N N 113 106.770 106.770 119.225 -12.455 25437 8622 1 14 . 1 1 113 113 ASP HA H 113 5.157 5.157 4.431 0.726 25437 8623 1 14 . 1 1 113 113 ASP CA C 113 52.285 52.285 57.161 -4.876 25437 8624 1 14 . 1 1 113 113 ASP CB C 113 41.465 41.465 40.662 0.803 25437 8625 1 14 . 1 1 113 113 ASP H H 113 7.000 7.000 8.615 -1.615 25437 8626 1 14 . 1 1 114 114 TRP N N 114 119.829 119.829 120.306 -0.477 25437 8627 1 14 . 1 1 114 114 TRP HA H 114 4.184 4.184 4.463 -0.279 25437 8628 1 14 . 1 1 114 114 TRP CA C 114 61.455 61.455 60.379 1.076 25437 8629 1 14 . 1 1 114 114 TRP CB C 114 26.427 26.427 29.443 -3.016 25437 8630 1 14 . 1 1 114 114 TRP H H 114 7.589 7.589 8.132 -0.543 25437 8631 1 14 . 1 1 115 115 ASN N N 115 117.900 117.900 117.301 0.599 25437 8632 1 14 . 1 1 115 115 ASN HA H 115 4.548 4.548 4.188 0.360 25437 8633 1 14 . 1 1 115 115 ASN CA C 115 55.955 55.955 55.803 0.152 25437 8634 1 14 . 1 1 115 115 ASN CB C 115 36.818 36.818 37.236 -0.418 25437 8635 1 14 . 1 1 115 115 ASN H H 115 9.503 9.503 7.655 1.848 25437 8636 1 14 . 1 1 116 116 ALA N N 116 123.758 123.758 121.239 2.519 25437 8637 1 14 . 1 1 116 116 ALA HA H 116 4.181 4.181 4.102 0.079 25437 8638 1 14 . 1 1 116 116 ALA CA C 116 53.111 53.111 54.230 -1.119 25437 8639 1 14 . 1 1 116 116 ALA CB C 116 16.596 16.596 18.371 -1.775 25437 8640 1 14 . 1 1 116 116 ALA H H 116 8.079 8.079 7.349 0.730 25437 8641 1 14 . 1 1 117 117 SER N N 117 116.009 116.009 112.778 3.231 25437 8642 1 14 . 1 1 117 117 SER HA H 117 4.417 4.417 4.320 0.097 25437 8643 1 14 . 1 1 117 117 SER CA C 117 59.433 59.433 59.299 0.134 25437 8644 1 14 . 1 1 117 117 SER CB C 117 65.026 65.026 64.005 1.021 25437 8645 1 14 . 1 1 117 117 SER H H 117 9.460 9.460 7.733 1.727 25437 8646 1 14 . 1 1 118 118 GLY N N 118 115.031 115.031 108.767 6.264 25437 8647 1 14 . 1 1 118 118 GLY CA C 118 45.197 45.197 45.057 0.140 25437 8648 1 14 . 1 1 118 118 GLY H H 118 10.733 10.733 7.719 3.014 25437 8649 1 14 . 1 1 119 119 ASP N N 119 116.435 116.435 122.199 -5.764 25437 8650 1 14 . 1 1 119 119 ASP HA H 119 4.590 4.590 4.845 -0.255 25437 8651 1 14 . 1 1 119 119 ASP CA C 119 53.181 53.181 54.778 -1.597 25437 8652 1 14 . 1 1 119 119 ASP CB C 119 43.864 43.864 41.689 2.175 25437 8653 1 14 . 1 1 119 119 ASP H H 119 7.770 7.770 8.447 -0.677 25437 8654 1 14 . 1 1 120 120 TYR N N 120 120.253 120.253 116.674 3.579 25437 8655 1 14 . 1 1 120 120 TYR HA H 120 6.088 6.088 4.779 1.309 25437 8656 1 14 . 1 1 120 120 TYR CA C 120 56.003 56.003 57.603 -1.600 25437 8657 1 14 . 1 1 120 120 TYR CB C 120 40.371 40.371 39.321 1.050 25437 8658 1 14 . 1 1 120 120 TYR H H 120 6.801 6.801 8.696 -1.895 25437 8659 1 14 . 1 1 121 121 HIS HA H 121 4.537 4.537 4.394 0.143 25437 8660 1 14 . 1 1 121 121 HIS CA C 121 59.002 59.002 57.522 1.480 25437 8661 1 14 . 1 1 121 121 HIS CB C 121 27.950 27.950 30.494 -2.543 25437 8662 1 14 . 1 1 122 122 ASP N N 122 111.622 111.622 118.188 -6.566 25437 8663 1 14 . 1 1 122 122 ASP HA H 122 4.815 4.815 4.177 0.638 25437 8664 1 14 . 1 1 122 122 ASP CA C 122 51.612 51.612 54.907 -3.295 25437 8665 1 14 . 1 1 122 122 ASP CB C 122 36.980 36.980 40.397 -3.417 25437 8666 1 14 . 1 1 122 122 ASP H H 122 8.154 8.154 7.736 0.418 25437 8667 1 14 . 1 1 124 124 ILE N N 124 119.763 119.763 120.263 -0.500 25437 8668 1 14 . 1 1 124 124 ILE HA H 124 3.843 3.843 3.808 0.035 25437 8669 1 14 . 1 1 124 124 ILE CA C 124 64.714 64.714 65.209 -0.495 25437 8670 1 14 . 1 1 124 124 ILE CB C 124 36.859 36.859 38.091 -1.232 25437 8671 1 14 . 1 1 124 124 ILE H H 124 7.639 7.639 8.833 -1.194 25437 8672 1 14 . 1 1 125 125 LYS N N 125 121.010 121.010 118.870 2.140 25437 8673 1 14 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.073 0.036 25437 8674 1 14 . 1 1 125 125 LYS CA C 125 59.241 59.241 58.560 0.681 25437 8675 1 14 . 1 1 125 125 LYS CB C 125 31.985 31.985 31.347 0.638 25437 8676 1 14 . 1 1 125 125 LYS H H 125 7.739 7.739 8.610 -0.871 25437 8677 1 14 . 1 1 126 126 ARG N N 126 115.276 115.276 118.917 -3.641 25437 8678 1 14 . 1 1 126 126 ARG HA H 126 4.338 4.338 4.179 0.159 25437 8679 1 14 . 1 1 126 126 ARG CA C 126 57.189 57.189 56.902 0.287 25437 8680 1 14 . 1 1 126 126 ARG CB C 126 31.015 31.015 31.097 -0.082 25437 8681 1 14 . 1 1 126 126 ARG H H 126 7.904 7.904 7.590 0.314 25437 8682 1 14 . 1 1 127 127 GLY N N 127 107.767 107.767 107.030 0.737 25437 8683 1 14 . 1 1 127 127 GLY CA C 127 45.822 45.822 44.477 1.345 25437 8684 1 14 . 1 1 127 127 GLY H H 127 7.912 7.912 7.854 0.058 25437 8685 1 14 . 1 1 128 128 THR N N 128 107.570 107.570 116.643 -9.073 25437 8686 1 14 . 1 1 128 128 THR HA H 128 4.252 4.252 4.259 -0.007 25437 8687 1 14 . 1 1 128 128 THR CA C 128 60.620 60.620 62.100 -1.480 25437 8688 1 14 . 1 1 128 128 THR CB C 128 69.224 69.224 69.287 -0.063 25437 8689 1 14 . 1 1 128 128 THR H H 128 8.121 8.121 7.680 0.441 25437 8690 1 14 . 1 1 129 129 TYR N N 129 123.143 123.143 129.419 -6.276 25437 8691 1 14 . 1 1 129 129 TYR HA H 129 4.173 4.173 4.738 -0.565 25437 8692 1 14 . 1 1 129 129 TYR CA C 129 61.448 61.448 56.047 5.402 25437 8693 1 14 . 1 1 129 129 TYR CB C 129 38.796 38.796 39.394 -0.598 25437 8694 1 14 . 1 1 129 129 TYR H H 129 7.209 7.209 8.604 -1.395 25437 8695 1 14 . 1 1 130 130 ASP N N 130 117.930 117.930 121.924 -3.994 25437 8696 1 14 . 1 1 130 130 ASP HA H 130 4.641 4.641 4.249 0.392 25437 8697 1 14 . 1 1 130 130 ASP CA C 130 53.440 53.440 56.577 -3.137 25437 8698 1 14 . 1 1 130 130 ASP CB C 130 43.221 43.221 40.875 2.346 25437 8699 1 14 . 1 1 130 130 ASP H H 130 8.216 8.216 7.473 0.743 25437 8700 1 14 . 1 1 132 132 GLY N N 132 107.481 107.481 108.160 -0.679 25437 8701 1 14 . 1 1 132 132 GLY CA C 132 44.013 44.013 44.768 -0.755 25437 8702 1 14 . 1 1 132 132 GLY H H 132 8.304 8.304 7.639 0.665 25437 8703 1 14 . 1 1 133 133 HIS N N 133 117.609 117.609 119.057 -1.448 25437 8704 1 14 . 1 1 133 133 HIS HA H 133 5.430 5.430 5.224 0.206 25437 8705 1 14 . 1 1 133 133 HIS CA C 133 57.155 57.155 55.130 2.025 25437 8706 1 14 . 1 1 133 133 HIS CB C 133 31.667 31.667 32.743 -1.076 25437 8707 1 14 . 1 1 133 133 HIS H H 133 6.942 6.942 7.428 -0.486 25437 8708 1 14 . 1 1 134 134 VAL N N 134 133.201 133.201 121.865 11.336 25437 8709 1 14 . 1 1 134 134 VAL HA H 134 4.254 4.254 5.208 -0.954 25437 8710 1 14 . 1 1 134 134 VAL CA C 134 61.676 61.676 59.812 1.863 25437 8711 1 14 . 1 1 134 134 VAL CB C 134 34.775 34.775 34.416 0.359 25437 8712 1 14 . 1 1 134 134 VAL H H 134 9.127 9.127 8.835 0.292 25437 8713 1 14 . 1 1 135 135 GLU N N 135 119.904 119.904 125.150 -5.246 25437 8714 1 14 . 1 1 135 135 GLU HA H 135 5.458 5.458 4.959 0.499 25437 8715 1 14 . 1 1 135 135 GLU CA C 135 52.126 52.126 52.690 -0.564 25437 8716 1 14 . 1 1 135 135 GLU CB C 135 34.550 34.550 33.304 1.246 25437 8717 1 14 . 1 1 135 135 GLU H H 135 8.501 8.501 8.015 0.486 25437 8718 1 14 . 1 1 136 136 LEU N N 136 119.357 119.357 122.180 -2.823 25437 8719 1 14 . 1 1 136 136 LEU HA H 136 4.432 4.432 4.382 0.050 25437 8720 1 14 . 1 1 136 136 LEU CA C 136 54.772 54.772 55.056 -0.284 25437 8721 1 14 . 1 1 136 136 LEU CB C 136 42.524 42.524 41.433 1.091 25437 8722 1 14 . 1 1 136 136 LEU H H 136 8.280 8.280 7.950 0.330 25437 8723 1 15 . 1 1 3 3 PHE N N 3 121.785 121.785 128.585 -6.800 25437 8724 1 15 . 1 1 3 3 PHE HA H 3 4.792 4.792 4.015 0.777 25437 8725 1 15 . 1 1 3 3 PHE CA C 3 56.407 56.407 59.287 -2.880 25437 8726 1 15 . 1 1 3 3 PHE CB C 3 40.111 40.111 39.329 0.782 25437 8727 1 15 . 1 1 3 3 PHE H H 3 8.534 8.534 8.350 0.184 25437 8728 1 15 . 1 1 4 4 LYS N N 4 119.409 119.409 123.785 -4.376 25437 8729 1 15 . 1 1 4 4 LYS HA H 4 4.452 4.452 4.011 0.441 25437 8730 1 15 . 1 1 4 4 LYS CA C 4 54.774 54.774 54.051 0.723 25437 8731 1 15 . 1 1 4 4 LYS CB C 4 35.710 35.710 34.504 1.206 25437 8732 1 15 . 1 1 4 4 LYS H H 4 8.367 8.367 7.200 1.167 25437 8733 1 15 . 1 1 5 5 PHE N N 5 124.495 124.495 122.652 1.843 25437 8734 1 15 . 1 1 5 5 PHE HA H 5 4.873 4.873 4.505 0.368 25437 8735 1 15 . 1 1 5 5 PHE CA C 5 58.636 58.636 57.496 1.140 25437 8736 1 15 . 1 1 5 5 PHE CB C 5 39.217 39.217 37.863 1.354 25437 8737 1 15 . 1 1 5 5 PHE H H 5 8.603 8.603 7.815 0.788 25437 8738 1 15 . 1 1 6 6 GLY N N 6 108.622 108.622 110.982 -2.360 25437 8739 1 15 . 1 1 6 6 GLY CA C 6 43.819 43.819 44.623 -0.804 25437 8740 1 15 . 1 1 6 6 GLY H H 6 8.559 8.559 8.281 0.278 25437 8741 1 15 . 1 1 7 7 LYS N N 7 119.341 119.341 119.363 -0.022 25437 8742 1 15 . 1 1 7 7 LYS HA H 7 3.958 3.958 3.961 -0.003 25437 8743 1 15 . 1 1 7 7 LYS CA C 7 60.087 60.087 59.478 0.609 25437 8744 1 15 . 1 1 7 7 LYS CB C 7 32.399 32.399 32.360 0.039 25437 8745 1 15 . 1 1 7 7 LYS H H 7 8.692 8.692 8.606 0.086 25437 8746 1 15 . 1 1 8 8 ASN N N 8 118.555 118.555 117.617 0.938 25437 8747 1 15 . 1 1 8 8 ASN HA H 8 4.551 4.551 4.648 -0.097 25437 8748 1 15 . 1 1 8 8 ASN CA C 8 56.776 56.776 56.021 0.755 25437 8749 1 15 . 1 1 8 8 ASN CB C 8 36.961 36.961 37.831 -0.871 25437 8750 1 15 . 1 1 8 8 ASN H H 8 9.185 9.185 8.659 0.526 25437 8751 1 15 . 1 1 9 9 SER N N 9 118.632 118.632 117.876 0.756 25437 8752 1 15 . 1 1 9 9 SER HA H 9 4.283 4.283 4.162 0.121 25437 8753 1 15 . 1 1 9 9 SER CA C 9 62.790 62.790 62.655 0.135 25437 8754 1 15 . 1 1 9 9 SER CB C 9 62.790 62.790 63.034 -0.244 25437 8755 1 15 . 1 1 9 9 SER H H 9 8.076 8.076 8.173 -0.097 25437 8756 1 15 . 1 1 10 10 GLU N N 10 120.882 120.882 121.049 -0.167 25437 8757 1 15 . 1 1 10 10 GLU HA H 10 3.977 3.977 4.092 -0.115 25437 8758 1 15 . 1 1 10 10 GLU CA C 10 59.409 59.409 59.270 0.139 25437 8759 1 15 . 1 1 10 10 GLU CB C 10 28.556 28.556 29.599 -1.043 25437 8760 1 15 . 1 1 10 10 GLU H H 10 8.351 8.351 8.529 -0.178 25437 8761 1 15 . 1 1 11 11 LYS N N 11 120.030 120.030 118.234 1.796 25437 8762 1 15 . 1 1 11 11 LYS HA H 11 4.056 4.056 4.117 -0.061 25437 8763 1 15 . 1 1 11 11 LYS CA C 11 59.477 59.477 58.373 1.105 25437 8764 1 15 . 1 1 11 11 LYS CB C 11 32.032 32.032 31.868 0.164 25437 8765 1 15 . 1 1 11 11 LYS H H 11 7.937 7.937 7.600 0.337 25437 8766 1 15 . 1 1 12 12 GLN N N 12 114.749 114.749 119.648 -4.899 25437 8767 1 15 . 1 1 12 12 GLN HA H 12 4.147 4.147 4.104 0.043 25437 8768 1 15 . 1 1 12 12 GLN CA C 12 57.373 57.373 59.001 -1.627 25437 8769 1 15 . 1 1 12 12 GLN CB C 12 28.511 28.511 28.890 -0.379 25437 8770 1 15 . 1 1 12 12 GLN H H 12 7.562 7.562 7.872 -0.310 25437 8771 1 15 . 1 1 13 13 LEU N N 13 121.751 121.751 118.524 3.227 25437 8772 1 15 . 1 1 13 13 LEU HA H 13 3.880 3.880 4.229 -0.349 25437 8773 1 15 . 1 1 13 13 LEU CA C 13 57.080 57.080 56.313 0.767 25437 8774 1 15 . 1 1 13 13 LEU CB C 13 42.413 42.413 40.493 1.919 25437 8775 1 15 . 1 1 13 13 LEU H H 13 8.725 8.725 8.263 0.462 25437 8776 1 15 . 1 1 14 14 ALA N N 14 116.323 116.323 119.842 -3.519 25437 8777 1 15 . 1 1 14 14 ALA HA H 14 4.070 4.070 4.236 -0.166 25437 8778 1 15 . 1 1 14 14 ALA CA C 14 53.706 53.706 53.656 0.050 25437 8779 1 15 . 1 1 14 14 ALA CB C 14 18.020 18.020 18.794 -0.774 25437 8780 1 15 . 1 1 14 14 ALA H H 14 7.574 7.574 7.425 0.149 25437 8781 1 15 . 1 1 15 15 THR N N 15 104.034 104.034 108.937 -4.903 25437 8782 1 15 . 1 1 15 15 THR HA H 15 4.431 4.431 4.437 -0.006 25437 8783 1 15 . 1 1 15 15 THR CA C 15 62.381 62.381 61.051 1.329 25437 8784 1 15 . 1 1 15 15 THR CB C 15 70.327 70.327 69.996 0.331 25437 8785 1 15 . 1 1 15 15 THR H H 15 7.326 7.326 7.290 0.036 25437 8786 1 15 . 1 1 16 16 VAL N N 16 112.438 112.438 122.367 -9.929 25437 8787 1 15 . 1 1 16 16 VAL HA H 16 4.922 4.922 3.869 1.053 25437 8788 1 15 . 1 1 16 16 VAL CA C 16 59.661 59.661 63.228 -3.567 25437 8789 1 15 . 1 1 16 16 VAL CB C 16 32.989 32.989 32.800 0.189 25437 8790 1 15 . 1 1 16 16 VAL H H 16 7.164 7.164 7.246 -0.082 25437 8791 1 15 . 1 1 17 17 LYS N N 17 120.729 120.729 128.727 -7.998 25437 8792 1 15 . 1 1 17 17 LYS HA H 17 4.230 4.230 4.361 -0.131 25437 8793 1 15 . 1 1 17 17 LYS CA C 17 55.486 55.486 57.946 -2.460 25437 8794 1 15 . 1 1 17 17 LYS CB C 17 32.079 32.079 30.946 1.133 25437 8795 1 15 . 1 1 17 17 LYS H H 17 8.907 8.907 8.731 0.176 25437 8796 1 15 . 1 1 18 18 PRO HA H 18 4.130 4.130 4.481 -0.351 25437 8797 1 15 . 1 1 18 18 PRO CA C 18 65.813 65.813 63.025 2.788 25437 8798 1 15 . 1 1 18 18 PRO CB C 18 31.864 31.864 32.055 -0.191 25437 8799 1 15 . 1 1 19 19 GLU N N 19 117.608 117.608 117.775 -0.167 25437 8800 1 15 . 1 1 19 19 GLU HA H 19 4.011 4.011 4.414 -0.403 25437 8801 1 15 . 1 1 19 19 GLU CA C 19 61.031 61.031 56.594 4.437 25437 8802 1 15 . 1 1 19 19 GLU CB C 19 29.117 29.117 29.144 -0.027 25437 8803 1 15 . 1 1 19 19 GLU H H 19 9.714 9.714 8.724 0.990 25437 8804 1 15 . 1 1 20 20 LEU N N 20 117.938 117.938 118.615 -0.677 25437 8805 1 15 . 1 1 20 20 LEU HA H 20 4.258 4.258 3.970 0.288 25437 8806 1 15 . 1 1 20 20 LEU CA C 20 56.261 56.261 57.982 -1.721 25437 8807 1 15 . 1 1 20 20 LEU CB C 20 41.894 41.894 40.755 1.139 25437 8808 1 15 . 1 1 20 20 LEU H H 20 7.188 7.188 7.891 -0.703 25437 8809 1 15 . 1 1 21 21 GLN N N 21 118.367 118.367 118.333 0.034 25437 8810 1 15 . 1 1 21 21 GLN HA H 21 3.831 3.831 3.965 -0.134 25437 8811 1 15 . 1 1 21 21 GLN CA C 21 60.100 60.100 58.605 1.495 25437 8812 1 15 . 1 1 21 21 GLN CB C 21 27.745 27.745 27.500 0.245 25437 8813 1 15 . 1 1 21 21 GLN H H 21 7.805 7.805 8.447 -0.642 25437 8814 1 15 . 1 1 22 22 LYS N N 22 116.715 116.715 120.378 -3.663 25437 8815 1 15 . 1 1 22 22 LYS HA H 22 3.962 3.962 3.963 -0.001 25437 8816 1 15 . 1 1 22 22 LYS CA C 22 59.816 59.816 59.646 0.170 25437 8817 1 15 . 1 1 22 22 LYS CB C 22 32.520 32.520 31.931 0.589 25437 8818 1 15 . 1 1 22 22 LYS H H 22 8.143 8.143 8.162 -0.019 25437 8819 1 15 . 1 1 23 23 VAL N N 23 118.397 118.397 119.176 -0.779 25437 8820 1 15 . 1 1 23 23 VAL HA H 23 3.591 3.591 3.568 0.023 25437 8821 1 15 . 1 1 23 23 VAL CA C 23 66.313 66.313 66.162 0.151 25437 8822 1 15 . 1 1 23 23 VAL CB C 23 31.529 31.529 30.959 0.570 25437 8823 1 15 . 1 1 23 23 VAL H H 23 7.715 7.715 7.505 0.210 25437 8824 1 15 . 1 1 24 24 ALA N N 24 121.929 121.929 122.034 -0.105 25437 8825 1 15 . 1 1 24 24 ALA HA H 24 4.024 4.024 3.372 0.652 25437 8826 1 15 . 1 1 24 24 ALA CA C 24 55.444 55.444 55.217 0.227 25437 8827 1 15 . 1 1 24 24 ALA CB C 24 18.086 18.086 18.293 -0.207 25437 8828 1 15 . 1 1 24 24 ALA H H 24 8.307 8.307 7.382 0.925 25437 8829 1 15 . 1 1 25 25 ARG N N 25 114.491 114.491 119.219 -4.728 25437 8830 1 15 . 1 1 25 25 ARG HA H 25 4.114 4.114 4.264 -0.150 25437 8831 1 15 . 1 1 25 25 ARG CA C 25 60.717 60.717 59.922 0.795 25437 8832 1 15 . 1 1 25 25 ARG CB C 25 29.257 29.257 30.413 -1.156 25437 8833 1 15 . 1 1 25 25 ARG H H 25 8.224 8.224 8.452 -0.228 25437 8834 1 15 . 1 1 26 26 ARG N N 26 119.944 119.944 119.018 0.926 25437 8835 1 15 . 1 1 26 26 ARG HA H 26 4.223 4.223 3.998 0.225 25437 8836 1 15 . 1 1 26 26 ARG CA C 26 57.097 57.097 59.163 -2.066 25437 8837 1 15 . 1 1 26 26 ARG CB C 26 28.888 28.888 30.137 -1.249 25437 8838 1 15 . 1 1 26 26 ARG H H 26 7.703 7.703 8.055 -0.352 25437 8839 1 15 . 1 1 27 27 ALA N N 27 122.041 122.041 122.831 -0.790 25437 8840 1 15 . 1 1 27 27 ALA HA H 27 3.611 3.611 3.913 -0.302 25437 8841 1 15 . 1 1 27 27 ALA CA C 27 55.249 55.249 55.002 0.247 25437 8842 1 15 . 1 1 27 27 ALA CB C 27 15.829 15.829 17.726 -1.897 25437 8843 1 15 . 1 1 27 27 ALA H H 27 8.754 8.754 8.252 0.502 25437 8844 1 15 . 1 1 28 28 LEU N N 28 117.421 117.421 118.270 -0.849 25437 8845 1 15 . 1 1 28 28 LEU HA H 28 4.053 4.053 4.149 -0.096 25437 8846 1 15 . 1 1 28 28 LEU CA C 28 57.757 57.757 58.266 -0.508 25437 8847 1 15 . 1 1 28 28 LEU CB C 28 40.351 40.351 42.011 -1.660 25437 8848 1 15 . 1 1 28 28 LEU H H 28 7.657 7.657 8.011 -0.354 25437 8849 1 15 . 1 1 29 29 GLU N N 29 114.911 114.911 117.510 -2.599 25437 8850 1 15 . 1 1 29 29 GLU HA H 29 4.023 4.023 4.140 -0.117 25437 8851 1 15 . 1 1 29 29 GLU CA C 29 58.489 58.489 57.994 0.495 25437 8852 1 15 . 1 1 29 29 GLU CB C 29 29.540 29.540 30.147 -0.607 25437 8853 1 15 . 1 1 29 29 GLU H H 29 7.039 7.039 7.544 -0.505 25437 8854 1 15 . 1 1 30 30 LEU N N 30 117.166 117.166 119.055 -1.889 25437 8855 1 15 . 1 1 30 30 LEU HA H 30 4.281 4.281 4.028 0.253 25437 8856 1 15 . 1 1 30 30 LEU CA C 30 55.266 55.266 56.689 -1.423 25437 8857 1 15 . 1 1 30 30 LEU CB C 30 44.403 44.403 42.384 2.019 25437 8858 1 15 . 1 1 30 30 LEU H H 30 7.353 7.353 8.126 -0.773 25437 8859 1 15 . 1 1 31 31 SER N N 31 116.260 116.260 114.718 1.542 25437 8860 1 15 . 1 1 31 31 SER HA H 31 4.557 4.557 4.259 0.298 25437 8861 1 15 . 1 1 31 31 SER CA C 31 55.723 55.723 57.702 -1.979 25437 8862 1 15 . 1 1 31 31 SER CB C 31 65.560 65.560 64.257 1.304 25437 8863 1 15 . 1 1 31 31 SER H H 31 7.742 7.742 7.901 -0.159 25437 8864 1 15 . 1 1 32 32 PRO HA H 32 4.609 4.609 4.268 0.341 25437 8865 1 15 . 1 1 32 32 PRO CA C 32 63.483 63.483 64.161 -0.678 25437 8866 1 15 . 1 1 32 32 PRO CB C 32 31.236 31.236 31.637 -0.401 25437 8867 1 15 . 1 1 33 33 TYR N N 33 114.714 114.714 118.540 -3.826 25437 8868 1 15 . 1 1 33 33 TYR HA H 33 4.710 4.710 4.698 0.012 25437 8869 1 15 . 1 1 33 33 TYR CA C 33 56.742 56.742 55.068 1.674 25437 8870 1 15 . 1 1 33 33 TYR CB C 33 41.506 41.506 39.024 2.482 25437 8871 1 15 . 1 1 33 33 TYR H H 33 7.727 7.727 7.108 0.619 25437 8872 1 15 . 1 1 34 34 ASP N N 34 125.197 125.197 119.581 5.616 25437 8873 1 15 . 1 1 34 34 ASP HA H 34 3.524 3.524 4.609 -1.085 25437 8874 1 15 . 1 1 34 34 ASP CA C 34 52.353 52.353 54.160 -1.807 25437 8875 1 15 . 1 1 34 34 ASP CB C 34 37.720 37.720 41.983 -4.263 25437 8876 1 15 . 1 1 34 34 ASP H H 34 8.630 8.630 8.765 -0.135 25437 8877 1 15 . 1 1 35 35 PHE N N 35 115.803 115.803 113.299 2.504 25437 8878 1 15 . 1 1 35 35 PHE HA H 35 5.131 5.131 5.588 -0.457 25437 8879 1 15 . 1 1 35 35 PHE CA C 35 55.839 55.839 56.460 -0.621 25437 8880 1 15 . 1 1 35 35 PHE CB C 35 40.751 40.751 42.883 -2.132 25437 8881 1 15 . 1 1 35 35 PHE H H 35 7.250 7.250 8.052 -0.802 25437 8882 1 15 . 1 1 36 36 THR N N 36 113.338 113.338 117.541 -4.203 25437 8883 1 15 . 1 1 36 36 THR HA H 36 4.769 4.769 4.601 0.168 25437 8884 1 15 . 1 1 36 36 THR CA C 36 58.833 58.833 59.637 -0.804 25437 8885 1 15 . 1 1 36 36 THR CB C 36 71.387 71.387 70.012 1.375 25437 8886 1 15 . 1 1 36 36 THR H H 36 9.026 9.026 9.053 -0.027 25437 8887 1 15 . 1 1 37 37 ILE N N 37 124.219 124.219 129.050 -4.831 25437 8888 1 15 . 1 1 37 37 ILE HA H 37 4.676 4.676 4.206 0.470 25437 8889 1 15 . 1 1 37 37 ILE CA C 37 58.395 58.395 62.770 -4.375 25437 8890 1 15 . 1 1 37 37 ILE CB C 37 34.649 34.649 37.749 -3.100 25437 8891 1 15 . 1 1 37 37 ILE H H 37 8.476 8.476 9.103 -0.627 25437 8892 1 15 . 1 1 38 38 VAL N N 38 124.271 124.271 125.705 -1.434 25437 8893 1 15 . 1 1 38 38 VAL HA H 38 3.981 3.981 4.253 -0.272 25437 8894 1 15 . 1 1 38 38 VAL CA C 38 63.144 63.144 62.836 0.308 25437 8895 1 15 . 1 1 38 38 VAL CB C 38 32.658 32.658 32.913 -0.255 25437 8896 1 15 . 1 1 38 38 VAL H H 38 8.640 8.640 8.584 0.056 25437 8897 1 15 . 1 1 39 39 GLN N N 39 115.210 115.210 116.085 -0.875 25437 8898 1 15 . 1 1 39 39 GLN HA H 39 4.378 4.378 4.683 -0.305 25437 8899 1 15 . 1 1 39 39 GLN CA C 39 56.197 56.197 55.215 0.982 25437 8900 1 15 . 1 1 39 39 GLN CB C 39 33.463 33.463 32.969 0.493 25437 8901 1 15 . 1 1 39 39 GLN H H 39 7.305 7.305 8.015 -0.710 25437 8902 1 15 . 1 1 40 40 GLY N N 40 116.022 116.022 110.030 5.992 25437 8903 1 15 . 1 1 40 40 GLY CA C 40 45.347 45.347 45.243 0.104 25437 8904 1 15 . 1 1 40 40 GLY H H 40 8.851 8.851 8.837 0.014 25437 8905 1 15 . 1 1 41 41 ILE N N 41 132.358 132.358 120.747 11.611 25437 8906 1 15 . 1 1 41 41 ILE HA H 41 4.715 4.715 4.432 0.283 25437 8907 1 15 . 1 1 41 41 ILE CA C 41 61.575 61.575 58.998 2.577 25437 8908 1 15 . 1 1 41 41 ILE CB C 41 38.774 38.774 41.524 -2.750 25437 8909 1 15 . 1 1 41 41 ILE H H 41 8.776 8.776 8.022 0.754 25437 8910 1 15 . 1 1 42 42 ARG N N 42 123.358 123.358 127.370 -4.012 25437 8911 1 15 . 1 1 42 42 ARG HA H 42 4.725 4.725 4.577 0.148 25437 8912 1 15 . 1 1 42 42 ARG CA C 42 54.576 54.576 55.351 -0.775 25437 8913 1 15 . 1 1 42 42 ARG CB C 42 33.425 33.425 30.475 2.950 25437 8914 1 15 . 1 1 42 42 ARG H H 42 7.154 7.154 8.694 -1.540 25437 8915 1 15 . 1 1 43 43 THR N N 43 115.494 115.494 117.396 -1.902 25437 8916 1 15 . 1 1 43 43 THR HA H 43 4.539 4.539 4.377 0.162 25437 8917 1 15 . 1 1 43 43 THR CA C 43 61.022 61.022 61.442 -0.420 25437 8918 1 15 . 1 1 43 43 THR CB C 43 70.577 70.577 69.651 0.926 25437 8919 1 15 . 1 1 43 43 THR H H 43 8.519 8.519 8.475 0.044 25437 8920 1 15 . 1 1 44 44 VAL N N 44 121.526 121.526 115.969 5.557 25437 8921 1 15 . 1 1 44 44 VAL HA H 44 3.956 3.956 4.086 -0.130 25437 8922 1 15 . 1 1 44 44 VAL CA C 44 63.977 63.977 64.188 -0.211 25437 8923 1 15 . 1 1 44 44 VAL CB C 44 32.313 32.313 31.047 1.266 25437 8924 1 15 . 1 1 44 44 VAL H H 44 8.516 8.516 8.424 0.092 25437 8925 1 15 . 1 1 45 45 ALA N N 45 125.457 125.457 122.102 3.355 25437 8926 1 15 . 1 1 45 45 ALA HA H 45 4.260 4.260 4.393 -0.133 25437 8927 1 15 . 1 1 45 45 ALA CA C 45 53.278 53.278 53.438 -0.160 25437 8928 1 15 . 1 1 45 45 ALA CB C 45 18.641 18.641 19.365 -0.724 25437 8929 1 15 . 1 1 45 45 ALA H H 45 8.311 8.311 7.949 0.362 25437 8930 1 15 . 1 1 46 46 GLN N N 46 118.271 118.271 119.951 -1.680 25437 8931 1 15 . 1 1 46 46 GLN HA H 46 4.232 4.232 4.064 0.168 25437 8932 1 15 . 1 1 46 46 GLN CA C 46 56.717 56.717 58.654 -1.938 25437 8933 1 15 . 1 1 46 46 GLN CB C 46 28.901 28.901 28.185 0.716 25437 8934 1 15 . 1 1 46 46 GLN H H 46 8.109 8.109 8.387 -0.278 25437 8935 1 15 . 1 1 47 47 SER N N 47 116.127 116.127 113.888 2.239 25437 8936 1 15 . 1 1 47 47 SER HA H 47 4.361 4.361 4.110 0.251 25437 8937 1 15 . 1 1 47 47 SER CA C 47 59.082 59.082 60.928 -1.847 25437 8938 1 15 . 1 1 47 47 SER CB C 47 64.009 64.009 62.879 1.130 25437 8939 1 15 . 1 1 47 47 SER H H 47 8.199 8.199 7.948 0.251 25437 8940 1 15 . 1 1 48 48 ALA N N 48 124.628 124.628 122.994 1.634 25437 8941 1 15 . 1 1 48 48 ALA HA H 48 4.253 4.253 4.127 0.126 25437 8942 1 15 . 1 1 48 48 ALA CA C 48 53.325 53.325 54.155 -0.830 25437 8943 1 15 . 1 1 48 48 ALA CB C 48 18.552 18.552 18.749 -0.197 25437 8944 1 15 . 1 1 48 48 ALA H H 48 8.315 8.315 8.121 0.194 25437 8945 1 15 . 1 1 49 49 GLN N N 49 119.160 119.160 116.900 2.260 25437 8946 1 15 . 1 1 49 49 GLN HA H 49 4.232 4.232 4.151 0.081 25437 8947 1 15 . 1 1 49 49 GLN CA C 49 56.850 56.850 57.103 -0.253 25437 8948 1 15 . 1 1 49 49 GLN CB C 49 28.992 28.992 28.730 0.262 25437 8949 1 15 . 1 1 49 49 GLN H H 49 8.153 8.153 8.040 0.113 25437 8950 1 15 . 1 1 50 50 ASN N N 50 119.112 119.112 118.893 0.219 25437 8951 1 15 . 1 1 50 50 ASN HA H 50 4.660 4.660 4.455 0.205 25437 8952 1 15 . 1 1 50 50 ASN CA C 50 53.572 53.572 55.917 -2.345 25437 8953 1 15 . 1 1 50 50 ASN CB C 50 38.376 38.376 38.398 -0.022 25437 8954 1 15 . 1 1 50 50 ASN H H 50 8.205 8.205 8.077 0.128 25437 8955 1 15 . 1 1 51 51 ILE N N 51 120.639 120.639 114.255 6.384 25437 8956 1 15 . 1 1 51 51 ILE HA H 51 4.095 4.095 4.374 -0.279 25437 8957 1 15 . 1 1 51 51 ILE CA C 51 61.954 61.954 58.651 3.304 25437 8958 1 15 . 1 1 51 51 ILE CB C 51 38.414 38.414 35.983 2.431 25437 8959 1 15 . 1 1 51 51 ILE H H 51 7.939 7.939 7.209 0.730 25437 8960 1 15 . 1 1 52 52 ALA N N 52 126.459 126.459 124.703 1.756 25437 8961 1 15 . 1 1 52 52 ALA HA H 52 4.246 4.246 3.890 0.356 25437 8962 1 15 . 1 1 52 52 ALA CA C 52 53.189 53.189 54.838 -1.649 25437 8963 1 15 . 1 1 52 52 ALA CB C 52 18.453 18.453 18.449 0.004 25437 8964 1 15 . 1 1 52 52 ALA H H 52 8.251 8.251 8.017 0.234 25437 8965 1 15 . 1 1 53 53 ASN N N 53 116.801 116.801 116.301 0.500 25437 8966 1 15 . 1 1 53 53 ASN HA H 53 4.648 4.648 4.435 0.213 25437 8967 1 15 . 1 1 53 53 ASN CA C 53 53.425 53.425 55.172 -1.746 25437 8968 1 15 . 1 1 53 53 ASN CB C 53 38.600 38.600 38.676 -0.076 25437 8969 1 15 . 1 1 53 53 ASN H H 53 8.230 8.230 8.287 -0.057 25437 8970 1 15 . 1 1 54 54 GLY N N 54 108.549 108.549 106.384 2.165 25437 8971 1 15 . 1 1 54 54 GLY CA C 54 45.746 45.746 45.053 0.693 25437 8972 1 15 . 1 1 54 54 GLY H H 54 8.191 8.191 7.679 0.512 25437 8973 1 15 . 1 1 55 55 THR N N 55 112.528 112.528 116.961 -4.433 25437 8974 1 15 . 1 1 55 55 THR HA H 55 4.282 4.282 3.948 0.334 25437 8975 1 15 . 1 1 55 55 THR CA C 55 62.118 62.118 62.609 -0.491 25437 8976 1 15 . 1 1 55 55 THR CB C 55 69.796 69.796 69.119 0.677 25437 8977 1 15 . 1 1 55 55 THR H H 55 8.003 8.003 7.866 0.137 25437 8978 1 15 . 1 1 56 56 SER N N 56 116.986 116.986 120.996 -4.010 25437 8979 1 15 . 1 1 56 56 SER HA H 56 4.362 4.362 4.324 0.038 25437 8980 1 15 . 1 1 56 56 SER CA C 56 58.454 58.454 59.304 -0.850 25437 8981 1 15 . 1 1 56 56 SER CB C 56 63.762 63.762 63.536 0.226 25437 8982 1 15 . 1 1 56 56 SER H H 56 8.043 8.043 8.355 -0.312 25437 8983 1 15 . 1 1 57 57 PHE N N 57 121.981 121.981 118.795 3.186 25437 8984 1 15 . 1 1 57 57 PHE HA H 57 4.579 4.579 4.398 0.181 25437 8985 1 15 . 1 1 57 57 PHE CA C 57 57.929 57.929 58.228 -0.299 25437 8986 1 15 . 1 1 57 57 PHE CB C 57 39.068 39.068 38.233 0.835 25437 8987 1 15 . 1 1 57 57 PHE H H 57 8.120 8.120 7.503 0.617 25437 8988 1 15 . 1 1 58 58 LEU N N 58 121.621 121.621 121.495 0.126 25437 8989 1 15 . 1 1 58 58 LEU HA H 58 4.174 4.174 4.466 -0.292 25437 8990 1 15 . 1 1 58 58 LEU CA C 58 55.350 55.350 53.580 1.770 25437 8991 1 15 . 1 1 58 58 LEU CB C 58 42.340 42.340 41.297 1.043 25437 8992 1 15 . 1 1 58 58 LEU H H 58 7.806 7.806 6.724 1.082 25437 8993 1 15 . 1 1 59 59 LYS N N 59 120.388 120.388 119.642 0.746 25437 8994 1 15 . 1 1 59 59 LYS HA H 59 4.230 4.230 4.246 -0.016 25437 8995 1 15 . 1 1 59 59 LYS CA C 59 55.823 55.823 56.291 -0.468 25437 8996 1 15 . 1 1 59 59 LYS CB C 59 32.616 32.616 31.746 0.870 25437 8997 1 15 . 1 1 59 59 LYS H H 59 8.068 8.068 7.402 0.666 25437 8998 1 15 . 1 1 60 60 ASP N N 60 121.094 121.094 118.308 2.786 25437 8999 1 15 . 1 1 60 60 ASP HA H 60 4.828 4.828 4.741 0.087 25437 9000 1 15 . 1 1 60 60 ASP CA C 60 53.698 53.698 53.177 0.521 25437 9001 1 15 . 1 1 60 60 ASP CB C 60 41.652 41.652 39.384 2.268 25437 9002 1 15 . 1 1 60 60 ASP H H 60 7.959 7.959 8.052 -0.093 25437 9003 1 15 . 1 1 61 61 PRO HA H 61 4.388 4.388 4.575 -0.187 25437 9004 1 15 . 1 1 61 61 PRO CA C 61 63.263 63.263 62.896 0.367 25437 9005 1 15 . 1 1 61 61 PRO CB C 61 31.697 31.697 31.175 0.522 25437 9006 1 15 . 1 1 62 62 SER N N 62 115.353 115.353 117.936 -2.583 25437 9007 1 15 . 1 1 62 62 SER HA H 62 4.365 4.365 4.482 -0.117 25437 9008 1 15 . 1 1 62 62 SER CA C 62 59.258 59.258 58.677 0.581 25437 9009 1 15 . 1 1 62 62 SER CB C 62 63.634 63.634 63.563 0.070 25437 9010 1 15 . 1 1 62 62 SER H H 62 8.420 8.420 8.096 0.324 25437 9011 1 15 . 1 1 63 63 LYS N N 63 122.360 122.360 121.187 1.173 25437 9012 1 15 . 1 1 63 63 LYS HA H 63 4.266 4.266 4.350 -0.084 25437 9013 1 15 . 1 1 63 63 LYS CA C 63 56.628 56.628 57.221 -0.593 25437 9014 1 15 . 1 1 63 63 LYS CB C 63 29.327 29.327 32.569 -3.242 25437 9015 1 15 . 1 1 63 63 LYS H H 63 8.405 8.405 7.964 0.441 25437 9016 1 15 . 1 1 65 65 LYS N N 65 125.418 125.418 119.765 5.653 25437 9017 1 15 . 1 1 65 65 LYS HA H 65 4.146 4.146 4.493 -0.347 25437 9018 1 15 . 1 1 65 65 LYS CA C 65 63.350 63.350 58.187 5.163 25437 9019 1 15 . 1 1 65 65 LYS CB C 65 31.891 31.891 32.748 -0.857 25437 9020 1 15 . 1 1 65 65 LYS H H 65 8.369 8.369 8.819 -0.450 25437 9021 1 15 . 1 1 66 66 HIS N N 66 121.236 121.236 120.167 1.069 25437 9022 1 15 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.413 0.132 25437 9023 1 15 . 1 1 66 66 HIS CA C 66 59.256 59.256 59.037 0.219 25437 9024 1 15 . 1 1 66 66 HIS CB C 66 28.619 28.619 29.530 -0.912 25437 9025 1 15 . 1 1 66 66 HIS H H 66 8.758 8.758 8.260 0.498 25437 9026 1 15 . 1 1 67 67 ILE N N 67 120.137 120.137 120.682 -0.545 25437 9027 1 15 . 1 1 67 67 ILE HA H 67 4.372 4.372 3.939 0.433 25437 9028 1 15 . 1 1 67 67 ILE CA C 67 63.961 63.961 64.056 -0.095 25437 9029 1 15 . 1 1 67 67 ILE CB C 67 37.935 37.935 36.452 1.483 25437 9030 1 15 . 1 1 67 67 ILE H H 67 7.849 7.849 8.214 -0.365 25437 9031 1 15 . 1 1 68 68 THR N N 68 104.067 104.067 108.412 -4.345 25437 9032 1 15 . 1 1 68 68 THR HA H 68 4.397 4.397 4.477 -0.080 25437 9033 1 15 . 1 1 68 68 THR CA C 68 61.343 61.343 61.911 -0.569 25437 9034 1 15 . 1 1 68 68 THR CB C 68 68.473 68.473 69.766 -1.293 25437 9035 1 15 . 1 1 68 68 THR H H 68 7.168 7.168 7.884 -0.716 25437 9036 1 15 . 1 1 69 69 GLY N N 69 107.308 107.308 110.981 -3.673 25437 9037 1 15 . 1 1 69 69 GLY CA C 69 46.665 46.665 46.064 0.601 25437 9038 1 15 . 1 1 69 69 GLY H H 69 7.169 7.169 7.871 -0.702 25437 9039 1 15 . 1 1 70 70 ASP N N 70 114.629 114.629 117.625 -2.996 25437 9040 1 15 . 1 1 70 70 ASP HA H 70 4.734 4.734 4.622 0.112 25437 9041 1 15 . 1 1 70 70 ASP CA C 70 54.627 54.627 53.401 1.226 25437 9042 1 15 . 1 1 70 70 ASP CB C 70 44.451 44.451 41.227 3.224 25437 9043 1 15 . 1 1 70 70 ASP H H 70 7.644 7.644 7.821 -0.177 25437 9044 1 15 . 1 1 71 71 ALA N N 71 118.917 118.917 119.132 -0.215 25437 9045 1 15 . 1 1 71 71 ALA HA H 71 5.062 5.062 4.759 0.303 25437 9046 1 15 . 1 1 71 71 ALA CA C 71 51.498 51.498 51.383 0.115 25437 9047 1 15 . 1 1 71 71 ALA CB C 71 21.994 21.994 21.899 0.094 25437 9048 1 15 . 1 1 71 71 ALA H H 71 7.529 7.529 7.204 0.325 25437 9049 1 15 . 1 1 72 72 ILE N N 72 110.818 110.818 113.312 -2.494 25437 9050 1 15 . 1 1 72 72 ILE HA H 72 5.249 5.249 4.430 0.819 25437 9051 1 15 . 1 1 72 72 ILE CA C 72 58.821 58.821 60.411 -1.590 25437 9052 1 15 . 1 1 72 72 ILE CB C 72 43.709 43.709 42.070 1.639 25437 9053 1 15 . 1 1 72 72 ILE H H 72 8.449 8.449 8.811 -0.362 25437 9054 1 15 . 1 1 73 73 ASP N N 73 117.790 117.790 120.832 -3.042 25437 9055 1 15 . 1 1 73 73 ASP HA H 73 6.094 6.094 5.454 0.640 25437 9056 1 15 . 1 1 73 73 ASP CA C 73 52.090 52.090 53.119 -1.029 25437 9057 1 15 . 1 1 73 73 ASP CB C 73 42.655 42.655 45.474 -2.819 25437 9058 1 15 . 1 1 73 73 ASP H H 73 8.442 8.442 8.954 -0.512 25437 9059 1 15 . 1 1 74 74 PHE N N 74 122.479 122.479 120.987 1.492 25437 9060 1 15 . 1 1 74 74 PHE HA H 74 6.173 6.173 5.338 0.835 25437 9061 1 15 . 1 1 74 74 PHE CA C 74 54.775 54.775 55.965 -1.190 25437 9062 1 15 . 1 1 74 74 PHE CB C 74 44.115 44.115 42.328 1.788 25437 9063 1 15 . 1 1 74 74 PHE H H 74 9.463 9.463 7.998 1.465 25437 9064 1 15 . 1 1 75 75 ALA N N 75 118.862 118.862 121.672 -2.810 25437 9065 1 15 . 1 1 75 75 ALA HA H 75 4.453 4.453 4.253 0.200 25437 9066 1 15 . 1 1 75 75 ALA CA C 75 50.134 50.134 48.718 1.416 25437 9067 1 15 . 1 1 75 75 ALA CB C 75 21.020 21.020 21.253 -0.234 25437 9068 1 15 . 1 1 75 75 ALA H H 75 8.575 8.575 9.023 -0.448 25437 9069 1 15 . 1 1 76 76 PRO HA H 76 4.466 4.466 4.821 -0.355 25437 9070 1 15 . 1 1 76 76 PRO CA C 76 62.353 62.353 63.022 -0.669 25437 9071 1 15 . 1 1 76 76 PRO CB C 76 32.135 32.135 31.416 0.719 25437 9072 1 15 . 1 1 77 77 TYR N N 77 126.211 126.211 126.138 0.073 25437 9073 1 15 . 1 1 77 77 TYR HA H 77 4.835 4.835 4.640 0.195 25437 9074 1 15 . 1 1 77 77 TYR CA C 77 56.830 56.830 59.002 -2.171 25437 9075 1 15 . 1 1 77 77 TYR CB C 77 40.384 40.384 40.619 -0.235 25437 9076 1 15 . 1 1 77 77 TYR H H 77 8.357 8.357 8.507 -0.150 25437 9077 1 15 . 1 1 78 78 ILE N N 78 124.613 124.613 124.181 0.432 25437 9078 1 15 . 1 1 78 78 ILE HA H 78 4.210 4.210 4.344 -0.134 25437 9079 1 15 . 1 1 78 78 ILE CA C 78 59.941 59.941 60.339 -0.398 25437 9080 1 15 . 1 1 78 78 ILE CB C 78 40.652 40.652 41.846 -1.194 25437 9081 1 15 . 1 1 78 78 ILE H H 78 8.334 8.334 8.934 -0.600 25437 9082 1 15 . 1 1 79 79 ASN N N 79 126.361 126.361 126.079 0.282 25437 9083 1 15 . 1 1 79 79 ASN HA H 79 4.339 4.339 4.437 -0.098 25437 9084 1 15 . 1 1 79 79 ASN CA C 79 53.937 53.937 53.549 0.388 25437 9085 1 15 . 1 1 79 79 ASN CB C 79 36.887 36.887 37.807 -0.920 25437 9086 1 15 . 1 1 79 79 ASN H H 79 9.444 9.444 9.200 0.244 25437 9087 1 15 . 1 1 80 80 GLY N N 80 102.068 102.068 102.450 -0.382 25437 9088 1 15 . 1 1 80 80 GLY CA C 80 45.663 45.663 45.777 -0.114 25437 9089 1 15 . 1 1 80 80 GLY H H 80 8.240 8.240 8.923 -0.683 25437 9090 1 15 . 1 1 81 81 LYS N N 81 117.260 117.260 116.239 1.021 25437 9091 1 15 . 1 1 81 81 LYS HA H 81 4.534 4.534 4.391 0.143 25437 9092 1 15 . 1 1 81 81 LYS CA C 81 54.226 54.226 53.682 0.544 25437 9093 1 15 . 1 1 81 81 LYS CB C 81 35.655 35.655 35.145 0.510 25437 9094 1 15 . 1 1 81 81 LYS H H 81 7.046 7.046 7.480 -0.434 25437 9095 1 15 . 1 1 82 82 ILE N N 82 122.347 122.347 120.684 1.663 25437 9096 1 15 . 1 1 82 82 ILE HA H 82 4.091 4.091 3.374 0.717 25437 9097 1 15 . 1 1 82 82 ILE CA C 82 62.621 62.621 62.101 0.520 25437 9098 1 15 . 1 1 82 82 ILE CB C 82 37.833 37.833 37.765 0.068 25437 9099 1 15 . 1 1 82 82 ILE H H 82 8.418 8.418 8.287 0.131 25437 9100 1 15 . 1 1 83 83 ASP N N 83 128.498 128.498 127.541 0.957 25437 9101 1 15 . 1 1 83 83 ASP HA H 83 4.808 4.808 4.726 0.082 25437 9102 1 15 . 1 1 83 83 ASP CA C 83 51.619 51.619 53.190 -1.571 25437 9103 1 15 . 1 1 83 83 ASP CB C 83 41.079 41.079 39.904 1.175 25437 9104 1 15 . 1 1 83 83 ASP H H 83 8.028 8.028 8.243 -0.215 25437 9105 1 15 . 1 1 84 84 TRP N N 84 121.807 121.807 122.446 -0.639 25437 9106 1 15 . 1 1 84 84 TRP HA H 84 4.574 4.574 4.572 0.002 25437 9107 1 15 . 1 1 84 84 TRP CA C 84 58.456 58.456 58.240 0.216 25437 9108 1 15 . 1 1 84 84 TRP CB C 84 30.177 30.177 30.386 -0.209 25437 9109 1 15 . 1 1 84 84 TRP H H 84 8.081 8.081 7.762 0.319 25437 9110 1 15 . 1 1 85 85 ASN N N 85 113.227 113.227 114.382 -1.155 25437 9111 1 15 . 1 1 85 85 ASN HA H 85 4.975 4.975 4.874 0.101 25437 9112 1 15 . 1 1 85 85 ASN CA C 85 53.430 53.430 53.502 -0.071 25437 9113 1 15 . 1 1 85 85 ASN CB C 85 40.162 40.162 39.891 0.272 25437 9114 1 15 . 1 1 85 85 ASN H H 85 8.386 8.386 8.153 0.233 25437 9115 1 15 . 1 1 86 86 ASP N N 86 118.821 118.821 121.171 -2.350 25437 9116 1 15 . 1 1 86 86 ASP HA H 86 4.813 4.813 4.843 -0.030 25437 9117 1 15 . 1 1 86 86 ASP CA C 86 52.255 52.255 52.884 -0.629 25437 9118 1 15 . 1 1 86 86 ASP CB C 86 37.613 37.613 40.350 -2.737 25437 9119 1 15 . 1 1 86 86 ASP H H 86 7.405 7.405 8.013 -0.608 25437 9120 1 15 . 1 1 87 87 LEU N N 87 127.177 127.177 122.217 4.960 25437 9121 1 15 . 1 1 87 87 LEU HA H 87 4.055 4.055 4.159 -0.104 25437 9122 1 15 . 1 1 87 87 LEU CA C 87 58.321 58.321 57.072 1.249 25437 9123 1 15 . 1 1 87 87 LEU CB C 87 40.887 40.887 42.126 -1.239 25437 9124 1 15 . 1 1 87 87 LEU H H 87 8.274 8.274 8.401 -0.127 25437 9125 1 15 . 1 1 88 88 GLU N N 88 114.132 114.132 119.908 -5.776 25437 9126 1 15 . 1 1 88 88 GLU HA H 88 3.938 3.938 4.017 -0.079 25437 9127 1 15 . 1 1 88 88 GLU CA C 88 59.437 59.437 59.544 -0.107 25437 9128 1 15 . 1 1 88 88 GLU CB C 88 27.987 27.987 29.261 -1.274 25437 9129 1 15 . 1 1 88 88 GLU H H 88 8.257 8.257 8.242 0.015 25437 9130 1 15 . 1 1 89 89 ALA N N 89 122.075 122.075 121.602 0.473 25437 9131 1 15 . 1 1 89 89 ALA HA H 89 3.799 3.799 4.390 -0.591 25437 9132 1 15 . 1 1 89 89 ALA CA C 89 54.703 54.703 54.468 0.235 25437 9133 1 15 . 1 1 89 89 ALA CB C 89 17.635 17.635 18.294 -0.659 25437 9134 1 15 . 1 1 89 89 ALA H H 89 7.418 7.418 8.169 -0.751 25437 9135 1 15 . 1 1 90 90 PHE N N 90 116.551 116.551 120.064 -3.513 25437 9136 1 15 . 1 1 90 90 PHE HA H 90 4.025 4.025 4.310 -0.285 25437 9137 1 15 . 1 1 90 90 PHE CA C 90 64.150 64.150 60.055 4.095 25437 9138 1 15 . 1 1 90 90 PHE CB C 90 38.965 38.965 39.240 -0.275 25437 9139 1 15 . 1 1 90 90 PHE H H 90 7.777 7.777 7.670 0.107 25437 9140 1 15 . 1 1 91 91 TRP N N 91 119.390 119.390 119.308 0.082 25437 9141 1 15 . 1 1 91 91 TRP HA H 91 4.578 4.578 4.185 0.393 25437 9142 1 15 . 1 1 91 91 TRP CA C 91 59.217 59.217 60.179 -0.962 25437 9143 1 15 . 1 1 91 91 TRP CB C 91 29.802 29.802 29.687 0.115 25437 9144 1 15 . 1 1 91 91 TRP H H 91 7.821 7.821 8.144 -0.323 25437 9145 1 15 . 1 1 92 92 ALA N N 92 121.275 121.275 122.061 -0.786 25437 9146 1 15 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.271 -0.147 25437 9147 1 15 . 1 1 92 92 ALA CA C 92 55.229 55.229 54.900 0.329 25437 9148 1 15 . 1 1 92 92 ALA CB C 92 18.870 18.870 18.498 0.371 25437 9149 1 15 . 1 1 92 92 ALA H H 92 8.242 8.242 7.625 0.617 25437 9150 1 15 . 1 1 93 93 VAL N N 93 120.454 120.454 118.916 1.538 25437 9151 1 15 . 1 1 93 93 VAL HA H 93 3.600 3.600 3.792 -0.192 25437 9152 1 15 . 1 1 93 93 VAL CA C 93 66.424 66.424 65.066 1.359 25437 9153 1 15 . 1 1 93 93 VAL CB C 93 30.676 30.676 31.444 -0.767 25437 9154 1 15 . 1 1 93 93 VAL H H 93 8.259 8.259 8.151 0.108 25437 9155 1 15 . 1 1 94 94 LYS N N 94 122.098 122.098 119.644 2.454 25437 9156 1 15 . 1 1 94 94 LYS HA H 94 3.690 3.690 3.633 0.057 25437 9157 1 15 . 1 1 94 94 LYS CA C 94 60.959 60.959 59.545 1.414 25437 9158 1 15 . 1 1 94 94 LYS CB C 94 31.484 31.484 31.387 0.097 25437 9159 1 15 . 1 1 94 94 LYS H H 94 8.382 8.382 7.634 0.748 25437 9160 1 15 . 1 1 95 95 LYS N N 95 118.030 118.030 117.825 0.205 25437 9161 1 15 . 1 1 95 95 LYS HA H 95 3.958 3.958 4.268 -0.310 25437 9162 1 15 . 1 1 95 95 LYS CA C 95 59.212 59.212 59.033 0.179 25437 9163 1 15 . 1 1 95 95 LYS CB C 95 31.219 31.219 32.245 -1.026 25437 9164 1 15 . 1 1 95 95 LYS H H 95 7.957 7.957 7.515 0.442 25437 9165 1 15 . 1 1 96 96 ALA N N 96 124.359 124.359 121.905 2.454 25437 9166 1 15 . 1 1 96 96 ALA HA H 96 4.229 4.229 4.132 0.097 25437 9167 1 15 . 1 1 96 96 ALA CA C 96 55.422 55.422 55.029 0.393 25437 9168 1 15 . 1 1 96 96 ALA CB C 96 17.148 17.148 18.044 -0.896 25437 9169 1 15 . 1 1 96 96 ALA H H 96 7.668 7.668 7.560 0.108 25437 9170 1 15 . 1 1 97 97 PHE N N 97 117.446 117.446 119.031 -1.585 25437 9171 1 15 . 1 1 97 97 PHE HA H 97 3.883 3.883 4.165 -0.282 25437 9172 1 15 . 1 1 97 97 PHE CA C 97 63.187 63.187 61.966 1.221 25437 9173 1 15 . 1 1 97 97 PHE CB C 97 40.401 40.401 39.322 1.079 25437 9174 1 15 . 1 1 97 97 PHE H H 97 8.369 8.369 7.620 0.749 25437 9175 1 15 . 1 1 98 98 GLU N N 98 119.148 119.148 117.986 1.162 25437 9176 1 15 . 1 1 98 98 GLU HA H 98 4.140 4.140 3.892 0.248 25437 9177 1 15 . 1 1 98 98 GLU CA C 98 59.610 59.610 58.908 0.702 25437 9178 1 15 . 1 1 98 98 GLU CB C 98 29.444 29.444 28.945 0.499 25437 9179 1 15 . 1 1 98 98 GLU H H 98 8.821 8.821 8.086 0.735 25437 9180 1 15 . 1 1 99 99 GLN N N 99 120.727 120.727 119.231 1.496 25437 9181 1 15 . 1 1 99 99 GLN HA H 99 4.061 4.061 4.102 -0.041 25437 9182 1 15 . 1 1 99 99 GLN CA C 99 59.130 59.130 58.245 0.885 25437 9183 1 15 . 1 1 99 99 GLN CB C 99 27.524 27.524 28.817 -1.293 25437 9184 1 15 . 1 1 99 99 GLN H H 99 8.436 8.436 8.042 0.394 25437 9185 1 15 . 1 1 100 100 ALA N N 100 122.603 122.603 121.905 0.698 25437 9186 1 15 . 1 1 100 100 ALA HA H 100 3.886 3.886 4.007 -0.121 25437 9187 1 15 . 1 1 100 100 ALA CA C 100 55.399 55.399 54.898 0.501 25437 9188 1 15 . 1 1 100 100 ALA CB C 100 19.472 19.472 18.180 1.292 25437 9189 1 15 . 1 1 100 100 ALA H H 100 8.433 8.433 8.331 0.102 25437 9190 1 15 . 1 1 101 101 GLY N N 101 104.253 104.253 104.492 -0.239 25437 9191 1 15 . 1 1 101 101 GLY CA C 101 47.843 47.843 46.446 1.397 25437 9192 1 15 . 1 1 101 101 GLY H H 101 9.035 9.035 7.891 1.144 25437 9193 1 15 . 1 1 102 102 LYS N N 102 121.912 121.912 121.699 0.213 25437 9194 1 15 . 1 1 102 102 LYS HA H 102 4.116 4.116 4.033 0.083 25437 9195 1 15 . 1 1 102 102 LYS CA C 102 59.314 59.314 59.143 0.171 25437 9196 1 15 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.169 0.010 25437 9197 1 15 . 1 1 102 102 LYS H H 102 7.928 7.928 7.865 0.063 25437 9198 1 15 . 1 1 103 103 GLU N N 103 119.382 119.382 118.700 0.682 25437 9199 1 15 . 1 1 103 103 GLU HA H 103 3.989 3.989 4.135 -0.146 25437 9200 1 15 . 1 1 103 103 GLU CA C 103 59.093 59.093 58.539 0.554 25437 9201 1 15 . 1 1 103 103 GLU CB C 103 30.127 30.127 29.247 0.880 25437 9202 1 15 . 1 1 103 103 GLU H H 103 8.406 8.406 7.601 0.805 25437 9203 1 15 . 1 1 104 104 LEU N N 104 115.551 115.551 119.047 -3.496 25437 9204 1 15 . 1 1 104 104 LEU HA H 104 4.360 4.360 4.227 0.133 25437 9205 1 15 . 1 1 104 104 LEU CA C 104 55.185 55.185 55.887 -0.702 25437 9206 1 15 . 1 1 104 104 LEU CB C 104 43.105 43.105 42.284 0.821 25437 9207 1 15 . 1 1 104 104 LEU H H 104 7.999 7.999 8.195 -0.196 25437 9208 1 15 . 1 1 105 105 GLY N N 105 110.561 110.561 105.838 4.723 25437 9209 1 15 . 1 1 105 105 GLY CA C 105 46.480 46.480 45.672 0.808 25437 9210 1 15 . 1 1 105 105 GLY H H 105 7.898 7.898 7.659 0.239 25437 9211 1 15 . 1 1 106 106 ILE N N 106 121.745 121.745 121.855 -0.110 25437 9212 1 15 . 1 1 106 106 ILE HA H 106 4.227 4.227 3.929 0.298 25437 9213 1 15 . 1 1 106 106 ILE CA C 106 59.717 59.717 61.322 -1.605 25437 9214 1 15 . 1 1 106 106 ILE CB C 106 41.096 41.096 38.349 2.748 25437 9215 1 15 . 1 1 106 106 ILE H H 106 8.428 8.428 7.837 0.591 25437 9216 1 15 . 1 1 107 107 LYS N N 107 127.736 127.736 127.389 0.347 25437 9217 1 15 . 1 1 107 107 LYS HA H 107 4.275 4.275 4.130 0.145 25437 9218 1 15 . 1 1 107 107 LYS CA C 107 57.224 57.224 57.356 -0.132 25437 9219 1 15 . 1 1 107 107 LYS CB C 107 32.752 32.752 32.760 -0.008 25437 9220 1 15 . 1 1 107 107 LYS H H 107 8.489 8.489 8.502 -0.013 25437 9221 1 15 . 1 1 108 108 LEU N N 108 122.881 122.881 121.763 1.118 25437 9222 1 15 . 1 1 108 108 LEU HA H 108 5.235 5.235 4.650 0.585 25437 9223 1 15 . 1 1 108 108 LEU CA C 108 53.287 53.287 54.566 -1.279 25437 9224 1 15 . 1 1 108 108 LEU CB C 108 47.016 47.016 44.277 2.739 25437 9225 1 15 . 1 1 108 108 LEU H H 108 8.049 8.049 7.979 0.070 25437 9226 1 15 . 1 1 109 109 ARG N N 109 120.726 120.726 123.926 -3.200 25437 9227 1 15 . 1 1 109 109 ARG HA H 109 4.438 4.438 4.112 0.326 25437 9228 1 15 . 1 1 109 109 ARG CA C 109 55.193 55.193 55.709 -0.516 25437 9229 1 15 . 1 1 109 109 ARG CB C 109 33.519 33.519 34.529 -1.010 25437 9230 1 15 . 1 1 109 109 ARG H H 109 8.736 8.736 8.008 0.728 25437 9231 1 15 . 1 1 110 110 PHE N N 110 121.516 121.516 120.317 1.199 25437 9232 1 15 . 1 1 110 110 PHE HA H 110 5.303 5.303 4.935 0.368 25437 9233 1 15 . 1 1 110 110 PHE CA C 110 56.644 56.644 55.578 1.066 25437 9234 1 15 . 1 1 110 110 PHE CB C 110 40.602 40.602 40.664 -0.062 25437 9235 1 15 . 1 1 110 110 PHE H H 110 8.707 8.707 8.010 0.697 25437 9236 1 15 . 1 1 111 111 GLY N N 111 108.992 108.992 108.927 0.065 25437 9237 1 15 . 1 1 111 111 GLY CA C 111 45.604 45.604 44.493 1.111 25437 9238 1 15 . 1 1 111 111 GLY H H 111 7.819 7.819 8.622 -0.803 25437 9239 1 15 . 1 1 112 112 ALA N N 112 111.448 111.448 126.531 -15.083 25437 9240 1 15 . 1 1 112 112 ALA HA H 112 3.858 3.858 4.751 -0.893 25437 9241 1 15 . 1 1 112 112 ALA CA C 112 52.083 52.083 52.397 -0.314 25437 9242 1 15 . 1 1 112 112 ALA CB C 112 18.655 18.655 19.825 -1.169 25437 9243 1 15 . 1 1 112 112 ALA H H 112 7.945 7.945 7.682 0.263 25437 9244 1 15 . 1 1 113 113 ASP N N 113 106.770 106.770 120.775 -14.005 25437 9245 1 15 . 1 1 113 113 ASP HA H 113 5.157 5.157 4.386 0.771 25437 9246 1 15 . 1 1 113 113 ASP CA C 113 52.285 52.285 57.857 -5.572 25437 9247 1 15 . 1 1 113 113 ASP CB C 113 41.465 41.465 40.708 0.757 25437 9248 1 15 . 1 1 113 113 ASP H H 113 7.000 7.000 8.917 -1.917 25437 9249 1 15 . 1 1 114 114 TRP N N 114 119.829 119.829 119.938 -0.109 25437 9250 1 15 . 1 1 114 114 TRP HA H 114 4.184 4.184 4.390 -0.206 25437 9251 1 15 . 1 1 114 114 TRP CA C 114 61.455 61.455 60.352 1.103 25437 9252 1 15 . 1 1 114 114 TRP CB C 114 26.427 26.427 29.180 -2.753 25437 9253 1 15 . 1 1 114 114 TRP H H 114 7.589 7.589 8.481 -0.892 25437 9254 1 15 . 1 1 115 115 ASN N N 115 117.900 117.900 117.063 0.837 25437 9255 1 15 . 1 1 115 115 ASN HA H 115 4.548 4.548 4.513 0.035 25437 9256 1 15 . 1 1 115 115 ASN CA C 115 55.955 55.955 55.626 0.329 25437 9257 1 15 . 1 1 115 115 ASN CB C 115 36.818 36.818 37.592 -0.774 25437 9258 1 15 . 1 1 115 115 ASN H H 115 9.503 9.503 8.117 1.386 25437 9259 1 15 . 1 1 116 116 ALA N N 116 123.758 123.758 123.057 0.701 25437 9260 1 15 . 1 1 116 116 ALA HA H 116 4.181 4.181 4.037 0.144 25437 9261 1 15 . 1 1 116 116 ALA CA C 116 53.111 53.111 54.101 -0.990 25437 9262 1 15 . 1 1 116 116 ALA CB C 116 16.596 16.596 17.994 -1.399 25437 9263 1 15 . 1 1 116 116 ALA H H 116 8.079 8.079 7.694 0.385 25437 9264 1 15 . 1 1 117 117 SER N N 117 116.009 116.009 112.550 3.459 25437 9265 1 15 . 1 1 117 117 SER HA H 117 4.417 4.417 4.132 0.285 25437 9266 1 15 . 1 1 117 117 SER CA C 117 59.433 59.433 60.480 -1.047 25437 9267 1 15 . 1 1 117 117 SER CB C 117 65.026 65.026 63.529 1.497 25437 9268 1 15 . 1 1 117 117 SER H H 117 9.460 9.460 7.762 1.698 25437 9269 1 15 . 1 1 118 118 GLY N N 118 115.031 115.031 107.889 7.142 25437 9270 1 15 . 1 1 118 118 GLY CA C 118 45.197 45.197 45.157 0.040 25437 9271 1 15 . 1 1 118 118 GLY H H 118 10.733 10.733 7.677 3.056 25437 9272 1 15 . 1 1 119 119 ASP N N 119 116.435 116.435 120.496 -4.061 25437 9273 1 15 . 1 1 119 119 ASP HA H 119 4.590 4.590 4.773 -0.183 25437 9274 1 15 . 1 1 119 119 ASP CA C 119 53.181 53.181 53.014 0.167 25437 9275 1 15 . 1 1 119 119 ASP CB C 119 43.864 43.864 42.469 1.395 25437 9276 1 15 . 1 1 119 119 ASP H H 119 7.770 7.770 7.847 -0.077 25437 9277 1 15 . 1 1 120 120 TYR N N 120 120.253 120.253 119.877 0.376 25437 9278 1 15 . 1 1 120 120 TYR HA H 120 6.088 6.088 4.472 1.616 25437 9279 1 15 . 1 1 120 120 TYR CA C 120 56.003 56.003 58.622 -2.619 25437 9280 1 15 . 1 1 120 120 TYR CB C 120 40.371 40.371 37.194 3.177 25437 9281 1 15 . 1 1 120 120 TYR H H 120 6.801 6.801 8.831 -2.030 25437 9282 1 15 . 1 1 121 121 HIS HA H 121 4.537 4.537 4.677 -0.140 25437 9283 1 15 . 1 1 121 121 HIS CA C 121 59.002 59.002 55.743 3.259 25437 9284 1 15 . 1 1 121 121 HIS CB C 121 27.950 27.950 29.177 -1.227 25437 9285 1 15 . 1 1 122 122 ASP N N 122 111.622 111.622 118.593 -6.971 25437 9286 1 15 . 1 1 122 122 ASP HA H 122 4.815 4.815 4.605 0.210 25437 9287 1 15 . 1 1 122 122 ASP CA C 122 51.612 51.612 55.702 -4.090 25437 9288 1 15 . 1 1 122 122 ASP CB C 122 36.980 36.980 40.889 -3.909 25437 9289 1 15 . 1 1 122 122 ASP H H 122 8.154 8.154 8.227 -0.073 25437 9290 1 15 . 1 1 124 124 ILE N N 124 119.763 119.763 119.886 -0.123 25437 9291 1 15 . 1 1 124 124 ILE HA H 124 3.843 3.843 3.880 -0.037 25437 9292 1 15 . 1 1 124 124 ILE CA C 124 64.714 64.714 64.067 0.647 25437 9293 1 15 . 1 1 124 124 ILE CB C 124 36.859 36.859 37.155 -0.296 25437 9294 1 15 . 1 1 124 124 ILE H H 124 7.639 7.639 8.750 -1.111 25437 9295 1 15 . 1 1 125 125 LYS N N 125 121.010 121.010 119.383 1.627 25437 9296 1 15 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.039 0.070 25437 9297 1 15 . 1 1 125 125 LYS CA C 125 59.241 59.241 58.655 0.586 25437 9298 1 15 . 1 1 125 125 LYS CB C 125 31.985 31.985 31.666 0.319 25437 9299 1 15 . 1 1 125 125 LYS H H 125 7.739 7.739 8.497 -0.758 25437 9300 1 15 . 1 1 126 126 ARG N N 126 115.276 115.276 117.755 -2.479 25437 9301 1 15 . 1 1 126 126 ARG HA H 126 4.338 4.338 4.241 0.097 25437 9302 1 15 . 1 1 126 126 ARG CA C 126 57.189 57.189 56.505 0.683 25437 9303 1 15 . 1 1 126 126 ARG CB C 126 31.015 31.015 30.235 0.780 25437 9304 1 15 . 1 1 126 126 ARG H H 126 7.904 7.904 7.929 -0.025 25437 9305 1 15 . 1 1 127 127 GLY N N 127 107.767 107.767 108.720 -0.953 25437 9306 1 15 . 1 1 127 127 GLY CA C 127 45.822 45.822 45.363 0.459 25437 9307 1 15 . 1 1 127 127 GLY H H 127 7.912 7.912 7.872 0.040 25437 9308 1 15 . 1 1 128 128 THR N N 128 107.570 107.570 112.967 -5.397 25437 9309 1 15 . 1 1 128 128 THR HA H 128 4.252 4.252 4.434 -0.182 25437 9310 1 15 . 1 1 128 128 THR CA C 128 60.620 60.620 59.669 0.951 25437 9311 1 15 . 1 1 128 128 THR CB C 128 69.224 69.224 70.145 -0.922 25437 9312 1 15 . 1 1 128 128 THR H H 128 8.121 8.121 7.478 0.643 25437 9313 1 15 . 1 1 129 129 TYR N N 129 123.143 123.143 122.265 0.878 25437 9314 1 15 . 1 1 129 129 TYR HA H 129 4.173 4.173 4.606 -0.433 25437 9315 1 15 . 1 1 129 129 TYR CA C 129 61.448 61.448 57.036 4.412 25437 9316 1 15 . 1 1 129 129 TYR CB C 129 38.796 38.796 38.588 0.208 25437 9317 1 15 . 1 1 129 129 TYR H H 129 7.209 7.209 8.636 -1.427 25437 9318 1 15 . 1 1 130 130 ASP N N 130 117.930 117.930 121.937 -4.007 25437 9319 1 15 . 1 1 130 130 ASP HA H 130 4.641 4.641 4.344 0.297 25437 9320 1 15 . 1 1 130 130 ASP CA C 130 53.440 53.440 56.077 -2.636 25437 9321 1 15 . 1 1 130 130 ASP CB C 130 43.221 43.221 40.266 2.955 25437 9322 1 15 . 1 1 130 130 ASP H H 130 8.216 8.216 8.193 0.023 25437 9323 1 15 . 1 1 132 132 GLY N N 132 107.481 107.481 111.593 -4.112 25437 9324 1 15 . 1 1 132 132 GLY CA C 132 44.013 44.013 44.984 -0.971 25437 9325 1 15 . 1 1 132 132 GLY H H 132 8.304 8.304 7.535 0.769 25437 9326 1 15 . 1 1 133 133 HIS N N 133 117.609 117.609 122.403 -4.794 25437 9327 1 15 . 1 1 133 133 HIS HA H 133 5.430 5.430 4.453 0.977 25437 9328 1 15 . 1 1 133 133 HIS CA C 133 57.155 57.155 56.746 0.409 25437 9329 1 15 . 1 1 133 133 HIS CB C 133 31.667 31.667 29.614 2.053 25437 9330 1 15 . 1 1 133 133 HIS H H 133 6.942 6.942 7.270 -0.328 25437 9331 1 15 . 1 1 134 134 VAL N N 134 133.201 133.201 122.721 10.480 25437 9332 1 15 . 1 1 134 134 VAL HA H 134 4.254 4.254 4.570 -0.316 25437 9333 1 15 . 1 1 134 134 VAL CA C 134 61.676 61.676 59.643 2.033 25437 9334 1 15 . 1 1 134 134 VAL CB C 134 34.775 34.775 32.925 1.850 25437 9335 1 15 . 1 1 134 134 VAL H H 134 9.127 9.127 8.000 1.127 25437 9336 1 15 . 1 1 135 135 GLU N N 135 119.904 119.904 123.853 -3.949 25437 9337 1 15 . 1 1 135 135 GLU HA H 135 5.458 5.458 4.930 0.528 25437 9338 1 15 . 1 1 135 135 GLU CA C 135 52.126 52.126 53.615 -1.489 25437 9339 1 15 . 1 1 135 135 GLU CB C 135 34.550 34.550 33.543 1.007 25437 9340 1 15 . 1 1 135 135 GLU H H 135 8.501 8.501 7.830 0.671 25437 9341 1 15 . 1 1 136 136 LEU N N 136 119.357 119.357 122.118 -2.761 25437 9342 1 15 . 1 1 136 136 LEU HA H 136 4.432 4.432 4.621 -0.189 25437 9343 1 15 . 1 1 136 136 LEU CA C 136 54.772 54.772 54.633 0.139 25437 9344 1 15 . 1 1 136 136 LEU CB C 136 42.524 42.524 42.107 0.417 25437 9345 1 15 . 1 1 136 136 LEU H H 136 8.280 8.280 8.572 -0.292 25437 9346 1 16 . 1 1 3 3 PHE N N 3 121.785 121.785 124.440 -2.655 25437 9347 1 16 . 1 1 3 3 PHE HA H 3 4.792 4.792 4.050 0.742 25437 9348 1 16 . 1 1 3 3 PHE CA C 3 56.407 56.407 59.475 -3.068 25437 9349 1 16 . 1 1 3 3 PHE CB C 3 40.111 40.111 39.339 0.772 25437 9350 1 16 . 1 1 3 3 PHE H H 3 8.534 8.534 8.488 0.046 25437 9351 1 16 . 1 1 4 4 LYS N N 4 119.409 119.409 122.930 -3.521 25437 9352 1 16 . 1 1 4 4 LYS HA H 4 4.452 4.452 4.047 0.405 25437 9353 1 16 . 1 1 4 4 LYS CA C 4 54.774 54.774 53.757 1.017 25437 9354 1 16 . 1 1 4 4 LYS CB C 4 35.710 35.710 34.889 0.820 25437 9355 1 16 . 1 1 4 4 LYS H H 4 8.367 8.367 7.133 1.234 25437 9356 1 16 . 1 1 5 5 PHE N N 5 124.495 124.495 121.057 3.438 25437 9357 1 16 . 1 1 5 5 PHE HA H 5 4.873 4.873 4.474 0.399 25437 9358 1 16 . 1 1 5 5 PHE CA C 5 58.636 58.636 57.211 1.425 25437 9359 1 16 . 1 1 5 5 PHE CB C 5 39.217 39.217 38.192 1.025 25437 9360 1 16 . 1 1 5 5 PHE H H 5 8.603 8.603 7.761 0.842 25437 9361 1 16 . 1 1 6 6 GLY N N 6 108.622 108.622 112.076 -3.454 25437 9362 1 16 . 1 1 6 6 GLY CA C 6 43.819 43.819 44.577 -0.758 25437 9363 1 16 . 1 1 6 6 GLY H H 6 8.559 8.559 8.420 0.139 25437 9364 1 16 . 1 1 7 7 LYS N N 7 119.341 119.341 120.518 -1.177 25437 9365 1 16 . 1 1 7 7 LYS HA H 7 3.958 3.958 4.320 -0.362 25437 9366 1 16 . 1 1 7 7 LYS CA C 7 60.087 60.087 59.872 0.215 25437 9367 1 16 . 1 1 7 7 LYS CB C 7 32.399 32.399 32.376 0.023 25437 9368 1 16 . 1 1 7 7 LYS H H 7 8.692 8.692 8.596 0.096 25437 9369 1 16 . 1 1 8 8 ASN N N 8 118.555 118.555 116.475 2.080 25437 9370 1 16 . 1 1 8 8 ASN HA H 8 4.551 4.551 4.644 -0.093 25437 9371 1 16 . 1 1 8 8 ASN CA C 8 56.776 56.776 56.061 0.715 25437 9372 1 16 . 1 1 8 8 ASN CB C 8 36.961 36.961 37.983 -1.022 25437 9373 1 16 . 1 1 8 8 ASN H H 8 9.185 9.185 8.609 0.576 25437 9374 1 16 . 1 1 9 9 SER N N 9 118.632 118.632 117.850 0.782 25437 9375 1 16 . 1 1 9 9 SER HA H 9 4.283 4.283 4.200 0.083 25437 9376 1 16 . 1 1 9 9 SER CA C 9 62.790 62.790 62.123 0.667 25437 9377 1 16 . 1 1 9 9 SER CB C 9 62.790 62.790 62.996 -0.206 25437 9378 1 16 . 1 1 9 9 SER H H 9 8.076 8.076 8.258 -0.182 25437 9379 1 16 . 1 1 10 10 GLU N N 10 120.882 120.882 120.066 0.816 25437 9380 1 16 . 1 1 10 10 GLU HA H 10 3.977 3.977 4.096 -0.119 25437 9381 1 16 . 1 1 10 10 GLU CA C 10 59.409 59.409 59.353 0.056 25437 9382 1 16 . 1 1 10 10 GLU CB C 10 28.556 28.556 29.203 -0.647 25437 9383 1 16 . 1 1 10 10 GLU H H 10 8.351 8.351 8.716 -0.365 25437 9384 1 16 . 1 1 11 11 LYS N N 11 120.030 120.030 120.127 -0.097 25437 9385 1 16 . 1 1 11 11 LYS HA H 11 4.056 4.056 4.070 -0.014 25437 9386 1 16 . 1 1 11 11 LYS CA C 11 59.477 59.477 58.776 0.701 25437 9387 1 16 . 1 1 11 11 LYS CB C 11 32.032 32.032 32.318 -0.286 25437 9388 1 16 . 1 1 11 11 LYS H H 11 7.937 7.937 7.435 0.502 25437 9389 1 16 . 1 1 12 12 GLN N N 12 114.749 114.749 118.873 -4.124 25437 9390 1 16 . 1 1 12 12 GLN HA H 12 4.147 4.147 4.063 0.084 25437 9391 1 16 . 1 1 12 12 GLN CA C 12 57.373 57.373 59.097 -1.724 25437 9392 1 16 . 1 1 12 12 GLN CB C 12 28.511 28.511 28.761 -0.250 25437 9393 1 16 . 1 1 12 12 GLN H H 12 7.562 7.562 7.977 -0.415 25437 9394 1 16 . 1 1 13 13 LEU N N 13 121.751 121.751 118.017 3.734 25437 9395 1 16 . 1 1 13 13 LEU HA H 13 3.880 3.880 4.265 -0.385 25437 9396 1 16 . 1 1 13 13 LEU CA C 13 57.080 57.080 56.402 0.678 25437 9397 1 16 . 1 1 13 13 LEU CB C 13 42.413 42.413 40.615 1.798 25437 9398 1 16 . 1 1 13 13 LEU H H 13 8.725 8.725 8.069 0.656 25437 9399 1 16 . 1 1 14 14 ALA N N 14 116.323 116.323 120.693 -4.370 25437 9400 1 16 . 1 1 14 14 ALA HA H 14 4.070 4.070 4.200 -0.130 25437 9401 1 16 . 1 1 14 14 ALA CA C 14 53.706 53.706 54.622 -0.916 25437 9402 1 16 . 1 1 14 14 ALA CB C 14 18.020 18.020 18.799 -0.779 25437 9403 1 16 . 1 1 14 14 ALA H H 14 7.574 7.574 7.937 -0.363 25437 9404 1 16 . 1 1 15 15 THR N N 15 104.034 104.034 112.158 -8.124 25437 9405 1 16 . 1 1 15 15 THR HA H 15 4.431 4.431 4.441 -0.010 25437 9406 1 16 . 1 1 15 15 THR CA C 15 62.381 62.381 62.743 -0.362 25437 9407 1 16 . 1 1 15 15 THR CB C 15 70.327 70.327 69.936 0.391 25437 9408 1 16 . 1 1 15 15 THR H H 15 7.326 7.326 7.616 -0.290 25437 9409 1 16 . 1 1 16 16 VAL N N 16 112.438 112.438 121.700 -9.262 25437 9410 1 16 . 1 1 16 16 VAL HA H 16 4.922 4.922 3.828 1.094 25437 9411 1 16 . 1 1 16 16 VAL CA C 16 59.661 59.661 63.696 -4.035 25437 9412 1 16 . 1 1 16 16 VAL CB C 16 32.989 32.989 32.607 0.382 25437 9413 1 16 . 1 1 16 16 VAL H H 16 7.164 7.164 7.218 -0.054 25437 9414 1 16 . 1 1 17 17 LYS N N 17 120.729 120.729 127.665 -6.936 25437 9415 1 16 . 1 1 17 17 LYS HA H 17 4.230 4.230 4.340 -0.110 25437 9416 1 16 . 1 1 17 17 LYS CA C 17 55.486 55.486 58.241 -2.755 25437 9417 1 16 . 1 1 17 17 LYS CB C 17 32.079 32.079 31.466 0.613 25437 9418 1 16 . 1 1 17 17 LYS H H 17 8.907 8.907 8.704 0.203 25437 9419 1 16 . 1 1 18 18 PRO HA H 18 4.130 4.130 4.480 -0.350 25437 9420 1 16 . 1 1 18 18 PRO CA C 18 65.813 65.813 63.003 2.810 25437 9421 1 16 . 1 1 18 18 PRO CB C 18 31.864 31.864 32.064 -0.200 25437 9422 1 16 . 1 1 19 19 GLU N N 19 117.608 117.608 117.858 -0.250 25437 9423 1 16 . 1 1 19 19 GLU HA H 19 4.011 4.011 4.416 -0.405 25437 9424 1 16 . 1 1 19 19 GLU CA C 19 61.031 61.031 56.646 4.385 25437 9425 1 16 . 1 1 19 19 GLU CB C 19 29.117 29.117 29.117 0.000 25437 9426 1 16 . 1 1 19 19 GLU H H 19 9.714 9.714 8.716 0.998 25437 9427 1 16 . 1 1 20 20 LEU N N 20 117.938 117.938 118.608 -0.670 25437 9428 1 16 . 1 1 20 20 LEU HA H 20 4.258 4.258 3.964 0.294 25437 9429 1 16 . 1 1 20 20 LEU CA C 20 56.261 56.261 58.062 -1.801 25437 9430 1 16 . 1 1 20 20 LEU CB C 20 41.894 41.894 40.650 1.244 25437 9431 1 16 . 1 1 20 20 LEU H H 20 7.188 7.188 7.935 -0.747 25437 9432 1 16 . 1 1 21 21 GLN N N 21 118.367 118.367 118.160 0.207 25437 9433 1 16 . 1 1 21 21 GLN HA H 21 3.831 3.831 3.966 -0.135 25437 9434 1 16 . 1 1 21 21 GLN CA C 21 60.100 60.100 58.619 1.481 25437 9435 1 16 . 1 1 21 21 GLN CB C 21 27.745 27.745 27.763 -0.018 25437 9436 1 16 . 1 1 21 21 GLN H H 21 7.805 7.805 8.393 -0.588 25437 9437 1 16 . 1 1 22 22 LYS N N 22 116.715 116.715 120.375 -3.660 25437 9438 1 16 . 1 1 22 22 LYS HA H 22 3.962 3.962 3.988 -0.026 25437 9439 1 16 . 1 1 22 22 LYS CA C 22 59.816 59.816 59.650 0.166 25437 9440 1 16 . 1 1 22 22 LYS CB C 22 32.520 32.520 32.018 0.502 25437 9441 1 16 . 1 1 22 22 LYS H H 22 8.143 8.143 8.219 -0.076 25437 9442 1 16 . 1 1 23 23 VAL N N 23 118.397 118.397 119.083 -0.686 25437 9443 1 16 . 1 1 23 23 VAL HA H 23 3.591 3.591 3.579 0.012 25437 9444 1 16 . 1 1 23 23 VAL CA C 23 66.313 66.313 65.977 0.337 25437 9445 1 16 . 1 1 23 23 VAL CB C 23 31.529 31.529 30.869 0.660 25437 9446 1 16 . 1 1 23 23 VAL H H 23 7.715 7.715 7.494 0.221 25437 9447 1 16 . 1 1 24 24 ALA N N 24 121.929 121.929 122.103 -0.174 25437 9448 1 16 . 1 1 24 24 ALA HA H 24 4.024 4.024 3.456 0.568 25437 9449 1 16 . 1 1 24 24 ALA CA C 24 55.444 55.444 55.362 0.082 25437 9450 1 16 . 1 1 24 24 ALA CB C 24 18.086 18.086 18.447 -0.361 25437 9451 1 16 . 1 1 24 24 ALA H H 24 8.307 8.307 7.465 0.842 25437 9452 1 16 . 1 1 25 25 ARG N N 25 114.491 114.491 118.292 -3.801 25437 9453 1 16 . 1 1 25 25 ARG HA H 25 4.114 4.114 4.088 0.026 25437 9454 1 16 . 1 1 25 25 ARG CA C 25 60.717 60.717 59.905 0.812 25437 9455 1 16 . 1 1 25 25 ARG CB C 25 29.257 29.257 30.206 -0.949 25437 9456 1 16 . 1 1 25 25 ARG H H 25 8.224 8.224 8.292 -0.068 25437 9457 1 16 . 1 1 26 26 ARG N N 26 119.944 119.944 118.947 0.997 25437 9458 1 16 . 1 1 26 26 ARG HA H 26 4.223 4.223 4.012 0.211 25437 9459 1 16 . 1 1 26 26 ARG CA C 26 57.097 57.097 59.143 -2.046 25437 9460 1 16 . 1 1 26 26 ARG CB C 26 28.888 28.888 30.094 -1.206 25437 9461 1 16 . 1 1 26 26 ARG H H 26 7.703 7.703 8.131 -0.428 25437 9462 1 16 . 1 1 27 27 ALA N N 27 122.041 122.041 123.036 -0.995 25437 9463 1 16 . 1 1 27 27 ALA HA H 27 3.611 3.611 3.993 -0.382 25437 9464 1 16 . 1 1 27 27 ALA CA C 27 55.249 55.249 55.004 0.245 25437 9465 1 16 . 1 1 27 27 ALA CB C 27 15.829 15.829 17.755 -1.926 25437 9466 1 16 . 1 1 27 27 ALA H H 27 8.754 8.754 8.291 0.463 25437 9467 1 16 . 1 1 28 28 LEU N N 28 117.421 117.421 118.473 -1.052 25437 9468 1 16 . 1 1 28 28 LEU HA H 28 4.053 4.053 4.207 -0.154 25437 9469 1 16 . 1 1 28 28 LEU CA C 28 57.757 57.757 58.254 -0.497 25437 9470 1 16 . 1 1 28 28 LEU CB C 28 40.351 40.351 42.041 -1.690 25437 9471 1 16 . 1 1 28 28 LEU H H 28 7.657 7.657 8.020 -0.363 25437 9472 1 16 . 1 1 29 29 GLU N N 29 114.911 114.911 117.770 -2.859 25437 9473 1 16 . 1 1 29 29 GLU HA H 29 4.023 4.023 4.148 -0.125 25437 9474 1 16 . 1 1 29 29 GLU CA C 29 58.489 58.489 58.057 0.432 25437 9475 1 16 . 1 1 29 29 GLU CB C 29 29.540 29.540 30.100 -0.560 25437 9476 1 16 . 1 1 29 29 GLU H H 29 7.039 7.039 7.446 -0.407 25437 9477 1 16 . 1 1 30 30 LEU N N 30 117.166 117.166 118.930 -1.764 25437 9478 1 16 . 1 1 30 30 LEU HA H 30 4.281 4.281 4.026 0.255 25437 9479 1 16 . 1 1 30 30 LEU CA C 30 55.266 55.266 56.680 -1.414 25437 9480 1 16 . 1 1 30 30 LEU CB C 30 44.403 44.403 42.383 2.020 25437 9481 1 16 . 1 1 30 30 LEU H H 30 7.353 7.353 8.245 -0.892 25437 9482 1 16 . 1 1 31 31 SER N N 31 116.260 116.260 114.780 1.480 25437 9483 1 16 . 1 1 31 31 SER HA H 31 4.557 4.557 4.346 0.211 25437 9484 1 16 . 1 1 31 31 SER CA C 31 55.723 55.723 57.513 -1.790 25437 9485 1 16 . 1 1 31 31 SER CB C 31 65.560 65.560 64.203 1.357 25437 9486 1 16 . 1 1 31 31 SER H H 31 7.742 7.742 7.961 -0.219 25437 9487 1 16 . 1 1 32 32 PRO HA H 32 4.609 4.609 4.251 0.358 25437 9488 1 16 . 1 1 32 32 PRO CA C 32 63.483 63.483 63.902 -0.419 25437 9489 1 16 . 1 1 32 32 PRO CB C 32 31.236 31.236 31.580 -0.344 25437 9490 1 16 . 1 1 33 33 TYR N N 33 114.714 114.714 117.536 -2.822 25437 9491 1 16 . 1 1 33 33 TYR HA H 33 4.710 4.710 4.766 -0.056 25437 9492 1 16 . 1 1 33 33 TYR CA C 33 56.742 56.742 55.563 1.179 25437 9493 1 16 . 1 1 33 33 TYR CB C 33 41.506 41.506 39.526 1.980 25437 9494 1 16 . 1 1 33 33 TYR H H 33 7.727 7.727 7.437 0.290 25437 9495 1 16 . 1 1 34 34 ASP N N 34 125.197 125.197 120.228 4.969 25437 9496 1 16 . 1 1 34 34 ASP HA H 34 3.524 3.524 4.572 -1.048 25437 9497 1 16 . 1 1 34 34 ASP CA C 34 52.353 52.353 54.379 -2.026 25437 9498 1 16 . 1 1 34 34 ASP CB C 34 37.720 37.720 41.831 -4.111 25437 9499 1 16 . 1 1 34 34 ASP H H 34 8.630 8.630 8.807 -0.177 25437 9500 1 16 . 1 1 35 35 PHE N N 35 115.803 115.803 112.766 3.037 25437 9501 1 16 . 1 1 35 35 PHE HA H 35 5.131 5.131 5.539 -0.408 25437 9502 1 16 . 1 1 35 35 PHE CA C 35 55.839 55.839 56.241 -0.402 25437 9503 1 16 . 1 1 35 35 PHE CB C 35 40.751 40.751 42.797 -2.046 25437 9504 1 16 . 1 1 35 35 PHE H H 35 7.250 7.250 8.052 -0.802 25437 9505 1 16 . 1 1 36 36 THR N N 36 113.338 113.338 117.860 -4.522 25437 9506 1 16 . 1 1 36 36 THR HA H 36 4.769 4.769 4.559 0.210 25437 9507 1 16 . 1 1 36 36 THR CA C 36 58.833 58.833 59.833 -1.000 25437 9508 1 16 . 1 1 36 36 THR CB C 36 71.387 71.387 69.794 1.593 25437 9509 1 16 . 1 1 36 36 THR H H 36 9.026 9.026 9.021 0.005 25437 9510 1 16 . 1 1 37 37 ILE N N 37 124.219 124.219 128.701 -4.482 25437 9511 1 16 . 1 1 37 37 ILE HA H 37 4.676 4.676 4.181 0.495 25437 9512 1 16 . 1 1 37 37 ILE CA C 37 58.395 58.395 62.355 -3.960 25437 9513 1 16 . 1 1 37 37 ILE CB C 37 34.649 34.649 37.527 -2.878 25437 9514 1 16 . 1 1 37 37 ILE H H 37 8.476 8.476 9.236 -0.760 25437 9515 1 16 . 1 1 38 38 VAL N N 38 124.271 124.271 126.136 -1.865 25437 9516 1 16 . 1 1 38 38 VAL HA H 38 3.981 3.981 4.221 -0.240 25437 9517 1 16 . 1 1 38 38 VAL CA C 38 63.144 63.144 63.126 0.018 25437 9518 1 16 . 1 1 38 38 VAL CB C 38 32.658 32.658 32.971 -0.313 25437 9519 1 16 . 1 1 38 38 VAL H H 38 8.640 8.640 8.800 -0.160 25437 9520 1 16 . 1 1 39 39 GLN N N 39 115.210 115.210 117.200 -1.990 25437 9521 1 16 . 1 1 39 39 GLN HA H 39 4.378 4.378 5.096 -0.718 25437 9522 1 16 . 1 1 39 39 GLN CA C 39 56.197 56.197 55.110 1.087 25437 9523 1 16 . 1 1 39 39 GLN CB C 39 33.463 33.463 33.106 0.357 25437 9524 1 16 . 1 1 39 39 GLN H H 39 7.305 7.305 8.150 -0.845 25437 9525 1 16 . 1 1 40 40 GLY N N 40 116.022 116.022 110.563 5.459 25437 9526 1 16 . 1 1 40 40 GLY CA C 40 45.347 45.347 44.950 0.397 25437 9527 1 16 . 1 1 40 40 GLY H H 40 8.851 8.851 9.438 -0.587 25437 9528 1 16 . 1 1 41 41 ILE N N 41 132.358 132.358 119.630 12.728 25437 9529 1 16 . 1 1 41 41 ILE HA H 41 4.715 4.715 4.509 0.206 25437 9530 1 16 . 1 1 41 41 ILE CA C 41 61.575 61.575 59.288 2.287 25437 9531 1 16 . 1 1 41 41 ILE CB C 41 38.774 38.774 42.117 -3.343 25437 9532 1 16 . 1 1 41 41 ILE H H 41 8.776 8.776 7.718 1.058 25437 9533 1 16 . 1 1 42 42 ARG N N 42 123.358 123.358 127.104 -3.746 25437 9534 1 16 . 1 1 42 42 ARG HA H 42 4.725 4.725 4.747 -0.022 25437 9535 1 16 . 1 1 42 42 ARG CA C 42 54.576 54.576 54.716 -0.140 25437 9536 1 16 . 1 1 42 42 ARG CB C 42 33.425 33.425 30.918 2.507 25437 9537 1 16 . 1 1 42 42 ARG H H 42 7.154 7.154 8.549 -1.395 25437 9538 1 16 . 1 1 43 43 THR N N 43 115.494 115.494 116.928 -1.434 25437 9539 1 16 . 1 1 43 43 THR HA H 43 4.539 4.539 4.622 -0.083 25437 9540 1 16 . 1 1 43 43 THR CA C 43 61.022 61.022 61.092 -0.070 25437 9541 1 16 . 1 1 43 43 THR CB C 43 70.577 70.577 69.814 0.763 25437 9542 1 16 . 1 1 43 43 THR H H 43 8.519 8.519 8.368 0.151 25437 9543 1 16 . 1 1 44 44 VAL N N 44 121.526 121.526 116.389 5.137 25437 9544 1 16 . 1 1 44 44 VAL HA H 44 3.956 3.956 4.192 -0.236 25437 9545 1 16 . 1 1 44 44 VAL CA C 44 63.977 63.977 64.204 -0.227 25437 9546 1 16 . 1 1 44 44 VAL CB C 44 32.313 32.313 31.655 0.658 25437 9547 1 16 . 1 1 44 44 VAL H H 44 8.516 8.516 8.329 0.187 25437 9548 1 16 . 1 1 45 45 ALA N N 45 125.457 125.457 120.958 4.499 25437 9549 1 16 . 1 1 45 45 ALA HA H 45 4.260 4.260 4.438 -0.178 25437 9550 1 16 . 1 1 45 45 ALA CA C 45 53.278 53.278 53.425 -0.146 25437 9551 1 16 . 1 1 45 45 ALA CB C 45 18.641 18.641 19.291 -0.650 25437 9552 1 16 . 1 1 45 45 ALA H H 45 8.311 8.311 7.965 0.346 25437 9553 1 16 . 1 1 46 46 GLN N N 46 118.271 118.271 120.743 -2.472 25437 9554 1 16 . 1 1 46 46 GLN HA H 46 4.232 4.232 4.149 0.083 25437 9555 1 16 . 1 1 46 46 GLN CA C 46 56.717 56.717 58.534 -1.817 25437 9556 1 16 . 1 1 46 46 GLN CB C 46 28.901 28.901 28.477 0.424 25437 9557 1 16 . 1 1 46 46 GLN H H 46 8.109 8.109 8.389 -0.280 25437 9558 1 16 . 1 1 47 47 SER N N 47 116.127 116.127 114.353 1.774 25437 9559 1 16 . 1 1 47 47 SER HA H 47 4.361 4.361 4.292 0.069 25437 9560 1 16 . 1 1 47 47 SER CA C 47 59.082 59.082 60.656 -1.574 25437 9561 1 16 . 1 1 47 47 SER CB C 47 64.009 64.009 63.150 0.859 25437 9562 1 16 . 1 1 47 47 SER H H 47 8.199 8.199 7.758 0.441 25437 9563 1 16 . 1 1 48 48 ALA N N 48 124.628 124.628 122.936 1.692 25437 9564 1 16 . 1 1 48 48 ALA HA H 48 4.253 4.253 4.352 -0.099 25437 9565 1 16 . 1 1 48 48 ALA CA C 48 53.325 53.325 53.687 -0.362 25437 9566 1 16 . 1 1 48 48 ALA CB C 48 18.552 18.552 18.939 -0.387 25437 9567 1 16 . 1 1 48 48 ALA H H 48 8.315 8.315 8.147 0.168 25437 9568 1 16 . 1 1 49 49 GLN N N 49 119.160 119.160 119.169 -0.009 25437 9569 1 16 . 1 1 49 49 GLN HA H 49 4.232 4.232 4.074 0.158 25437 9570 1 16 . 1 1 49 49 GLN CA C 49 56.850 56.850 58.018 -1.168 25437 9571 1 16 . 1 1 49 49 GLN CB C 49 28.992 28.992 28.533 0.459 25437 9572 1 16 . 1 1 49 49 GLN H H 49 8.153 8.153 7.949 0.204 25437 9573 1 16 . 1 1 50 50 ASN N N 50 119.112 119.112 119.426 -0.314 25437 9574 1 16 . 1 1 50 50 ASN HA H 50 4.660 4.660 4.419 0.241 25437 9575 1 16 . 1 1 50 50 ASN CA C 50 53.572 53.572 56.712 -3.140 25437 9576 1 16 . 1 1 50 50 ASN CB C 50 38.376 38.376 38.445 -0.069 25437 9577 1 16 . 1 1 50 50 ASN H H 50 8.205 8.205 8.109 0.096 25437 9578 1 16 . 1 1 51 51 ILE N N 51 120.639 120.639 116.724 3.915 25437 9579 1 16 . 1 1 51 51 ILE HA H 51 4.095 4.095 4.005 0.090 25437 9580 1 16 . 1 1 51 51 ILE CA C 51 61.954 61.954 63.822 -1.868 25437 9581 1 16 . 1 1 51 51 ILE CB C 51 38.414 38.414 37.607 0.807 25437 9582 1 16 . 1 1 51 51 ILE H H 51 7.939 7.939 7.434 0.505 25437 9583 1 16 . 1 1 52 52 ALA N N 52 126.459 126.459 120.585 5.874 25437 9584 1 16 . 1 1 52 52 ALA HA H 52 4.246 4.246 4.097 0.149 25437 9585 1 16 . 1 1 52 52 ALA CA C 52 53.189 53.189 53.764 -0.575 25437 9586 1 16 . 1 1 52 52 ALA CB C 52 18.453 18.453 17.864 0.589 25437 9587 1 16 . 1 1 52 52 ALA H H 52 8.251 8.251 8.018 0.233 25437 9588 1 16 . 1 1 53 53 ASN N N 53 116.801 116.801 116.936 -0.135 25437 9589 1 16 . 1 1 53 53 ASN HA H 53 4.648 4.648 4.442 0.206 25437 9590 1 16 . 1 1 53 53 ASN CA C 53 53.425 53.425 55.760 -2.335 25437 9591 1 16 . 1 1 53 53 ASN CB C 53 38.600 38.600 38.869 -0.269 25437 9592 1 16 . 1 1 53 53 ASN H H 53 8.230 8.230 7.878 0.352 25437 9593 1 16 . 1 1 54 54 GLY N N 54 108.549 108.549 105.067 3.482 25437 9594 1 16 . 1 1 54 54 GLY CA C 54 45.746 45.746 45.312 0.434 25437 9595 1 16 . 1 1 54 54 GLY H H 54 8.191 8.191 8.117 0.074 25437 9596 1 16 . 1 1 55 55 THR N N 55 112.528 112.528 116.925 -4.397 25437 9597 1 16 . 1 1 55 55 THR HA H 55 4.282 4.282 4.722 -0.440 25437 9598 1 16 . 1 1 55 55 THR CA C 55 62.118 62.118 60.700 1.418 25437 9599 1 16 . 1 1 55 55 THR CB C 55 69.796 69.796 69.930 -0.134 25437 9600 1 16 . 1 1 55 55 THR H H 55 8.003 8.003 7.608 0.395 25437 9601 1 16 . 1 1 56 56 SER N N 56 116.986 116.986 123.261 -6.275 25437 9602 1 16 . 1 1 56 56 SER HA H 56 4.362 4.362 4.480 -0.118 25437 9603 1 16 . 1 1 56 56 SER CA C 56 58.454 58.454 59.743 -1.289 25437 9604 1 16 . 1 1 56 56 SER CB C 56 63.762 63.762 63.380 0.382 25437 9605 1 16 . 1 1 56 56 SER H H 56 8.043 8.043 8.887 -0.844 25437 9606 1 16 . 1 1 57 57 PHE N N 57 121.981 121.981 121.925 0.056 25437 9607 1 16 . 1 1 57 57 PHE HA H 57 4.579 4.579 4.339 0.240 25437 9608 1 16 . 1 1 57 57 PHE CA C 57 57.929 57.929 60.653 -2.724 25437 9609 1 16 . 1 1 57 57 PHE CB C 57 39.068 39.068 39.153 -0.085 25437 9610 1 16 . 1 1 57 57 PHE H H 57 8.120 8.120 8.345 -0.225 25437 9611 1 16 . 1 1 58 58 LEU N N 58 121.621 121.621 119.642 1.979 25437 9612 1 16 . 1 1 58 58 LEU HA H 58 4.174 4.174 4.491 -0.317 25437 9613 1 16 . 1 1 58 58 LEU CA C 58 55.350 55.350 54.364 0.986 25437 9614 1 16 . 1 1 58 58 LEU CB C 58 42.340 42.340 40.937 1.403 25437 9615 1 16 . 1 1 58 58 LEU H H 58 7.806 7.806 7.697 0.109 25437 9616 1 16 . 1 1 59 59 LYS N N 59 120.388 120.388 119.896 0.492 25437 9617 1 16 . 1 1 59 59 LYS HA H 59 4.230 4.230 4.128 0.102 25437 9618 1 16 . 1 1 59 59 LYS CA C 59 55.823 55.823 57.085 -1.262 25437 9619 1 16 . 1 1 59 59 LYS CB C 59 32.616 32.616 31.399 1.217 25437 9620 1 16 . 1 1 59 59 LYS H H 59 8.068 8.068 7.475 0.593 25437 9621 1 16 . 1 1 60 60 ASP N N 60 121.094 121.094 122.590 -1.496 25437 9622 1 16 . 1 1 60 60 ASP HA H 60 4.828 4.828 4.846 -0.018 25437 9623 1 16 . 1 1 60 60 ASP CA C 60 53.698 53.698 53.001 0.697 25437 9624 1 16 . 1 1 60 60 ASP CB C 60 41.652 41.652 42.050 -0.397 25437 9625 1 16 . 1 1 60 60 ASP H H 60 7.959 7.959 8.126 -0.167 25437 9626 1 16 . 1 1 61 61 PRO HA H 61 4.388 4.388 4.566 -0.178 25437 9627 1 16 . 1 1 61 61 PRO CA C 61 63.263 63.263 63.029 0.234 25437 9628 1 16 . 1 1 61 61 PRO CB C 61 31.697 31.697 30.193 1.504 25437 9629 1 16 . 1 1 62 62 SER N N 62 115.353 115.353 115.555 -0.202 25437 9630 1 16 . 1 1 62 62 SER HA H 62 4.365 4.365 4.637 -0.272 25437 9631 1 16 . 1 1 62 62 SER CA C 62 59.258 59.258 57.100 2.158 25437 9632 1 16 . 1 1 62 62 SER CB C 62 63.634 63.634 64.419 -0.785 25437 9633 1 16 . 1 1 62 62 SER H H 62 8.420 8.420 8.277 0.143 25437 9634 1 16 . 1 1 63 63 LYS N N 63 122.360 122.360 120.904 1.456 25437 9635 1 16 . 1 1 63 63 LYS HA H 63 4.266 4.266 4.191 0.075 25437 9636 1 16 . 1 1 63 63 LYS CA C 63 56.628 56.628 57.541 -0.913 25437 9637 1 16 . 1 1 63 63 LYS CB C 63 29.327 29.327 32.497 -3.170 25437 9638 1 16 . 1 1 63 63 LYS H H 63 8.405 8.405 8.374 0.031 25437 9639 1 16 . 1 1 65 65 LYS N N 65 125.418 125.418 119.927 5.491 25437 9640 1 16 . 1 1 65 65 LYS HA H 65 4.146 4.146 4.602 -0.456 25437 9641 1 16 . 1 1 65 65 LYS CA C 65 63.350 63.350 55.676 7.674 25437 9642 1 16 . 1 1 65 65 LYS CB C 65 31.891 31.891 32.379 -0.488 25437 9643 1 16 . 1 1 65 65 LYS H H 65 8.369 8.369 8.914 -0.545 25437 9644 1 16 . 1 1 66 66 HIS N N 66 121.236 121.236 119.564 1.672 25437 9645 1 16 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.428 0.117 25437 9646 1 16 . 1 1 66 66 HIS CA C 66 59.256 59.256 59.738 -0.482 25437 9647 1 16 . 1 1 66 66 HIS CB C 66 28.619 28.619 29.668 -1.049 25437 9648 1 16 . 1 1 66 66 HIS H H 66 8.758 8.758 8.502 0.256 25437 9649 1 16 . 1 1 67 67 ILE N N 67 120.137 120.137 118.915 1.222 25437 9650 1 16 . 1 1 67 67 ILE HA H 67 4.372 4.372 4.050 0.322 25437 9651 1 16 . 1 1 67 67 ILE CA C 67 63.961 63.961 63.455 0.506 25437 9652 1 16 . 1 1 67 67 ILE CB C 67 37.935 37.935 36.409 1.526 25437 9653 1 16 . 1 1 67 67 ILE H H 67 7.849 7.849 8.501 -0.652 25437 9654 1 16 . 1 1 68 68 THR N N 68 104.067 104.067 108.947 -4.880 25437 9655 1 16 . 1 1 68 68 THR HA H 68 4.397 4.397 4.434 -0.037 25437 9656 1 16 . 1 1 68 68 THR CA C 68 61.343 61.343 61.503 -0.160 25437 9657 1 16 . 1 1 68 68 THR CB C 68 68.473 68.473 69.102 -0.629 25437 9658 1 16 . 1 1 68 68 THR H H 68 7.168 7.168 7.640 -0.472 25437 9659 1 16 . 1 1 69 69 GLY N N 69 107.308 107.308 110.117 -2.809 25437 9660 1 16 . 1 1 69 69 GLY CA C 69 46.665 46.665 46.327 0.338 25437 9661 1 16 . 1 1 69 69 GLY H H 69 7.169 7.169 7.662 -0.493 25437 9662 1 16 . 1 1 70 70 ASP N N 70 114.629 114.629 119.989 -5.360 25437 9663 1 16 . 1 1 70 70 ASP HA H 70 4.734 4.734 4.692 0.042 25437 9664 1 16 . 1 1 70 70 ASP CA C 70 54.627 54.627 54.339 0.288 25437 9665 1 16 . 1 1 70 70 ASP CB C 70 44.451 44.451 41.387 3.064 25437 9666 1 16 . 1 1 70 70 ASP H H 70 7.644 7.644 7.703 -0.059 25437 9667 1 16 . 1 1 71 71 ALA N N 71 118.917 118.917 117.914 1.003 25437 9668 1 16 . 1 1 71 71 ALA HA H 71 5.062 5.062 4.964 0.098 25437 9669 1 16 . 1 1 71 71 ALA CA C 71 51.498 51.498 51.155 0.343 25437 9670 1 16 . 1 1 71 71 ALA CB C 71 21.994 21.994 21.593 0.401 25437 9671 1 16 . 1 1 71 71 ALA H H 71 7.529 7.529 7.357 0.172 25437 9672 1 16 . 1 1 72 72 ILE N N 72 110.818 110.818 113.448 -2.630 25437 9673 1 16 . 1 1 72 72 ILE HA H 72 5.249 5.249 4.545 0.704 25437 9674 1 16 . 1 1 72 72 ILE CA C 72 58.821 58.821 60.551 -1.730 25437 9675 1 16 . 1 1 72 72 ILE CB C 72 43.709 43.709 42.105 1.605 25437 9676 1 16 . 1 1 72 72 ILE H H 72 8.449 8.449 8.770 -0.321 25437 9677 1 16 . 1 1 73 73 ASP N N 73 117.790 117.790 121.666 -3.876 25437 9678 1 16 . 1 1 73 73 ASP HA H 73 6.094 6.094 5.447 0.647 25437 9679 1 16 . 1 1 73 73 ASP CA C 73 52.090 52.090 53.582 -1.492 25437 9680 1 16 . 1 1 73 73 ASP CB C 73 42.655 42.655 45.214 -2.558 25437 9681 1 16 . 1 1 73 73 ASP H H 73 8.442 8.442 9.043 -0.601 25437 9682 1 16 . 1 1 74 74 PHE N N 74 122.479 122.479 122.546 -0.067 25437 9683 1 16 . 1 1 74 74 PHE HA H 74 6.173 6.173 5.276 0.897 25437 9684 1 16 . 1 1 74 74 PHE CA C 74 54.775 54.775 55.540 -0.765 25437 9685 1 16 . 1 1 74 74 PHE CB C 74 44.115 44.115 42.504 1.611 25437 9686 1 16 . 1 1 74 74 PHE H H 74 9.463 9.463 8.193 1.270 25437 9687 1 16 . 1 1 75 75 ALA N N 75 118.862 118.862 121.666 -2.804 25437 9688 1 16 . 1 1 75 75 ALA HA H 75 4.453 4.453 4.454 -0.001 25437 9689 1 16 . 1 1 75 75 ALA CA C 75 50.134 50.134 48.767 1.367 25437 9690 1 16 . 1 1 75 75 ALA CB C 75 21.020 21.020 21.321 -0.301 25437 9691 1 16 . 1 1 75 75 ALA H H 75 8.575 8.575 8.993 -0.418 25437 9692 1 16 . 1 1 76 76 PRO HA H 76 4.466 4.466 4.810 -0.344 25437 9693 1 16 . 1 1 76 76 PRO CA C 76 62.353 62.353 62.991 -0.638 25437 9694 1 16 . 1 1 76 76 PRO CB C 76 32.135 32.135 31.420 0.715 25437 9695 1 16 . 1 1 77 77 TYR N N 77 126.211 126.211 126.053 0.158 25437 9696 1 16 . 1 1 77 77 TYR HA H 77 4.835 4.835 4.585 0.250 25437 9697 1 16 . 1 1 77 77 TYR CA C 77 56.830 56.830 59.016 -2.186 25437 9698 1 16 . 1 1 77 77 TYR CB C 77 40.384 40.384 40.714 -0.330 25437 9699 1 16 . 1 1 77 77 TYR H H 77 8.357 8.357 8.453 -0.096 25437 9700 1 16 . 1 1 78 78 ILE N N 78 124.613 124.613 124.150 0.463 25437 9701 1 16 . 1 1 78 78 ILE HA H 78 4.210 4.210 4.253 -0.043 25437 9702 1 16 . 1 1 78 78 ILE CA C 78 59.941 59.941 60.597 -0.656 25437 9703 1 16 . 1 1 78 78 ILE CB C 78 40.652 40.652 41.618 -0.966 25437 9704 1 16 . 1 1 78 78 ILE H H 78 8.334 8.334 8.904 -0.570 25437 9705 1 16 . 1 1 79 79 ASN N N 79 126.361 126.361 126.611 -0.250 25437 9706 1 16 . 1 1 79 79 ASN HA H 79 4.339 4.339 4.405 -0.066 25437 9707 1 16 . 1 1 79 79 ASN CA C 79 53.937 53.937 53.479 0.458 25437 9708 1 16 . 1 1 79 79 ASN CB C 79 36.887 36.887 37.777 -0.890 25437 9709 1 16 . 1 1 79 79 ASN H H 79 9.444 9.444 9.164 0.280 25437 9710 1 16 . 1 1 80 80 GLY N N 80 102.068 102.068 102.485 -0.417 25437 9711 1 16 . 1 1 80 80 GLY CA C 80 45.663 45.663 45.820 -0.157 25437 9712 1 16 . 1 1 80 80 GLY H H 80 8.240 8.240 8.825 -0.585 25437 9713 1 16 . 1 1 81 81 LYS N N 81 117.260 117.260 118.142 -0.882 25437 9714 1 16 . 1 1 81 81 LYS HA H 81 4.534 4.534 4.390 0.144 25437 9715 1 16 . 1 1 81 81 LYS CA C 81 54.226 54.226 53.213 1.013 25437 9716 1 16 . 1 1 81 81 LYS CB C 81 35.655 35.655 35.564 0.091 25437 9717 1 16 . 1 1 81 81 LYS H H 81 7.046 7.046 7.459 -0.413 25437 9718 1 16 . 1 1 82 82 ILE N N 82 122.347 122.347 121.054 1.293 25437 9719 1 16 . 1 1 82 82 ILE HA H 82 4.091 4.091 3.403 0.688 25437 9720 1 16 . 1 1 82 82 ILE CA C 82 62.621 62.621 62.305 0.316 25437 9721 1 16 . 1 1 82 82 ILE CB C 82 37.833 37.833 37.922 -0.089 25437 9722 1 16 . 1 1 82 82 ILE H H 82 8.418 8.418 8.273 0.145 25437 9723 1 16 . 1 1 83 83 ASP N N 83 128.498 128.498 126.580 1.918 25437 9724 1 16 . 1 1 83 83 ASP HA H 83 4.808 4.808 4.693 0.115 25437 9725 1 16 . 1 1 83 83 ASP CA C 83 51.619 51.619 52.995 -1.376 25437 9726 1 16 . 1 1 83 83 ASP CB C 83 41.079 41.079 40.634 0.445 25437 9727 1 16 . 1 1 83 83 ASP H H 83 8.028 8.028 8.244 -0.216 25437 9728 1 16 . 1 1 84 84 TRP N N 84 121.807 121.807 124.264 -2.457 25437 9729 1 16 . 1 1 84 84 TRP HA H 84 4.574 4.574 4.489 0.085 25437 9730 1 16 . 1 1 84 84 TRP CA C 84 58.456 58.456 58.440 0.016 25437 9731 1 16 . 1 1 84 84 TRP CB C 84 30.177 30.177 30.723 -0.546 25437 9732 1 16 . 1 1 84 84 TRP H H 84 8.081 8.081 8.167 -0.086 25437 9733 1 16 . 1 1 85 85 ASN N N 85 113.227 113.227 115.936 -2.709 25437 9734 1 16 . 1 1 85 85 ASN HA H 85 4.975 4.975 4.710 0.265 25437 9735 1 16 . 1 1 85 85 ASN CA C 85 53.430 53.430 54.174 -0.744 25437 9736 1 16 . 1 1 85 85 ASN CB C 85 40.162 40.162 39.234 0.928 25437 9737 1 16 . 1 1 85 85 ASN H H 85 8.386 8.386 8.239 0.147 25437 9738 1 16 . 1 1 86 86 ASP N N 86 118.821 118.821 122.647 -3.826 25437 9739 1 16 . 1 1 86 86 ASP HA H 86 4.813 4.813 4.587 0.226 25437 9740 1 16 . 1 1 86 86 ASP CA C 86 52.255 52.255 54.658 -2.403 25437 9741 1 16 . 1 1 86 86 ASP CB C 86 37.613 37.613 40.093 -2.480 25437 9742 1 16 . 1 1 86 86 ASP H H 86 7.405 7.405 8.020 -0.615 25437 9743 1 16 . 1 1 87 87 LEU N N 87 127.177 127.177 124.271 2.906 25437 9744 1 16 . 1 1 87 87 LEU HA H 87 4.055 4.055 3.907 0.148 25437 9745 1 16 . 1 1 87 87 LEU CA C 87 58.321 58.321 57.147 1.174 25437 9746 1 16 . 1 1 87 87 LEU CB C 87 40.887 40.887 41.975 -1.088 25437 9747 1 16 . 1 1 87 87 LEU H H 87 8.274 8.274 7.826 0.448 25437 9748 1 16 . 1 1 88 88 GLU N N 88 114.132 114.132 118.496 -4.364 25437 9749 1 16 . 1 1 88 88 GLU HA H 88 3.938 3.938 2.782 1.156 25437 9750 1 16 . 1 1 88 88 GLU CA C 88 59.437 59.437 58.689 0.748 25437 9751 1 16 . 1 1 88 88 GLU CB C 88 27.987 27.987 28.936 -0.949 25437 9752 1 16 . 1 1 88 88 GLU H H 88 8.257 8.257 8.305 -0.048 25437 9753 1 16 . 1 1 89 89 ALA N N 89 122.075 122.075 119.218 2.857 25437 9754 1 16 . 1 1 89 89 ALA HA H 89 3.799 3.799 4.251 -0.452 25437 9755 1 16 . 1 1 89 89 ALA CA C 89 54.703 54.703 53.673 1.030 25437 9756 1 16 . 1 1 89 89 ALA CB C 89 17.635 17.635 18.668 -1.033 25437 9757 1 16 . 1 1 89 89 ALA H H 89 7.418 7.418 7.261 0.158 25437 9758 1 16 . 1 1 90 90 PHE N N 90 116.551 116.551 121.249 -4.698 25437 9759 1 16 . 1 1 90 90 PHE HA H 90 4.025 4.025 4.079 -0.054 25437 9760 1 16 . 1 1 90 90 PHE CA C 90 64.150 64.150 60.697 3.453 25437 9761 1 16 . 1 1 90 90 PHE CB C 90 38.965 38.965 38.446 0.519 25437 9762 1 16 . 1 1 90 90 PHE H H 90 7.777 7.777 7.108 0.669 25437 9763 1 16 . 1 1 91 91 TRP N N 91 119.390 119.390 117.520 1.870 25437 9764 1 16 . 1 1 91 91 TRP HA H 91 4.578 4.578 4.030 0.548 25437 9765 1 16 . 1 1 91 91 TRP CA C 91 59.217 59.217 58.076 1.141 25437 9766 1 16 . 1 1 91 91 TRP CB C 91 29.802 29.802 27.288 2.514 25437 9767 1 16 . 1 1 91 91 TRP H H 91 7.821 7.821 7.499 0.322 25437 9768 1 16 . 1 1 92 92 ALA N N 92 121.275 121.275 123.601 -2.326 25437 9769 1 16 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.357 -0.233 25437 9770 1 16 . 1 1 92 92 ALA CA C 92 55.229 55.229 54.677 0.552 25437 9771 1 16 . 1 1 92 92 ALA CB C 92 18.870 18.870 18.350 0.520 25437 9772 1 16 . 1 1 92 92 ALA H H 92 8.242 8.242 6.940 1.302 25437 9773 1 16 . 1 1 93 93 VAL N N 93 120.454 120.454 118.804 1.650 25437 9774 1 16 . 1 1 93 93 VAL HA H 93 3.600 3.600 3.834 -0.234 25437 9775 1 16 . 1 1 93 93 VAL CA C 93 66.424 66.424 66.092 0.332 25437 9776 1 16 . 1 1 93 93 VAL CB C 93 30.676 30.676 31.734 -1.058 25437 9777 1 16 . 1 1 93 93 VAL H H 93 8.259 8.259 7.908 0.351 25437 9778 1 16 . 1 1 94 94 LYS N N 94 122.098 122.098 120.365 1.733 25437 9779 1 16 . 1 1 94 94 LYS HA H 94 3.690 3.690 3.833 -0.143 25437 9780 1 16 . 1 1 94 94 LYS CA C 94 60.959 60.959 59.901 1.058 25437 9781 1 16 . 1 1 94 94 LYS CB C 94 31.484 31.484 31.707 -0.223 25437 9782 1 16 . 1 1 94 94 LYS H H 94 8.382 8.382 7.885 0.497 25437 9783 1 16 . 1 1 95 95 LYS N N 95 118.030 118.030 118.749 -0.719 25437 9784 1 16 . 1 1 95 95 LYS HA H 95 3.958 3.958 4.172 -0.214 25437 9785 1 16 . 1 1 95 95 LYS CA C 95 59.212 59.212 58.935 0.277 25437 9786 1 16 . 1 1 95 95 LYS CB C 95 31.219 31.219 32.265 -1.046 25437 9787 1 16 . 1 1 95 95 LYS H H 95 7.957 7.957 7.572 0.385 25437 9788 1 16 . 1 1 96 96 ALA N N 96 124.359 124.359 120.902 3.457 25437 9789 1 16 . 1 1 96 96 ALA HA H 96 4.229 4.229 4.240 -0.011 25437 9790 1 16 . 1 1 96 96 ALA CA C 96 55.422 55.422 54.835 0.587 25437 9791 1 16 . 1 1 96 96 ALA CB C 96 17.148 17.148 18.270 -1.122 25437 9792 1 16 . 1 1 96 96 ALA H H 96 7.668 7.668 8.396 -0.728 25437 9793 1 16 . 1 1 97 97 PHE N N 97 117.446 117.446 119.119 -1.673 25437 9794 1 16 . 1 1 97 97 PHE HA H 97 3.883 3.883 4.181 -0.298 25437 9795 1 16 . 1 1 97 97 PHE CA C 97 63.187 63.187 61.973 1.214 25437 9796 1 16 . 1 1 97 97 PHE CB C 97 40.401 40.401 39.221 1.180 25437 9797 1 16 . 1 1 97 97 PHE H H 97 8.369 8.369 8.230 0.139 25437 9798 1 16 . 1 1 98 98 GLU N N 98 119.148 119.148 118.581 0.567 25437 9799 1 16 . 1 1 98 98 GLU HA H 98 4.140 4.140 3.935 0.205 25437 9800 1 16 . 1 1 98 98 GLU CA C 98 59.610 59.610 58.743 0.867 25437 9801 1 16 . 1 1 98 98 GLU CB C 98 29.444 29.444 29.119 0.325 25437 9802 1 16 . 1 1 98 98 GLU H H 98 8.821 8.821 8.067 0.754 25437 9803 1 16 . 1 1 99 99 GLN N N 99 120.727 120.727 118.441 2.286 25437 9804 1 16 . 1 1 99 99 GLN HA H 99 4.061 4.061 4.175 -0.114 25437 9805 1 16 . 1 1 99 99 GLN CA C 99 59.130 59.130 58.047 1.083 25437 9806 1 16 . 1 1 99 99 GLN CB C 99 27.524 27.524 28.647 -1.123 25437 9807 1 16 . 1 1 99 99 GLN H H 99 8.436 8.436 7.776 0.660 25437 9808 1 16 . 1 1 100 100 ALA N N 100 122.603 122.603 122.633 -0.030 25437 9809 1 16 . 1 1 100 100 ALA HA H 100 3.886 3.886 4.084 -0.198 25437 9810 1 16 . 1 1 100 100 ALA CA C 100 55.399 55.399 55.055 0.344 25437 9811 1 16 . 1 1 100 100 ALA CB C 100 19.472 19.472 18.176 1.296 25437 9812 1 16 . 1 1 100 100 ALA H H 100 8.433 8.433 8.385 0.048 25437 9813 1 16 . 1 1 101 101 GLY N N 101 104.253 104.253 105.369 -1.116 25437 9814 1 16 . 1 1 101 101 GLY CA C 101 47.843 47.843 46.673 1.170 25437 9815 1 16 . 1 1 101 101 GLY H H 101 9.035 9.035 7.947 1.088 25437 9816 1 16 . 1 1 102 102 LYS N N 102 121.912 121.912 121.786 0.126 25437 9817 1 16 . 1 1 102 102 LYS HA H 102 4.116 4.116 3.988 0.128 25437 9818 1 16 . 1 1 102 102 LYS CA C 102 59.314 59.314 59.544 -0.230 25437 9819 1 16 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.478 -0.299 25437 9820 1 16 . 1 1 102 102 LYS H H 102 7.928 7.928 7.447 0.481 25437 9821 1 16 . 1 1 103 103 GLU N N 103 119.382 119.382 118.441 0.941 25437 9822 1 16 . 1 1 103 103 GLU HA H 103 3.989 3.989 4.157 -0.168 25437 9823 1 16 . 1 1 103 103 GLU CA C 103 59.093 59.093 58.175 0.918 25437 9824 1 16 . 1 1 103 103 GLU CB C 103 30.127 30.127 29.557 0.570 25437 9825 1 16 . 1 1 103 103 GLU H H 103 8.406 8.406 7.660 0.746 25437 9826 1 16 . 1 1 104 104 LEU N N 104 115.551 115.551 118.672 -3.121 25437 9827 1 16 . 1 1 104 104 LEU HA H 104 4.360 4.360 4.075 0.285 25437 9828 1 16 . 1 1 104 104 LEU CA C 104 55.185 55.185 55.853 -0.668 25437 9829 1 16 . 1 1 104 104 LEU CB C 104 43.105 43.105 42.240 0.865 25437 9830 1 16 . 1 1 104 104 LEU H H 104 7.999 7.999 8.258 -0.259 25437 9831 1 16 . 1 1 105 105 GLY N N 105 110.561 110.561 104.833 5.728 25437 9832 1 16 . 1 1 105 105 GLY CA C 105 46.480 46.480 45.007 1.473 25437 9833 1 16 . 1 1 105 105 GLY H H 105 7.898 7.898 7.664 0.234 25437 9834 1 16 . 1 1 106 106 ILE N N 106 121.745 121.745 121.354 0.391 25437 9835 1 16 . 1 1 106 106 ILE HA H 106 4.227 4.227 3.959 0.268 25437 9836 1 16 . 1 1 106 106 ILE CA C 106 59.717 59.717 61.600 -1.883 25437 9837 1 16 . 1 1 106 106 ILE CB C 106 41.096 41.096 38.678 2.418 25437 9838 1 16 . 1 1 106 106 ILE H H 106 8.428 8.428 7.690 0.738 25437 9839 1 16 . 1 1 107 107 LYS N N 107 127.736 127.736 127.785 -0.049 25437 9840 1 16 . 1 1 107 107 LYS HA H 107 4.275 4.275 4.137 0.138 25437 9841 1 16 . 1 1 107 107 LYS CA C 107 57.224 57.224 57.316 -0.092 25437 9842 1 16 . 1 1 107 107 LYS CB C 107 32.752 32.752 32.213 0.539 25437 9843 1 16 . 1 1 107 107 LYS H H 107 8.489 8.489 8.449 0.040 25437 9844 1 16 . 1 1 108 108 LEU N N 108 122.881 122.881 124.996 -2.115 25437 9845 1 16 . 1 1 108 108 LEU HA H 108 5.235 5.235 4.392 0.843 25437 9846 1 16 . 1 1 108 108 LEU CA C 108 53.287 53.287 55.065 -1.778 25437 9847 1 16 . 1 1 108 108 LEU CB C 108 47.016 47.016 43.979 3.037 25437 9848 1 16 . 1 1 108 108 LEU H H 108 8.049 8.049 8.251 -0.202 25437 9849 1 16 . 1 1 109 109 ARG N N 109 120.726 120.726 124.835 -4.109 25437 9850 1 16 . 1 1 109 109 ARG HA H 109 4.438 4.438 4.146 0.292 25437 9851 1 16 . 1 1 109 109 ARG CA C 109 55.193 55.193 55.942 -0.749 25437 9852 1 16 . 1 1 109 109 ARG CB C 109 33.519 33.519 34.490 -0.971 25437 9853 1 16 . 1 1 109 109 ARG H H 109 8.736 8.736 8.072 0.664 25437 9854 1 16 . 1 1 110 110 PHE N N 110 121.516 121.516 118.717 2.799 25437 9855 1 16 . 1 1 110 110 PHE HA H 110 5.303 5.303 4.724 0.579 25437 9856 1 16 . 1 1 110 110 PHE CA C 110 56.644 56.644 56.318 0.326 25437 9857 1 16 . 1 1 110 110 PHE CB C 110 40.602 40.602 39.361 1.241 25437 9858 1 16 . 1 1 110 110 PHE H H 110 8.707 8.707 8.090 0.617 25437 9859 1 16 . 1 1 111 111 GLY N N 111 108.992 108.992 109.089 -0.097 25437 9860 1 16 . 1 1 111 111 GLY CA C 111 45.604 45.604 44.749 0.855 25437 9861 1 16 . 1 1 111 111 GLY H H 111 7.819 7.819 8.573 -0.754 25437 9862 1 16 . 1 1 112 112 ALA N N 112 111.448 111.448 126.715 -15.267 25437 9863 1 16 . 1 1 112 112 ALA HA H 112 3.858 3.858 4.436 -0.578 25437 9864 1 16 . 1 1 112 112 ALA CA C 112 52.083 52.083 53.193 -1.110 25437 9865 1 16 . 1 1 112 112 ALA CB C 112 18.655 18.655 19.559 -0.904 25437 9866 1 16 . 1 1 112 112 ALA H H 112 7.945 7.945 8.179 -0.234 25437 9867 1 16 . 1 1 113 113 ASP N N 113 106.770 106.770 117.788 -11.018 25437 9868 1 16 . 1 1 113 113 ASP HA H 113 5.157 5.157 4.630 0.527 25437 9869 1 16 . 1 1 113 113 ASP CA C 113 52.285 52.285 54.708 -2.423 25437 9870 1 16 . 1 1 113 113 ASP CB C 113 41.465 41.465 40.861 0.604 25437 9871 1 16 . 1 1 113 113 ASP H H 113 7.000 7.000 8.615 -1.615 25437 9872 1 16 . 1 1 114 114 TRP N N 114 119.829 119.829 121.617 -1.788 25437 9873 1 16 . 1 1 114 114 TRP HA H 114 4.184 4.184 4.188 -0.004 25437 9874 1 16 . 1 1 114 114 TRP CA C 114 61.455 61.455 61.185 0.270 25437 9875 1 16 . 1 1 114 114 TRP CB C 114 26.427 26.427 28.729 -2.302 25437 9876 1 16 . 1 1 114 114 TRP H H 114 7.589 7.589 8.561 -0.972 25437 9877 1 16 . 1 1 115 115 ASN N N 115 117.900 117.900 116.070 1.830 25437 9878 1 16 . 1 1 115 115 ASN HA H 115 4.548 4.548 4.643 -0.095 25437 9879 1 16 . 1 1 115 115 ASN CA C 115 55.955 55.955 55.413 0.543 25437 9880 1 16 . 1 1 115 115 ASN CB C 115 36.818 36.818 37.221 -0.403 25437 9881 1 16 . 1 1 115 115 ASN H H 115 9.503 9.503 8.595 0.908 25437 9882 1 16 . 1 1 116 116 ALA N N 116 123.758 123.758 120.405 3.353 25437 9883 1 16 . 1 1 116 116 ALA HA H 116 4.181 4.181 4.127 0.054 25437 9884 1 16 . 1 1 116 116 ALA CA C 116 53.111 53.111 53.323 -0.212 25437 9885 1 16 . 1 1 116 116 ALA CB C 116 16.596 16.596 18.543 -1.947 25437 9886 1 16 . 1 1 116 116 ALA H H 116 8.079 8.079 7.787 0.292 25437 9887 1 16 . 1 1 117 117 SER N N 117 116.009 116.009 113.354 2.655 25437 9888 1 16 . 1 1 117 117 SER HA H 117 4.417 4.417 4.022 0.395 25437 9889 1 16 . 1 1 117 117 SER CA C 117 59.433 59.433 60.821 -1.388 25437 9890 1 16 . 1 1 117 117 SER CB C 117 65.026 65.026 63.233 1.792 25437 9891 1 16 . 1 1 117 117 SER H H 117 9.460 9.460 7.903 1.557 25437 9892 1 16 . 1 1 118 118 GLY N N 118 115.031 115.031 107.995 7.036 25437 9893 1 16 . 1 1 118 118 GLY CA C 118 45.197 45.197 44.939 0.258 25437 9894 1 16 . 1 1 118 118 GLY H H 118 10.733 10.733 7.527 3.206 25437 9895 1 16 . 1 1 119 119 ASP N N 119 116.435 116.435 121.509 -5.074 25437 9896 1 16 . 1 1 119 119 ASP HA H 119 4.590 4.590 4.709 -0.119 25437 9897 1 16 . 1 1 119 119 ASP CA C 119 53.181 53.181 54.069 -0.888 25437 9898 1 16 . 1 1 119 119 ASP CB C 119 43.864 43.864 42.569 1.296 25437 9899 1 16 . 1 1 119 119 ASP H H 119 7.770 7.770 8.191 -0.421 25437 9900 1 16 . 1 1 120 120 TYR N N 120 120.253 120.253 121.292 -1.039 25437 9901 1 16 . 1 1 120 120 TYR HA H 120 6.088 6.088 4.566 1.522 25437 9902 1 16 . 1 1 120 120 TYR CA C 120 56.003 56.003 59.125 -3.122 25437 9903 1 16 . 1 1 120 120 TYR CB C 120 40.371 40.371 37.516 2.855 25437 9904 1 16 . 1 1 120 120 TYR H H 120 6.801 6.801 8.875 -2.074 25437 9905 1 16 . 1 1 121 121 HIS HA H 121 4.537 4.537 4.571 -0.034 25437 9906 1 16 . 1 1 121 121 HIS CA C 121 59.002 59.002 58.359 0.643 25437 9907 1 16 . 1 1 121 121 HIS CB C 121 27.950 27.950 30.942 -2.992 25437 9908 1 16 . 1 1 122 122 ASP N N 122 111.622 111.622 119.017 -7.395 25437 9909 1 16 . 1 1 122 122 ASP HA H 122 4.815 4.815 4.706 0.109 25437 9910 1 16 . 1 1 122 122 ASP CA C 122 51.612 51.612 55.372 -3.760 25437 9911 1 16 . 1 1 122 122 ASP CB C 122 36.980 36.980 41.574 -4.593 25437 9912 1 16 . 1 1 122 122 ASP H H 122 8.154 8.154 8.685 -0.531 25437 9913 1 16 . 1 1 124 124 ILE N N 124 119.763 119.763 120.075 -0.312 25437 9914 1 16 . 1 1 124 124 ILE HA H 124 3.843 3.843 3.986 -0.143 25437 9915 1 16 . 1 1 124 124 ILE CA C 124 64.714 64.714 64.118 0.596 25437 9916 1 16 . 1 1 124 124 ILE CB C 124 36.859 36.859 38.379 -1.520 25437 9917 1 16 . 1 1 124 124 ILE H H 124 7.639 7.639 8.563 -0.924 25437 9918 1 16 . 1 1 125 125 LYS N N 125 121.010 121.010 118.667 2.343 25437 9919 1 16 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.170 -0.061 25437 9920 1 16 . 1 1 125 125 LYS CA C 125 59.241 59.241 58.156 1.085 25437 9921 1 16 . 1 1 125 125 LYS CB C 125 31.985 31.985 31.661 0.324 25437 9922 1 16 . 1 1 125 125 LYS H H 125 7.739 7.739 8.304 -0.565 25437 9923 1 16 . 1 1 126 126 ARG N N 126 115.276 115.276 118.541 -3.265 25437 9924 1 16 . 1 1 126 126 ARG HA H 126 4.338 4.338 4.272 0.066 25437 9925 1 16 . 1 1 126 126 ARG CA C 126 57.189 57.189 55.707 1.482 25437 9926 1 16 . 1 1 126 126 ARG CB C 126 31.015 31.015 30.480 0.535 25437 9927 1 16 . 1 1 126 126 ARG H H 126 7.904 7.904 7.680 0.224 25437 9928 1 16 . 1 1 127 127 GLY N N 127 107.767 107.767 109.218 -1.451 25437 9929 1 16 . 1 1 127 127 GLY CA C 127 45.822 45.822 45.813 0.009 25437 9930 1 16 . 1 1 127 127 GLY H H 127 7.912 7.912 8.172 -0.260 25437 9931 1 16 . 1 1 128 128 THR N N 128 107.570 107.570 111.100 -3.530 25437 9932 1 16 . 1 1 128 128 THR HA H 128 4.252 4.252 4.364 -0.112 25437 9933 1 16 . 1 1 128 128 THR CA C 128 60.620 60.620 60.058 0.562 25437 9934 1 16 . 1 1 128 128 THR CB C 128 69.224 69.224 70.757 -1.533 25437 9935 1 16 . 1 1 128 128 THR H H 128 8.121 8.121 7.286 0.835 25437 9936 1 16 . 1 1 129 129 TYR N N 129 123.143 123.143 119.109 4.034 25437 9937 1 16 . 1 1 129 129 TYR HA H 129 4.173 4.173 4.637 -0.464 25437 9938 1 16 . 1 1 129 129 TYR CA C 129 61.448 61.448 56.926 4.522 25437 9939 1 16 . 1 1 129 129 TYR CB C 129 38.796 38.796 38.400 0.396 25437 9940 1 16 . 1 1 129 129 TYR H H 129 7.209 7.209 8.451 -1.242 25437 9941 1 16 . 1 1 130 130 ASP N N 130 117.930 117.930 123.537 -5.607 25437 9942 1 16 . 1 1 130 130 ASP HA H 130 4.641 4.641 4.463 0.178 25437 9943 1 16 . 1 1 130 130 ASP CA C 130 53.440 53.440 56.270 -2.830 25437 9944 1 16 . 1 1 130 130 ASP CB C 130 43.221 43.221 41.162 2.059 25437 9945 1 16 . 1 1 130 130 ASP H H 130 8.216 8.216 7.526 0.690 25437 9946 1 16 . 1 1 132 132 GLY N N 132 107.481 107.481 109.813 -2.332 25437 9947 1 16 . 1 1 132 132 GLY CA C 132 44.013 44.013 44.830 -0.816 25437 9948 1 16 . 1 1 132 132 GLY H H 132 8.304 8.304 7.588 0.716 25437 9949 1 16 . 1 1 133 133 HIS N N 133 117.609 117.609 122.351 -4.742 25437 9950 1 16 . 1 1 133 133 HIS HA H 133 5.430 5.430 4.473 0.957 25437 9951 1 16 . 1 1 133 133 HIS CA C 133 57.155 57.155 57.020 0.134 25437 9952 1 16 . 1 1 133 133 HIS CB C 133 31.667 31.667 29.483 2.184 25437 9953 1 16 . 1 1 133 133 HIS H H 133 6.942 6.942 7.374 -0.432 25437 9954 1 16 . 1 1 134 134 VAL N N 134 133.201 133.201 122.449 10.752 25437 9955 1 16 . 1 1 134 134 VAL HA H 134 4.254 4.254 4.619 -0.365 25437 9956 1 16 . 1 1 134 134 VAL CA C 134 61.676 61.676 61.065 0.611 25437 9957 1 16 . 1 1 134 134 VAL CB C 134 34.775 34.775 33.590 1.185 25437 9958 1 16 . 1 1 134 134 VAL H H 134 9.127 9.127 8.161 0.966 25437 9959 1 16 . 1 1 135 135 GLU N N 135 119.904 119.904 124.323 -4.419 25437 9960 1 16 . 1 1 135 135 GLU HA H 135 5.458 5.458 4.851 0.607 25437 9961 1 16 . 1 1 135 135 GLU CA C 135 52.126 52.126 53.569 -1.443 25437 9962 1 16 . 1 1 135 135 GLU CB C 135 34.550 34.550 33.249 1.301 25437 9963 1 16 . 1 1 135 135 GLU H H 135 8.501 8.501 8.269 0.232 25437 9964 1 16 . 1 1 136 136 LEU N N 136 119.357 119.357 122.028 -2.671 25437 9965 1 16 . 1 1 136 136 LEU HA H 136 4.432 4.432 4.362 0.070 25437 9966 1 16 . 1 1 136 136 LEU CA C 136 54.772 54.772 56.229 -1.457 25437 9967 1 16 . 1 1 136 136 LEU CB C 136 42.524 42.524 42.487 0.037 25437 9968 1 16 . 1 1 136 136 LEU H H 136 8.280 8.280 8.335 -0.055 25437 9969 1 17 . 1 1 3 3 PHE N N 3 121.785 121.785 126.188 -4.403 25437 9970 1 17 . 1 1 3 3 PHE HA H 3 4.792 4.792 4.046 0.746 25437 9971 1 17 . 1 1 3 3 PHE CA C 3 56.407 56.407 59.479 -3.072 25437 9972 1 17 . 1 1 3 3 PHE CB C 3 40.111 40.111 39.396 0.715 25437 9973 1 17 . 1 1 3 3 PHE H H 3 8.534 8.534 7.883 0.651 25437 9974 1 17 . 1 1 4 4 LYS N N 4 119.409 119.409 123.241 -3.832 25437 9975 1 17 . 1 1 4 4 LYS HA H 4 4.452 4.452 4.034 0.418 25437 9976 1 17 . 1 1 4 4 LYS CA C 4 54.774 54.774 54.088 0.686 25437 9977 1 17 . 1 1 4 4 LYS CB C 4 35.710 35.710 35.513 0.197 25437 9978 1 17 . 1 1 4 4 LYS H H 4 8.367 8.367 7.039 1.328 25437 9979 1 17 . 1 1 5 5 PHE N N 5 124.495 124.495 121.624 2.871 25437 9980 1 17 . 1 1 5 5 PHE HA H 5 4.873 4.873 4.423 0.450 25437 9981 1 17 . 1 1 5 5 PHE CA C 5 58.636 58.636 57.118 1.518 25437 9982 1 17 . 1 1 5 5 PHE CB C 5 39.217 39.217 37.828 1.389 25437 9983 1 17 . 1 1 5 5 PHE H H 5 8.603 8.603 7.846 0.757 25437 9984 1 17 . 1 1 6 6 GLY N N 6 108.622 108.622 110.526 -1.904 25437 9985 1 17 . 1 1 6 6 GLY CA C 6 43.819 43.819 44.412 -0.593 25437 9986 1 17 . 1 1 6 6 GLY H H 6 8.559 8.559 8.094 0.465 25437 9987 1 17 . 1 1 7 7 LYS N N 7 119.341 119.341 119.904 -0.563 25437 9988 1 17 . 1 1 7 7 LYS HA H 7 3.958 3.958 4.018 -0.060 25437 9989 1 17 . 1 1 7 7 LYS CA C 7 60.087 60.087 59.634 0.453 25437 9990 1 17 . 1 1 7 7 LYS CB C 7 32.399 32.399 32.514 -0.115 25437 9991 1 17 . 1 1 7 7 LYS H H 7 8.692 8.692 8.595 0.097 25437 9992 1 17 . 1 1 8 8 ASN N N 8 118.555 118.555 117.266 1.289 25437 9993 1 17 . 1 1 8 8 ASN HA H 8 4.551 4.551 4.596 -0.045 25437 9994 1 17 . 1 1 8 8 ASN CA C 8 56.776 56.776 55.806 0.970 25437 9995 1 17 . 1 1 8 8 ASN CB C 8 36.961 36.961 37.907 -0.946 25437 9996 1 17 . 1 1 8 8 ASN H H 8 9.185 9.185 8.446 0.739 25437 9997 1 17 . 1 1 9 9 SER N N 9 118.632 118.632 117.062 1.570 25437 9998 1 17 . 1 1 9 9 SER HA H 9 4.283 4.283 4.118 0.165 25437 9999 1 17 . 1 1 9 9 SER CA C 9 62.790 62.790 62.291 0.499 25437 10000 1 17 . 1 1 9 9 SER CB C 9 62.790 62.790 62.914 -0.124 25437 10001 1 17 . 1 1 9 9 SER H H 9 8.076 8.076 8.234 -0.158 25437 10002 1 17 . 1 1 10 10 GLU N N 10 120.882 120.882 119.970 0.912 25437 10003 1 17 . 1 1 10 10 GLU HA H 10 3.977 3.977 4.038 -0.061 25437 10004 1 17 . 1 1 10 10 GLU CA C 10 59.409 59.409 59.238 0.171 25437 10005 1 17 . 1 1 10 10 GLU CB C 10 28.556 28.556 29.191 -0.635 25437 10006 1 17 . 1 1 10 10 GLU H H 10 8.351 8.351 8.747 -0.396 25437 10007 1 17 . 1 1 11 11 LYS N N 11 120.030 120.030 119.723 0.307 25437 10008 1 17 . 1 1 11 11 LYS HA H 11 4.056 4.056 4.107 -0.051 25437 10009 1 17 . 1 1 11 11 LYS CA C 11 59.477 59.477 58.719 0.758 25437 10010 1 17 . 1 1 11 11 LYS CB C 11 32.032 32.032 32.394 -0.362 25437 10011 1 17 . 1 1 11 11 LYS H H 11 7.937 7.937 7.433 0.504 25437 10012 1 17 . 1 1 12 12 GLN N N 12 114.749 114.749 118.960 -4.211 25437 10013 1 17 . 1 1 12 12 GLN HA H 12 4.147 4.147 4.105 0.042 25437 10014 1 17 . 1 1 12 12 GLN CA C 12 57.373 57.373 58.717 -1.344 25437 10015 1 17 . 1 1 12 12 GLN CB C 12 28.511 28.511 28.553 -0.042 25437 10016 1 17 . 1 1 12 12 GLN H H 12 7.562 7.562 8.057 -0.495 25437 10017 1 17 . 1 1 13 13 LEU N N 13 121.751 121.751 118.518 3.233 25437 10018 1 17 . 1 1 13 13 LEU HA H 13 3.880 3.880 4.260 -0.380 25437 10019 1 17 . 1 1 13 13 LEU CA C 13 57.080 57.080 56.293 0.787 25437 10020 1 17 . 1 1 13 13 LEU CB C 13 42.413 42.413 40.430 1.983 25437 10021 1 17 . 1 1 13 13 LEU H H 13 8.725 8.725 8.210 0.515 25437 10022 1 17 . 1 1 14 14 ALA N N 14 116.323 116.323 119.658 -3.335 25437 10023 1 17 . 1 1 14 14 ALA HA H 14 4.070 4.070 4.310 -0.240 25437 10024 1 17 . 1 1 14 14 ALA CA C 14 53.706 53.706 53.823 -0.117 25437 10025 1 17 . 1 1 14 14 ALA CB C 14 18.020 18.020 18.940 -0.920 25437 10026 1 17 . 1 1 14 14 ALA H H 14 7.574 7.574 7.472 0.102 25437 10027 1 17 . 1 1 15 15 THR N N 15 104.034 104.034 109.452 -5.418 25437 10028 1 17 . 1 1 15 15 THR HA H 15 4.431 4.431 4.407 0.024 25437 10029 1 17 . 1 1 15 15 THR CA C 15 62.381 62.381 61.109 1.272 25437 10030 1 17 . 1 1 15 15 THR CB C 15 70.327 70.327 69.772 0.555 25437 10031 1 17 . 1 1 15 15 THR H H 15 7.326 7.326 7.229 0.097 25437 10032 1 17 . 1 1 16 16 VAL N N 16 112.438 112.438 122.112 -9.674 25437 10033 1 17 . 1 1 16 16 VAL HA H 16 4.922 4.922 3.880 1.042 25437 10034 1 17 . 1 1 16 16 VAL CA C 16 59.661 59.661 63.878 -4.217 25437 10035 1 17 . 1 1 16 16 VAL CB C 16 32.989 32.989 33.035 -0.046 25437 10036 1 17 . 1 1 16 16 VAL H H 16 7.164 7.164 7.292 -0.128 25437 10037 1 17 . 1 1 17 17 LYS N N 17 120.729 120.729 128.525 -7.796 25437 10038 1 17 . 1 1 17 17 LYS HA H 17 4.230 4.230 4.349 -0.119 25437 10039 1 17 . 1 1 17 17 LYS CA C 17 55.486 55.486 57.976 -2.490 25437 10040 1 17 . 1 1 17 17 LYS CB C 17 32.079 32.079 30.817 1.262 25437 10041 1 17 . 1 1 17 17 LYS H H 17 8.907 8.907 8.706 0.201 25437 10042 1 17 . 1 1 18 18 PRO HA H 18 4.130 4.130 4.476 -0.346 25437 10043 1 17 . 1 1 18 18 PRO CA C 18 65.813 65.813 62.995 2.818 25437 10044 1 17 . 1 1 18 18 PRO CB C 18 31.864 31.864 32.048 -0.184 25437 10045 1 17 . 1 1 19 19 GLU N N 19 117.608 117.608 117.230 0.378 25437 10046 1 17 . 1 1 19 19 GLU HA H 19 4.011 4.011 4.496 -0.485 25437 10047 1 17 . 1 1 19 19 GLU CA C 19 61.031 61.031 56.415 4.616 25437 10048 1 17 . 1 1 19 19 GLU CB C 19 29.117 29.117 29.246 -0.129 25437 10049 1 17 . 1 1 19 19 GLU H H 19 9.714 9.714 8.706 1.008 25437 10050 1 17 . 1 1 20 20 LEU N N 20 117.938 117.938 118.645 -0.707 25437 10051 1 17 . 1 1 20 20 LEU HA H 20 4.258 4.258 4.005 0.253 25437 10052 1 17 . 1 1 20 20 LEU CA C 20 56.261 56.261 57.863 -1.602 25437 10053 1 17 . 1 1 20 20 LEU CB C 20 41.894 41.894 40.830 1.064 25437 10054 1 17 . 1 1 20 20 LEU H H 20 7.188 7.188 7.838 -0.650 25437 10055 1 17 . 1 1 21 21 GLN N N 21 118.367 118.367 117.989 0.378 25437 10056 1 17 . 1 1 21 21 GLN HA H 21 3.831 3.831 3.948 -0.117 25437 10057 1 17 . 1 1 21 21 GLN CA C 21 60.100 60.100 58.547 1.553 25437 10058 1 17 . 1 1 21 21 GLN CB C 21 27.745 27.745 27.700 0.045 25437 10059 1 17 . 1 1 21 21 GLN H H 21 7.805 7.805 8.570 -0.765 25437 10060 1 17 . 1 1 22 22 LYS N N 22 116.715 116.715 120.167 -3.452 25437 10061 1 17 . 1 1 22 22 LYS HA H 22 3.962 3.962 3.957 0.005 25437 10062 1 17 . 1 1 22 22 LYS CA C 22 59.816 59.816 59.439 0.377 25437 10063 1 17 . 1 1 22 22 LYS CB C 22 32.520 32.520 32.019 0.501 25437 10064 1 17 . 1 1 22 22 LYS H H 22 8.143 8.143 7.797 0.346 25437 10065 1 17 . 1 1 23 23 VAL N N 23 118.397 118.397 119.366 -0.969 25437 10066 1 17 . 1 1 23 23 VAL HA H 23 3.591 3.591 3.515 0.076 25437 10067 1 17 . 1 1 23 23 VAL CA C 23 66.313 66.313 66.304 0.009 25437 10068 1 17 . 1 1 23 23 VAL CB C 23 31.529 31.529 31.268 0.261 25437 10069 1 17 . 1 1 23 23 VAL H H 23 7.715 7.715 7.488 0.227 25437 10070 1 17 . 1 1 24 24 ALA N N 24 121.929 121.929 121.720 0.209 25437 10071 1 17 . 1 1 24 24 ALA HA H 24 4.024 4.024 3.329 0.695 25437 10072 1 17 . 1 1 24 24 ALA CA C 24 55.444 55.444 55.211 0.233 25437 10073 1 17 . 1 1 24 24 ALA CB C 24 18.086 18.086 18.326 -0.240 25437 10074 1 17 . 1 1 24 24 ALA H H 24 8.307 8.307 7.356 0.951 25437 10075 1 17 . 1 1 25 25 ARG N N 25 114.491 114.491 118.674 -4.183 25437 10076 1 17 . 1 1 25 25 ARG HA H 25 4.114 4.114 4.372 -0.258 25437 10077 1 17 . 1 1 25 25 ARG CA C 25 60.717 60.717 59.849 0.868 25437 10078 1 17 . 1 1 25 25 ARG CB C 25 29.257 29.257 30.211 -0.954 25437 10079 1 17 . 1 1 25 25 ARG H H 25 8.224 8.224 8.569 -0.345 25437 10080 1 17 . 1 1 26 26 ARG N N 26 119.944 119.944 118.765 1.179 25437 10081 1 17 . 1 1 26 26 ARG HA H 26 4.223 4.223 3.998 0.225 25437 10082 1 17 . 1 1 26 26 ARG CA C 26 57.097 57.097 59.232 -2.135 25437 10083 1 17 . 1 1 26 26 ARG CB C 26 28.888 28.888 30.304 -1.416 25437 10084 1 17 . 1 1 26 26 ARG H H 26 7.703 7.703 8.127 -0.424 25437 10085 1 17 . 1 1 27 27 ALA N N 27 122.041 122.041 122.498 -0.457 25437 10086 1 17 . 1 1 27 27 ALA HA H 27 3.611 3.611 3.913 -0.302 25437 10087 1 17 . 1 1 27 27 ALA CA C 27 55.249 55.249 54.986 0.263 25437 10088 1 17 . 1 1 27 27 ALA CB C 27 15.829 15.829 17.744 -1.915 25437 10089 1 17 . 1 1 27 27 ALA H H 27 8.754 8.754 8.327 0.427 25437 10090 1 17 . 1 1 28 28 LEU N N 28 117.421 117.421 119.198 -1.777 25437 10091 1 17 . 1 1 28 28 LEU HA H 28 4.053 4.053 4.392 -0.339 25437 10092 1 17 . 1 1 28 28 LEU CA C 28 57.757 57.757 58.117 -0.360 25437 10093 1 17 . 1 1 28 28 LEU CB C 28 40.351 40.351 41.528 -1.177 25437 10094 1 17 . 1 1 28 28 LEU H H 28 7.657 7.657 8.034 -0.377 25437 10095 1 17 . 1 1 29 29 GLU N N 29 114.911 114.911 117.380 -2.469 25437 10096 1 17 . 1 1 29 29 GLU HA H 29 4.023 4.023 4.174 -0.151 25437 10097 1 17 . 1 1 29 29 GLU CA C 29 58.489 58.489 58.205 0.284 25437 10098 1 17 . 1 1 29 29 GLU CB C 29 29.540 29.540 30.154 -0.614 25437 10099 1 17 . 1 1 29 29 GLU H H 29 7.039 7.039 7.644 -0.605 25437 10100 1 17 . 1 1 30 30 LEU N N 30 117.166 117.166 118.889 -1.723 25437 10101 1 17 . 1 1 30 30 LEU HA H 30 4.281 4.281 3.998 0.283 25437 10102 1 17 . 1 1 30 30 LEU CA C 30 55.266 55.266 56.746 -1.480 25437 10103 1 17 . 1 1 30 30 LEU CB C 30 44.403 44.403 42.301 2.102 25437 10104 1 17 . 1 1 30 30 LEU H H 30 7.353 7.353 8.186 -0.833 25437 10105 1 17 . 1 1 31 31 SER N N 31 116.260 116.260 114.303 1.957 25437 10106 1 17 . 1 1 31 31 SER HA H 31 4.557 4.557 4.262 0.295 25437 10107 1 17 . 1 1 31 31 SER CA C 31 55.723 55.723 57.399 -1.676 25437 10108 1 17 . 1 1 31 31 SER CB C 31 65.560 65.560 64.135 1.425 25437 10109 1 17 . 1 1 31 31 SER H H 31 7.742 7.742 7.832 -0.090 25437 10110 1 17 . 1 1 32 32 PRO HA H 32 4.609 4.609 4.194 0.415 25437 10111 1 17 . 1 1 32 32 PRO CA C 32 63.483 63.483 63.811 -0.328 25437 10112 1 17 . 1 1 32 32 PRO CB C 32 31.236 31.236 31.542 -0.306 25437 10113 1 17 . 1 1 33 33 TYR N N 33 114.714 114.714 118.468 -3.754 25437 10114 1 17 . 1 1 33 33 TYR HA H 33 4.710 4.710 4.769 -0.059 25437 10115 1 17 . 1 1 33 33 TYR CA C 33 56.742 56.742 54.815 1.927 25437 10116 1 17 . 1 1 33 33 TYR CB C 33 41.506 41.506 39.682 1.824 25437 10117 1 17 . 1 1 33 33 TYR H H 33 7.727 7.727 7.436 0.291 25437 10118 1 17 . 1 1 34 34 ASP N N 34 125.197 125.197 120.787 4.410 25437 10119 1 17 . 1 1 34 34 ASP HA H 34 3.524 3.524 4.605 -1.081 25437 10120 1 17 . 1 1 34 34 ASP CA C 34 52.353 52.353 54.552 -2.199 25437 10121 1 17 . 1 1 34 34 ASP CB C 34 37.720 37.720 41.760 -4.040 25437 10122 1 17 . 1 1 34 34 ASP H H 34 8.630 8.630 8.865 -0.235 25437 10123 1 17 . 1 1 35 35 PHE N N 35 115.803 115.803 113.209 2.594 25437 10124 1 17 . 1 1 35 35 PHE HA H 35 5.131 5.131 5.541 -0.410 25437 10125 1 17 . 1 1 35 35 PHE CA C 35 55.839 55.839 56.405 -0.566 25437 10126 1 17 . 1 1 35 35 PHE CB C 35 40.751 40.751 43.121 -2.370 25437 10127 1 17 . 1 1 35 35 PHE H H 35 7.250 7.250 8.097 -0.847 25437 10128 1 17 . 1 1 36 36 THR N N 36 113.338 113.338 116.895 -3.557 25437 10129 1 17 . 1 1 36 36 THR HA H 36 4.769 4.769 4.047 0.722 25437 10130 1 17 . 1 1 36 36 THR CA C 36 58.833 58.833 59.612 -0.779 25437 10131 1 17 . 1 1 36 36 THR CB C 36 71.387 71.387 70.052 1.335 25437 10132 1 17 . 1 1 36 36 THR H H 36 9.026 9.026 8.820 0.206 25437 10133 1 17 . 1 1 37 37 ILE N N 37 124.219 124.219 128.114 -3.895 25437 10134 1 17 . 1 1 37 37 ILE HA H 37 4.676 4.676 4.544 0.132 25437 10135 1 17 . 1 1 37 37 ILE CA C 37 58.395 58.395 61.187 -2.792 25437 10136 1 17 . 1 1 37 37 ILE CB C 37 34.649 34.649 38.350 -3.701 25437 10137 1 17 . 1 1 37 37 ILE H H 37 8.476 8.476 8.857 -0.381 25437 10138 1 17 . 1 1 38 38 VAL N N 38 124.271 124.271 126.340 -2.069 25437 10139 1 17 . 1 1 38 38 VAL HA H 38 3.981 3.981 4.281 -0.300 25437 10140 1 17 . 1 1 38 38 VAL CA C 38 63.144 63.144 63.214 -0.070 25437 10141 1 17 . 1 1 38 38 VAL CB C 38 32.658 32.658 33.151 -0.493 25437 10142 1 17 . 1 1 38 38 VAL H H 38 8.640 8.640 8.628 0.012 25437 10143 1 17 . 1 1 39 39 GLN N N 39 115.210 115.210 115.601 -0.391 25437 10144 1 17 . 1 1 39 39 GLN HA H 39 4.378 4.378 4.532 -0.154 25437 10145 1 17 . 1 1 39 39 GLN CA C 39 56.197 56.197 55.014 1.183 25437 10146 1 17 . 1 1 39 39 GLN CB C 39 33.463 33.463 32.746 0.717 25437 10147 1 17 . 1 1 39 39 GLN H H 39 7.305 7.305 7.654 -0.349 25437 10148 1 17 . 1 1 40 40 GLY N N 40 116.022 116.022 108.735 7.287 25437 10149 1 17 . 1 1 40 40 GLY CA C 40 45.347 45.347 45.806 -0.459 25437 10150 1 17 . 1 1 40 40 GLY H H 40 8.851 8.851 8.707 0.144 25437 10151 1 17 . 1 1 41 41 ILE N N 41 132.358 132.358 121.557 10.801 25437 10152 1 17 . 1 1 41 41 ILE HA H 41 4.715 4.715 4.550 0.165 25437 10153 1 17 . 1 1 41 41 ILE CA C 41 61.575 61.575 59.140 2.435 25437 10154 1 17 . 1 1 41 41 ILE CB C 41 38.774 38.774 41.755 -2.981 25437 10155 1 17 . 1 1 41 41 ILE H H 41 8.776 8.776 8.191 0.585 25437 10156 1 17 . 1 1 42 42 ARG N N 42 123.358 123.358 128.049 -4.691 25437 10157 1 17 . 1 1 42 42 ARG HA H 42 4.725 4.725 4.556 0.169 25437 10158 1 17 . 1 1 42 42 ARG CA C 42 54.576 54.576 55.360 -0.784 25437 10159 1 17 . 1 1 42 42 ARG CB C 42 33.425 33.425 30.537 2.888 25437 10160 1 17 . 1 1 42 42 ARG H H 42 7.154 7.154 8.448 -1.294 25437 10161 1 17 . 1 1 43 43 THR N N 43 115.494 115.494 118.550 -3.056 25437 10162 1 17 . 1 1 43 43 THR HA H 43 4.539 4.539 4.459 0.080 25437 10163 1 17 . 1 1 43 43 THR CA C 43 61.022 61.022 61.348 -0.326 25437 10164 1 17 . 1 1 43 43 THR CB C 43 70.577 70.577 69.542 1.035 25437 10165 1 17 . 1 1 43 43 THR H H 43 8.519 8.519 8.437 0.082 25437 10166 1 17 . 1 1 44 44 VAL N N 44 121.526 121.526 116.776 4.750 25437 10167 1 17 . 1 1 44 44 VAL HA H 44 3.956 3.956 4.040 -0.084 25437 10168 1 17 . 1 1 44 44 VAL CA C 44 63.977 63.977 64.186 -0.209 25437 10169 1 17 . 1 1 44 44 VAL CB C 44 32.313 32.313 30.816 1.497 25437 10170 1 17 . 1 1 44 44 VAL H H 44 8.516 8.516 8.315 0.201 25437 10171 1 17 . 1 1 45 45 ALA N N 45 125.457 125.457 122.331 3.126 25437 10172 1 17 . 1 1 45 45 ALA HA H 45 4.260 4.260 4.428 -0.168 25437 10173 1 17 . 1 1 45 45 ALA CA C 45 53.278 53.278 53.721 -0.443 25437 10174 1 17 . 1 1 45 45 ALA CB C 45 18.641 18.641 19.424 -0.783 25437 10175 1 17 . 1 1 45 45 ALA H H 45 8.311 8.311 7.975 0.336 25437 10176 1 17 . 1 1 46 46 GLN N N 46 118.271 118.271 119.455 -1.184 25437 10177 1 17 . 1 1 46 46 GLN HA H 46 4.232 4.232 4.094 0.138 25437 10178 1 17 . 1 1 46 46 GLN CA C 46 56.717 56.717 58.373 -1.657 25437 10179 1 17 . 1 1 46 46 GLN CB C 46 28.901 28.901 28.235 0.665 25437 10180 1 17 . 1 1 46 46 GLN H H 46 8.109 8.109 7.858 0.251 25437 10181 1 17 . 1 1 47 47 SER N N 47 116.127 116.127 114.826 1.301 25437 10182 1 17 . 1 1 47 47 SER HA H 47 4.361 4.361 4.120 0.241 25437 10183 1 17 . 1 1 47 47 SER CA C 47 59.082 59.082 60.595 -1.513 25437 10184 1 17 . 1 1 47 47 SER CB C 47 64.009 64.009 62.914 1.095 25437 10185 1 17 . 1 1 47 47 SER H H 47 8.199 8.199 7.792 0.407 25437 10186 1 17 . 1 1 48 48 ALA N N 48 124.628 124.628 122.800 1.828 25437 10187 1 17 . 1 1 48 48 ALA HA H 48 4.253 4.253 4.081 0.172 25437 10188 1 17 . 1 1 48 48 ALA CA C 48 53.325 53.325 54.279 -0.953 25437 10189 1 17 . 1 1 48 48 ALA CB C 48 18.552 18.552 18.923 -0.371 25437 10190 1 17 . 1 1 48 48 ALA H H 48 8.315 8.315 8.324 -0.009 25437 10191 1 17 . 1 1 49 49 GLN N N 49 119.160 119.160 118.360 0.800 25437 10192 1 17 . 1 1 49 49 GLN HA H 49 4.232 4.232 4.077 0.155 25437 10193 1 17 . 1 1 49 49 GLN CA C 49 56.850 56.850 58.001 -1.151 25437 10194 1 17 . 1 1 49 49 GLN CB C 49 28.992 28.992 28.291 0.701 25437 10195 1 17 . 1 1 49 49 GLN H H 49 8.153 8.153 7.949 0.204 25437 10196 1 17 . 1 1 50 50 ASN N N 50 119.112 119.112 120.020 -0.908 25437 10197 1 17 . 1 1 50 50 ASN HA H 50 4.660 4.660 4.500 0.160 25437 10198 1 17 . 1 1 50 50 ASN CA C 50 53.572 53.572 56.068 -2.496 25437 10199 1 17 . 1 1 50 50 ASN CB C 50 38.376 38.376 38.710 -0.334 25437 10200 1 17 . 1 1 50 50 ASN H H 50 8.205 8.205 8.107 0.098 25437 10201 1 17 . 1 1 51 51 ILE N N 51 120.639 120.639 115.060 5.579 25437 10202 1 17 . 1 1 51 51 ILE HA H 51 4.095 4.095 4.371 -0.276 25437 10203 1 17 . 1 1 51 51 ILE CA C 51 61.954 61.954 59.077 2.877 25437 10204 1 17 . 1 1 51 51 ILE CB C 51 38.414 38.414 35.853 2.561 25437 10205 1 17 . 1 1 51 51 ILE H H 51 7.939 7.939 7.340 0.599 25437 10206 1 17 . 1 1 52 52 ALA N N 52 126.459 126.459 124.320 2.139 25437 10207 1 17 . 1 1 52 52 ALA HA H 52 4.246 4.246 3.966 0.280 25437 10208 1 17 . 1 1 52 52 ALA CA C 52 53.189 53.189 54.593 -1.404 25437 10209 1 17 . 1 1 52 52 ALA CB C 52 18.453 18.453 18.485 -0.032 25437 10210 1 17 . 1 1 52 52 ALA H H 52 8.251 8.251 8.004 0.247 25437 10211 1 17 . 1 1 53 53 ASN N N 53 116.801 116.801 116.424 0.377 25437 10212 1 17 . 1 1 53 53 ASN HA H 53 4.648 4.648 4.494 0.154 25437 10213 1 17 . 1 1 53 53 ASN CA C 53 53.425 53.425 55.314 -1.889 25437 10214 1 17 . 1 1 53 53 ASN CB C 53 38.600 38.600 38.646 -0.046 25437 10215 1 17 . 1 1 53 53 ASN H H 53 8.230 8.230 8.454 -0.224 25437 10216 1 17 . 1 1 54 54 GLY N N 54 108.549 108.549 106.728 1.821 25437 10217 1 17 . 1 1 54 54 GLY CA C 54 45.746 45.746 45.042 0.704 25437 10218 1 17 . 1 1 54 54 GLY H H 54 8.191 8.191 7.720 0.471 25437 10219 1 17 . 1 1 55 55 THR N N 55 112.528 112.528 118.185 -5.657 25437 10220 1 17 . 1 1 55 55 THR HA H 55 4.282 4.282 4.237 0.045 25437 10221 1 17 . 1 1 55 55 THR CA C 55 62.118 62.118 62.859 -0.741 25437 10222 1 17 . 1 1 55 55 THR CB C 55 69.796 69.796 69.198 0.598 25437 10223 1 17 . 1 1 55 55 THR H H 55 8.003 8.003 7.997 0.006 25437 10224 1 17 . 1 1 56 56 SER N N 56 116.986 116.986 122.137 -5.151 25437 10225 1 17 . 1 1 56 56 SER HA H 56 4.362 4.362 4.393 -0.031 25437 10226 1 17 . 1 1 56 56 SER CA C 56 58.454 58.454 59.258 -0.804 25437 10227 1 17 . 1 1 56 56 SER CB C 56 63.762 63.762 63.510 0.252 25437 10228 1 17 . 1 1 56 56 SER H H 56 8.043 8.043 8.530 -0.487 25437 10229 1 17 . 1 1 57 57 PHE N N 57 121.981 121.981 120.735 1.246 25437 10230 1 17 . 1 1 57 57 PHE HA H 57 4.579 4.579 4.338 0.241 25437 10231 1 17 . 1 1 57 57 PHE CA C 57 57.929 57.929 60.032 -2.103 25437 10232 1 17 . 1 1 57 57 PHE CB C 57 39.068 39.068 39.001 0.067 25437 10233 1 17 . 1 1 57 57 PHE H H 57 8.120 8.120 8.525 -0.405 25437 10234 1 17 . 1 1 58 58 LEU N N 58 121.621 121.621 118.420 3.201 25437 10235 1 17 . 1 1 58 58 LEU HA H 58 4.174 4.174 4.446 -0.272 25437 10236 1 17 . 1 1 58 58 LEU CA C 58 55.350 55.350 54.360 0.990 25437 10237 1 17 . 1 1 58 58 LEU CB C 58 42.340 42.340 40.284 2.056 25437 10238 1 17 . 1 1 58 58 LEU H H 58 7.806 7.806 7.621 0.185 25437 10239 1 17 . 1 1 59 59 LYS N N 59 120.388 120.388 120.616 -0.228 25437 10240 1 17 . 1 1 59 59 LYS HA H 59 4.230 4.230 4.273 -0.043 25437 10241 1 17 . 1 1 59 59 LYS CA C 59 55.823 55.823 56.505 -0.682 25437 10242 1 17 . 1 1 59 59 LYS CB C 59 32.616 32.616 32.660 -0.043 25437 10243 1 17 . 1 1 59 59 LYS H H 59 8.068 8.068 7.354 0.714 25437 10244 1 17 . 1 1 60 60 ASP N N 60 121.094 121.094 119.165 1.929 25437 10245 1 17 . 1 1 60 60 ASP HA H 60 4.828 4.828 4.734 0.094 25437 10246 1 17 . 1 1 60 60 ASP CA C 60 53.698 53.698 52.856 0.842 25437 10247 1 17 . 1 1 60 60 ASP CB C 60 41.652 41.652 39.618 2.034 25437 10248 1 17 . 1 1 60 60 ASP H H 60 7.959 7.959 8.372 -0.413 25437 10249 1 17 . 1 1 61 61 PRO HA H 61 4.388 4.388 4.513 -0.125 25437 10250 1 17 . 1 1 61 61 PRO CA C 61 63.263 63.263 63.027 0.236 25437 10251 1 17 . 1 1 61 61 PRO CB C 61 31.697 31.697 30.209 1.488 25437 10252 1 17 . 1 1 62 62 SER N N 62 115.353 115.353 115.638 -0.285 25437 10253 1 17 . 1 1 62 62 SER HA H 62 4.365 4.365 4.630 -0.265 25437 10254 1 17 . 1 1 62 62 SER CA C 62 59.258 59.258 57.649 1.609 25437 10255 1 17 . 1 1 62 62 SER CB C 62 63.634 63.634 63.931 -0.297 25437 10256 1 17 . 1 1 62 62 SER H H 62 8.420 8.420 8.099 0.321 25437 10257 1 17 . 1 1 63 63 LYS N N 63 122.360 122.360 121.927 0.433 25437 10258 1 17 . 1 1 63 63 LYS HA H 63 4.266 4.266 4.147 0.119 25437 10259 1 17 . 1 1 63 63 LYS CA C 63 56.628 56.628 57.753 -1.125 25437 10260 1 17 . 1 1 63 63 LYS CB C 63 29.327 29.327 32.564 -3.237 25437 10261 1 17 . 1 1 63 63 LYS H H 63 8.405 8.405 8.289 0.116 25437 10262 1 17 . 1 1 65 65 LYS N N 65 125.418 125.418 118.630 6.788 25437 10263 1 17 . 1 1 65 65 LYS HA H 65 4.146 4.146 4.595 -0.449 25437 10264 1 17 . 1 1 65 65 LYS CA C 65 63.350 63.350 56.996 6.354 25437 10265 1 17 . 1 1 65 65 LYS CB C 65 31.891 31.891 32.820 -0.929 25437 10266 1 17 . 1 1 65 65 LYS H H 65 8.369 8.369 8.885 -0.516 25437 10267 1 17 . 1 1 66 66 HIS N N 66 121.236 121.236 121.763 -0.527 25437 10268 1 17 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.419 0.126 25437 10269 1 17 . 1 1 66 66 HIS CA C 66 59.256 59.256 59.909 -0.653 25437 10270 1 17 . 1 1 66 66 HIS CB C 66 28.619 28.619 29.531 -0.912 25437 10271 1 17 . 1 1 66 66 HIS H H 66 8.758 8.758 8.652 0.107 25437 10272 1 17 . 1 1 67 67 ILE N N 67 120.137 120.137 116.943 3.194 25437 10273 1 17 . 1 1 67 67 ILE HA H 67 4.372 4.372 3.994 0.378 25437 10274 1 17 . 1 1 67 67 ILE CA C 67 63.961 63.961 63.586 0.375 25437 10275 1 17 . 1 1 67 67 ILE CB C 67 37.935 37.935 36.472 1.463 25437 10276 1 17 . 1 1 67 67 ILE H H 67 7.849 7.849 8.320 -0.471 25437 10277 1 17 . 1 1 68 68 THR N N 68 104.067 104.067 108.606 -4.539 25437 10278 1 17 . 1 1 68 68 THR HA H 68 4.397 4.397 4.344 0.053 25437 10279 1 17 . 1 1 68 68 THR CA C 68 61.343 61.343 61.927 -0.584 25437 10280 1 17 . 1 1 68 68 THR CB C 68 68.473 68.473 69.502 -1.029 25437 10281 1 17 . 1 1 68 68 THR H H 68 7.168 7.168 7.646 -0.478 25437 10282 1 17 . 1 1 69 69 GLY N N 69 107.308 107.308 110.902 -3.594 25437 10283 1 17 . 1 1 69 69 GLY CA C 69 46.665 46.665 46.288 0.376 25437 10284 1 17 . 1 1 69 69 GLY H H 69 7.169 7.169 7.678 -0.509 25437 10285 1 17 . 1 1 70 70 ASP N N 70 114.629 114.629 119.426 -4.797 25437 10286 1 17 . 1 1 70 70 ASP HA H 70 4.734 4.734 4.688 0.046 25437 10287 1 17 . 1 1 70 70 ASP CA C 70 54.627 54.627 54.221 0.406 25437 10288 1 17 . 1 1 70 70 ASP CB C 70 44.451 44.451 41.372 3.079 25437 10289 1 17 . 1 1 70 70 ASP H H 70 7.644 7.644 7.587 0.057 25437 10290 1 17 . 1 1 71 71 ALA N N 71 118.917 118.917 117.649 1.268 25437 10291 1 17 . 1 1 71 71 ALA HA H 71 5.062 5.062 5.014 0.048 25437 10292 1 17 . 1 1 71 71 ALA CA C 71 51.498 51.498 50.934 0.564 25437 10293 1 17 . 1 1 71 71 ALA CB C 71 21.994 21.994 21.532 0.462 25437 10294 1 17 . 1 1 71 71 ALA H H 71 7.529 7.529 7.349 0.180 25437 10295 1 17 . 1 1 72 72 ILE N N 72 110.818 110.818 113.696 -2.878 25437 10296 1 17 . 1 1 72 72 ILE HA H 72 5.249 5.249 4.691 0.558 25437 10297 1 17 . 1 1 72 72 ILE CA C 72 58.821 58.821 60.235 -1.414 25437 10298 1 17 . 1 1 72 72 ILE CB C 72 43.709 43.709 42.149 1.560 25437 10299 1 17 . 1 1 72 72 ILE H H 72 8.449 8.449 8.489 -0.040 25437 10300 1 17 . 1 1 73 73 ASP N N 73 117.790 117.790 122.131 -4.341 25437 10301 1 17 . 1 1 73 73 ASP HA H 73 6.094 6.094 5.416 0.678 25437 10302 1 17 . 1 1 73 73 ASP CA C 73 52.090 52.090 53.180 -1.090 25437 10303 1 17 . 1 1 73 73 ASP CB C 73 42.655 42.655 44.658 -2.003 25437 10304 1 17 . 1 1 73 73 ASP H H 73 8.442 8.442 8.974 -0.532 25437 10305 1 17 . 1 1 74 74 PHE N N 74 122.479 122.479 121.868 0.611 25437 10306 1 17 . 1 1 74 74 PHE HA H 74 6.173 6.173 5.550 0.624 25437 10307 1 17 . 1 1 74 74 PHE CA C 74 54.775 54.775 56.614 -1.839 25437 10308 1 17 . 1 1 74 74 PHE CB C 74 44.115 44.115 42.995 1.120 25437 10309 1 17 . 1 1 74 74 PHE H H 74 9.463 9.463 7.710 1.753 25437 10310 1 17 . 1 1 75 75 ALA N N 75 118.862 118.862 121.755 -2.893 25437 10311 1 17 . 1 1 75 75 ALA HA H 75 4.453 4.453 4.481 -0.028 25437 10312 1 17 . 1 1 75 75 ALA CA C 75 50.134 50.134 49.019 1.115 25437 10313 1 17 . 1 1 75 75 ALA CB C 75 21.020 21.020 21.720 -0.700 25437 10314 1 17 . 1 1 75 75 ALA H H 75 8.575 8.575 9.356 -0.781 25437 10315 1 17 . 1 1 76 76 PRO HA H 76 4.466 4.466 4.820 -0.354 25437 10316 1 17 . 1 1 76 76 PRO CA C 76 62.353 62.353 63.001 -0.648 25437 10317 1 17 . 1 1 76 76 PRO CB C 76 32.135 32.135 31.465 0.670 25437 10318 1 17 . 1 1 77 77 TYR N N 77 126.211 126.211 126.108 0.103 25437 10319 1 17 . 1 1 77 77 TYR HA H 77 4.835 4.835 4.362 0.473 25437 10320 1 17 . 1 1 77 77 TYR CA C 77 56.830 56.830 58.678 -1.848 25437 10321 1 17 . 1 1 77 77 TYR CB C 77 40.384 40.384 40.840 -0.456 25437 10322 1 17 . 1 1 77 77 TYR H H 77 8.357 8.357 8.706 -0.349 25437 10323 1 17 . 1 1 78 78 ILE N N 78 124.613 124.613 123.519 1.094 25437 10324 1 17 . 1 1 78 78 ILE HA H 78 4.210 4.210 4.333 -0.123 25437 10325 1 17 . 1 1 78 78 ILE CA C 78 59.941 59.941 60.675 -0.733 25437 10326 1 17 . 1 1 78 78 ILE CB C 78 40.652 40.652 41.619 -0.967 25437 10327 1 17 . 1 1 78 78 ILE H H 78 8.334 8.334 8.616 -0.282 25437 10328 1 17 . 1 1 79 79 ASN N N 79 126.361 126.361 126.515 -0.154 25437 10329 1 17 . 1 1 79 79 ASN HA H 79 4.339 4.339 4.411 -0.072 25437 10330 1 17 . 1 1 79 79 ASN CA C 79 53.937 53.937 54.142 -0.205 25437 10331 1 17 . 1 1 79 79 ASN CB C 79 36.887 36.887 38.034 -1.147 25437 10332 1 17 . 1 1 79 79 ASN H H 79 9.444 9.444 9.243 0.201 25437 10333 1 17 . 1 1 80 80 GLY N N 80 102.068 102.068 102.781 -0.713 25437 10334 1 17 . 1 1 80 80 GLY CA C 80 45.663 45.663 45.382 0.281 25437 10335 1 17 . 1 1 80 80 GLY H H 80 8.240 8.240 8.857 -0.617 25437 10336 1 17 . 1 1 81 81 LYS N N 81 117.260 117.260 116.726 0.534 25437 10337 1 17 . 1 1 81 81 LYS HA H 81 4.534 4.534 4.275 0.259 25437 10338 1 17 . 1 1 81 81 LYS CA C 81 54.226 54.226 53.889 0.337 25437 10339 1 17 . 1 1 81 81 LYS CB C 81 35.655 35.655 35.111 0.544 25437 10340 1 17 . 1 1 81 81 LYS H H 81 7.046 7.046 7.371 -0.325 25437 10341 1 17 . 1 1 82 82 ILE N N 82 122.347 122.347 121.545 0.802 25437 10342 1 17 . 1 1 82 82 ILE HA H 82 4.091 4.091 3.505 0.586 25437 10343 1 17 . 1 1 82 82 ILE CA C 82 62.621 62.621 62.454 0.167 25437 10344 1 17 . 1 1 82 82 ILE CB C 82 37.833 37.833 37.827 0.006 25437 10345 1 17 . 1 1 82 82 ILE H H 82 8.418 8.418 8.275 0.143 25437 10346 1 17 . 1 1 83 83 ASP N N 83 128.498 128.498 126.156 2.342 25437 10347 1 17 . 1 1 83 83 ASP HA H 83 4.808 4.808 4.611 0.197 25437 10348 1 17 . 1 1 83 83 ASP CA C 83 51.619 51.619 52.818 -1.199 25437 10349 1 17 . 1 1 83 83 ASP CB C 83 41.079 41.079 40.488 0.591 25437 10350 1 17 . 1 1 83 83 ASP H H 83 8.028 8.028 8.426 -0.398 25437 10351 1 17 . 1 1 84 84 TRP N N 84 121.807 121.807 124.743 -2.936 25437 10352 1 17 . 1 1 84 84 TRP HA H 84 4.574 4.574 4.566 0.008 25437 10353 1 17 . 1 1 84 84 TRP CA C 84 58.456 58.456 57.191 1.265 25437 10354 1 17 . 1 1 84 84 TRP CB C 84 30.177 30.177 30.865 -0.688 25437 10355 1 17 . 1 1 84 84 TRP H H 84 8.081 8.081 7.996 0.085 25437 10356 1 17 . 1 1 85 85 ASN N N 85 113.227 113.227 115.998 -2.771 25437 10357 1 17 . 1 1 85 85 ASN HA H 85 4.975 4.975 4.858 0.117 25437 10358 1 17 . 1 1 85 85 ASN CA C 85 53.430 53.430 53.522 -0.092 25437 10359 1 17 . 1 1 85 85 ASN CB C 85 40.162 40.162 39.369 0.793 25437 10360 1 17 . 1 1 85 85 ASN H H 85 8.386 8.386 7.939 0.447 25437 10361 1 17 . 1 1 86 86 ASP N N 86 118.821 118.821 123.663 -4.842 25437 10362 1 17 . 1 1 86 86 ASP HA H 86 4.813 4.813 4.691 0.122 25437 10363 1 17 . 1 1 86 86 ASP CA C 86 52.255 52.255 54.485 -2.230 25437 10364 1 17 . 1 1 86 86 ASP CB C 86 37.613 37.613 39.784 -2.171 25437 10365 1 17 . 1 1 86 86 ASP H H 86 7.405 7.405 8.104 -0.699 25437 10366 1 17 . 1 1 87 87 LEU N N 87 127.177 127.177 121.875 5.302 25437 10367 1 17 . 1 1 87 87 LEU HA H 87 4.055 4.055 4.388 -0.333 25437 10368 1 17 . 1 1 87 87 LEU CA C 87 58.321 58.321 57.270 1.051 25437 10369 1 17 . 1 1 87 87 LEU CB C 87 40.887 40.887 41.545 -0.658 25437 10370 1 17 . 1 1 87 87 LEU H H 87 8.274 8.274 7.872 0.402 25437 10371 1 17 . 1 1 88 88 GLU N N 88 114.132 114.132 120.799 -6.667 25437 10372 1 17 . 1 1 88 88 GLU HA H 88 3.938 3.938 3.977 -0.039 25437 10373 1 17 . 1 1 88 88 GLU CA C 88 59.437 59.437 59.453 -0.016 25437 10374 1 17 . 1 1 88 88 GLU CB C 88 27.987 27.987 28.919 -0.932 25437 10375 1 17 . 1 1 88 88 GLU H H 88 8.257 8.257 8.624 -0.367 25437 10376 1 17 . 1 1 89 89 ALA N N 89 122.075 122.075 121.045 1.030 25437 10377 1 17 . 1 1 89 89 ALA HA H 89 3.799 3.799 4.420 -0.621 25437 10378 1 17 . 1 1 89 89 ALA CA C 89 54.703 54.703 54.160 0.543 25437 10379 1 17 . 1 1 89 89 ALA CB C 89 17.635 17.635 18.016 -0.381 25437 10380 1 17 . 1 1 89 89 ALA H H 89 7.418 7.418 7.968 -0.550 25437 10381 1 17 . 1 1 90 90 PHE N N 90 116.551 116.551 120.356 -3.805 25437 10382 1 17 . 1 1 90 90 PHE HA H 90 4.025 4.025 4.344 -0.319 25437 10383 1 17 . 1 1 90 90 PHE CA C 90 64.150 64.150 59.272 4.878 25437 10384 1 17 . 1 1 90 90 PHE CB C 90 38.965 38.965 38.955 0.010 25437 10385 1 17 . 1 1 90 90 PHE H H 90 7.777 7.777 7.496 0.281 25437 10386 1 17 . 1 1 91 91 TRP N N 91 119.390 119.390 120.893 -1.503 25437 10387 1 17 . 1 1 91 91 TRP HA H 91 4.578 4.578 4.068 0.510 25437 10388 1 17 . 1 1 91 91 TRP CA C 91 59.217 59.217 59.860 -0.643 25437 10389 1 17 . 1 1 91 91 TRP CB C 91 29.802 29.802 28.853 0.949 25437 10390 1 17 . 1 1 91 91 TRP H H 91 7.821 7.821 8.112 -0.291 25437 10391 1 17 . 1 1 92 92 ALA N N 92 121.275 121.275 121.824 -0.549 25437 10392 1 17 . 1 1 92 92 ALA HA H 92 4.124 4.124 3.965 0.159 25437 10393 1 17 . 1 1 92 92 ALA CA C 92 55.229 55.229 54.842 0.388 25437 10394 1 17 . 1 1 92 92 ALA CB C 92 18.870 18.870 18.340 0.530 25437 10395 1 17 . 1 1 92 92 ALA H H 92 8.242 8.242 7.510 0.732 25437 10396 1 17 . 1 1 93 93 VAL N N 93 120.454 120.454 119.688 0.766 25437 10397 1 17 . 1 1 93 93 VAL HA H 93 3.600 3.600 3.727 -0.127 25437 10398 1 17 . 1 1 93 93 VAL CA C 93 66.424 66.424 66.942 -0.518 25437 10399 1 17 . 1 1 93 93 VAL CB C 93 30.676 30.676 31.860 -1.184 25437 10400 1 17 . 1 1 93 93 VAL H H 93 8.259 8.259 7.742 0.517 25437 10401 1 17 . 1 1 94 94 LYS N N 94 122.098 122.098 118.947 3.151 25437 10402 1 17 . 1 1 94 94 LYS HA H 94 3.690 3.690 3.811 -0.121 25437 10403 1 17 . 1 1 94 94 LYS CA C 94 60.959 60.959 59.029 1.930 25437 10404 1 17 . 1 1 94 94 LYS CB C 94 31.484 31.484 31.406 0.078 25437 10405 1 17 . 1 1 94 94 LYS H H 94 8.382 8.382 7.948 0.434 25437 10406 1 17 . 1 1 95 95 LYS N N 95 118.030 118.030 117.969 0.061 25437 10407 1 17 . 1 1 95 95 LYS HA H 95 3.958 3.958 3.968 -0.010 25437 10408 1 17 . 1 1 95 95 LYS CA C 95 59.212 59.212 59.005 0.207 25437 10409 1 17 . 1 1 95 95 LYS CB C 95 31.219 31.219 32.000 -0.781 25437 10410 1 17 . 1 1 95 95 LYS H H 95 7.957 7.957 7.443 0.514 25437 10411 1 17 . 1 1 96 96 ALA N N 96 124.359 124.359 122.810 1.549 25437 10412 1 17 . 1 1 96 96 ALA HA H 96 4.229 4.229 4.075 0.154 25437 10413 1 17 . 1 1 96 96 ALA CA C 96 55.422 55.422 54.993 0.429 25437 10414 1 17 . 1 1 96 96 ALA CB C 96 17.148 17.148 18.334 -1.186 25437 10415 1 17 . 1 1 96 96 ALA H H 96 7.668 7.668 7.914 -0.246 25437 10416 1 17 . 1 1 97 97 PHE N N 97 117.446 117.446 118.208 -0.762 25437 10417 1 17 . 1 1 97 97 PHE HA H 97 3.883 3.883 4.138 -0.255 25437 10418 1 17 . 1 1 97 97 PHE CA C 97 63.187 63.187 62.374 0.813 25437 10419 1 17 . 1 1 97 97 PHE CB C 97 40.401 40.401 39.343 1.058 25437 10420 1 17 . 1 1 97 97 PHE H H 97 8.369 8.369 8.080 0.289 25437 10421 1 17 . 1 1 98 98 GLU N N 98 119.148 119.148 118.128 1.020 25437 10422 1 17 . 1 1 98 98 GLU HA H 98 4.140 4.140 4.110 0.030 25437 10423 1 17 . 1 1 98 98 GLU CA C 98 59.610 59.610 58.825 0.784 25437 10424 1 17 . 1 1 98 98 GLU CB C 98 29.444 29.444 29.230 0.214 25437 10425 1 17 . 1 1 98 98 GLU H H 98 8.821 8.821 7.948 0.873 25437 10426 1 17 . 1 1 99 99 GLN N N 99 120.727 120.727 118.495 2.232 25437 10427 1 17 . 1 1 99 99 GLN HA H 99 4.061 4.061 4.178 -0.117 25437 10428 1 17 . 1 1 99 99 GLN CA C 99 59.130 59.130 57.854 1.276 25437 10429 1 17 . 1 1 99 99 GLN CB C 99 27.524 27.524 28.552 -1.028 25437 10430 1 17 . 1 1 99 99 GLN H H 99 8.436 8.436 8.108 0.328 25437 10431 1 17 . 1 1 100 100 ALA N N 100 122.603 122.603 122.356 0.247 25437 10432 1 17 . 1 1 100 100 ALA HA H 100 3.886 3.886 4.146 -0.260 25437 10433 1 17 . 1 1 100 100 ALA CA C 100 55.399 55.399 54.664 0.735 25437 10434 1 17 . 1 1 100 100 ALA CB C 100 19.472 19.472 18.447 1.025 25437 10435 1 17 . 1 1 100 100 ALA H H 100 8.433 8.433 8.321 0.112 25437 10436 1 17 . 1 1 101 101 GLY N N 101 104.253 104.253 105.201 -0.948 25437 10437 1 17 . 1 1 101 101 GLY CA C 101 47.843 47.843 46.565 1.278 25437 10438 1 17 . 1 1 101 101 GLY H H 101 9.035 9.035 7.948 1.087 25437 10439 1 17 . 1 1 102 102 LYS N N 102 121.912 121.912 121.226 0.686 25437 10440 1 17 . 1 1 102 102 LYS HA H 102 4.116 4.116 4.027 0.089 25437 10441 1 17 . 1 1 102 102 LYS CA C 102 59.314 59.314 59.473 -0.159 25437 10442 1 17 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.387 -0.208 25437 10443 1 17 . 1 1 102 102 LYS H H 102 7.928 7.928 7.282 0.646 25437 10444 1 17 . 1 1 103 103 GLU N N 103 119.382 119.382 118.851 0.531 25437 10445 1 17 . 1 1 103 103 GLU HA H 103 3.989 3.989 4.111 -0.122 25437 10446 1 17 . 1 1 103 103 GLU CA C 103 59.093 59.093 58.627 0.466 25437 10447 1 17 . 1 1 103 103 GLU CB C 103 30.127 30.127 29.363 0.764 25437 10448 1 17 . 1 1 103 103 GLU H H 103 8.406 8.406 7.619 0.787 25437 10449 1 17 . 1 1 104 104 LEU N N 104 115.551 115.551 117.850 -2.299 25437 10450 1 17 . 1 1 104 104 LEU HA H 104 4.360 4.360 4.194 0.166 25437 10451 1 17 . 1 1 104 104 LEU CA C 104 55.185 55.185 55.433 -0.248 25437 10452 1 17 . 1 1 104 104 LEU CB C 104 43.105 43.105 42.151 0.953 25437 10453 1 17 . 1 1 104 104 LEU H H 104 7.999 7.999 8.135 -0.136 25437 10454 1 17 . 1 1 105 105 GLY N N 105 110.561 110.561 104.789 5.772 25437 10455 1 17 . 1 1 105 105 GLY CA C 105 46.480 46.480 45.280 1.200 25437 10456 1 17 . 1 1 105 105 GLY H H 105 7.898 7.898 7.428 0.470 25437 10457 1 17 . 1 1 106 106 ILE N N 106 121.745 121.745 121.882 -0.137 25437 10458 1 17 . 1 1 106 106 ILE HA H 106 4.227 4.227 4.002 0.225 25437 10459 1 17 . 1 1 106 106 ILE CA C 106 59.717 59.717 61.120 -1.403 25437 10460 1 17 . 1 1 106 106 ILE CB C 106 41.096 41.096 38.871 2.225 25437 10461 1 17 . 1 1 106 106 ILE H H 106 8.428 8.428 7.720 0.708 25437 10462 1 17 . 1 1 107 107 LYS N N 107 127.736 127.736 126.906 0.830 25437 10463 1 17 . 1 1 107 107 LYS HA H 107 4.275 4.275 4.110 0.165 25437 10464 1 17 . 1 1 107 107 LYS CA C 107 57.224 57.224 57.535 -0.311 25437 10465 1 17 . 1 1 107 107 LYS CB C 107 32.752 32.752 32.865 -0.113 25437 10466 1 17 . 1 1 107 107 LYS H H 107 8.489 8.489 8.567 -0.078 25437 10467 1 17 . 1 1 108 108 LEU N N 108 122.881 122.881 120.957 1.924 25437 10468 1 17 . 1 1 108 108 LEU HA H 108 5.235 5.235 4.593 0.642 25437 10469 1 17 . 1 1 108 108 LEU CA C 108 53.287 53.287 54.669 -1.381 25437 10470 1 17 . 1 1 108 108 LEU CB C 108 47.016 47.016 44.206 2.810 25437 10471 1 17 . 1 1 108 108 LEU H H 108 8.049 8.049 7.995 0.054 25437 10472 1 17 . 1 1 109 109 ARG N N 109 120.726 120.726 122.687 -1.961 25437 10473 1 17 . 1 1 109 109 ARG HA H 109 4.438 4.438 4.282 0.156 25437 10474 1 17 . 1 1 109 109 ARG CA C 109 55.193 55.193 54.704 0.489 25437 10475 1 17 . 1 1 109 109 ARG CB C 109 33.519 33.519 34.877 -1.358 25437 10476 1 17 . 1 1 109 109 ARG H H 109 8.736 8.736 7.897 0.839 25437 10477 1 17 . 1 1 110 110 PHE N N 110 121.516 121.516 121.106 0.410 25437 10478 1 17 . 1 1 110 110 PHE HA H 110 5.303 5.303 5.055 0.248 25437 10479 1 17 . 1 1 110 110 PHE CA C 110 56.644 56.644 56.481 0.163 25437 10480 1 17 . 1 1 110 110 PHE CB C 110 40.602 40.602 38.875 1.727 25437 10481 1 17 . 1 1 110 110 PHE H H 110 8.707 8.707 8.649 0.058 25437 10482 1 17 . 1 1 111 111 GLY N N 111 108.992 108.992 112.366 -3.374 25437 10483 1 17 . 1 1 111 111 GLY CA C 111 45.604 45.604 45.227 0.377 25437 10484 1 17 . 1 1 111 111 GLY H H 111 7.819 7.819 8.561 -0.742 25437 10485 1 17 . 1 1 112 112 ALA N N 112 111.448 111.448 122.230 -10.782 25437 10486 1 17 . 1 1 112 112 ALA HA H 112 3.858 3.858 3.993 -0.135 25437 10487 1 17 . 1 1 112 112 ALA CA C 112 52.083 52.083 52.686 -0.603 25437 10488 1 17 . 1 1 112 112 ALA CB C 112 18.655 18.655 19.574 -0.919 25437 10489 1 17 . 1 1 112 112 ALA H H 112 7.945 7.945 8.156 -0.211 25437 10490 1 17 . 1 1 113 113 ASP N N 113 106.770 106.770 121.083 -14.313 25437 10491 1 17 . 1 1 113 113 ASP HA H 113 5.157 5.157 4.344 0.813 25437 10492 1 17 . 1 1 113 113 ASP CA C 113 52.285 52.285 57.785 -5.500 25437 10493 1 17 . 1 1 113 113 ASP CB C 113 41.465 41.465 40.429 1.036 25437 10494 1 17 . 1 1 113 113 ASP H H 113 7.000 7.000 8.477 -1.477 25437 10495 1 17 . 1 1 114 114 TRP N N 114 119.829 119.829 116.484 3.345 25437 10496 1 17 . 1 1 114 114 TRP HA H 114 4.184 4.184 4.547 -0.363 25437 10497 1 17 . 1 1 114 114 TRP CA C 114 61.455 61.455 58.409 3.046 25437 10498 1 17 . 1 1 114 114 TRP CB C 114 26.427 26.427 28.248 -1.821 25437 10499 1 17 . 1 1 114 114 TRP H H 114 7.589 7.589 7.938 -0.349 25437 10500 1 17 . 1 1 115 115 ASN N N 115 117.900 117.900 120.084 -2.184 25437 10501 1 17 . 1 1 115 115 ASN HA H 115 4.548 4.548 4.041 0.507 25437 10502 1 17 . 1 1 115 115 ASN CA C 115 55.955 55.955 55.271 0.684 25437 10503 1 17 . 1 1 115 115 ASN CB C 115 36.818 36.818 37.660 -0.842 25437 10504 1 17 . 1 1 115 115 ASN H H 115 9.503 9.503 7.099 2.404 25437 10505 1 17 . 1 1 116 116 ALA N N 116 123.758 123.758 122.064 1.694 25437 10506 1 17 . 1 1 116 116 ALA HA H 116 4.181 4.181 3.971 0.209 25437 10507 1 17 . 1 1 116 116 ALA CA C 116 53.111 53.111 54.410 -1.300 25437 10508 1 17 . 1 1 116 116 ALA CB C 116 16.596 16.596 18.408 -1.812 25437 10509 1 17 . 1 1 116 116 ALA H H 116 8.079 8.079 7.820 0.259 25437 10510 1 17 . 1 1 117 117 SER N N 117 116.009 116.009 113.233 2.776 25437 10511 1 17 . 1 1 117 117 SER HA H 117 4.417 4.417 4.257 0.160 25437 10512 1 17 . 1 1 117 117 SER CA C 117 59.433 59.433 59.176 0.257 25437 10513 1 17 . 1 1 117 117 SER CB C 117 65.026 65.026 63.981 1.045 25437 10514 1 17 . 1 1 117 117 SER H H 117 9.460 9.460 7.666 1.794 25437 10515 1 17 . 1 1 118 118 GLY N N 118 115.031 115.031 110.484 4.547 25437 10516 1 17 . 1 1 118 118 GLY CA C 118 45.197 45.197 44.883 0.314 25437 10517 1 17 . 1 1 118 118 GLY H H 118 10.733 10.733 7.658 3.075 25437 10518 1 17 . 1 1 119 119 ASP N N 119 116.435 116.435 122.518 -6.083 25437 10519 1 17 . 1 1 119 119 ASP HA H 119 4.590 4.590 4.434 0.156 25437 10520 1 17 . 1 1 119 119 ASP CA C 119 53.181 53.181 52.813 0.368 25437 10521 1 17 . 1 1 119 119 ASP CB C 119 43.864 43.864 43.247 0.617 25437 10522 1 17 . 1 1 119 119 ASP H H 119 7.770 7.770 7.927 -0.157 25437 10523 1 17 . 1 1 120 120 TYR N N 120 120.253 120.253 119.440 0.813 25437 10524 1 17 . 1 1 120 120 TYR HA H 120 6.088 6.088 4.471 1.617 25437 10525 1 17 . 1 1 120 120 TYR CA C 120 56.003 56.003 57.746 -1.743 25437 10526 1 17 . 1 1 120 120 TYR CB C 120 40.371 40.371 38.074 2.297 25437 10527 1 17 . 1 1 120 120 TYR H H 120 6.801 6.801 8.337 -1.536 25437 10528 1 17 . 1 1 121 121 HIS HA H 121 4.537 4.537 4.343 0.194 25437 10529 1 17 . 1 1 121 121 HIS CA C 121 59.002 59.002 57.325 1.677 25437 10530 1 17 . 1 1 121 121 HIS CB C 121 27.950 27.950 29.546 -1.596 25437 10531 1 17 . 1 1 122 122 ASP N N 122 111.622 111.622 118.791 -7.169 25437 10532 1 17 . 1 1 122 122 ASP HA H 122 4.815 4.815 4.541 0.274 25437 10533 1 17 . 1 1 122 122 ASP CA C 122 51.612 51.612 54.752 -3.140 25437 10534 1 17 . 1 1 122 122 ASP CB C 122 36.980 36.980 40.078 -3.098 25437 10535 1 17 . 1 1 122 122 ASP H H 122 8.154 8.154 7.977 0.177 25437 10536 1 17 . 1 1 124 124 ILE N N 124 119.763 119.763 111.351 8.412 25437 10537 1 17 . 1 1 124 124 ILE HA H 124 3.843 3.843 3.786 0.057 25437 10538 1 17 . 1 1 124 124 ILE CA C 124 64.714 64.714 62.832 1.882 25437 10539 1 17 . 1 1 124 124 ILE CB C 124 36.859 36.859 37.469 -0.610 25437 10540 1 17 . 1 1 124 124 ILE H H 124 7.639 7.639 8.022 -0.383 25437 10541 1 17 . 1 1 125 125 LYS N N 125 121.010 121.010 119.219 1.791 25437 10542 1 17 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.065 0.044 25437 10543 1 17 . 1 1 125 125 LYS CA C 125 59.241 59.241 59.175 0.066 25437 10544 1 17 . 1 1 125 125 LYS CB C 125 31.985 31.985 32.171 -0.186 25437 10545 1 17 . 1 1 125 125 LYS H H 125 7.739 7.739 8.295 -0.556 25437 10546 1 17 . 1 1 126 126 ARG N N 126 115.276 115.276 115.780 -0.504 25437 10547 1 17 . 1 1 126 126 ARG HA H 126 4.338 4.338 4.489 -0.151 25437 10548 1 17 . 1 1 126 126 ARG CA C 126 57.189 57.189 56.054 1.135 25437 10549 1 17 . 1 1 126 126 ARG CB C 126 31.015 31.015 31.591 -0.576 25437 10550 1 17 . 1 1 126 126 ARG H H 126 7.904 7.904 7.706 0.198 25437 10551 1 17 . 1 1 127 127 GLY N N 127 107.767 107.767 109.921 -2.154 25437 10552 1 17 . 1 1 127 127 GLY CA C 127 45.822 45.822 46.039 -0.217 25437 10553 1 17 . 1 1 127 127 GLY H H 127 7.912 7.912 8.555 -0.643 25437 10554 1 17 . 1 1 128 128 THR N N 128 107.570 107.570 113.726 -6.156 25437 10555 1 17 . 1 1 128 128 THR HA H 128 4.252 4.252 4.795 -0.543 25437 10556 1 17 . 1 1 128 128 THR CA C 128 60.620 60.620 59.418 1.202 25437 10557 1 17 . 1 1 128 128 THR CB C 128 69.224 69.224 70.591 -1.367 25437 10558 1 17 . 1 1 128 128 THR H H 128 8.121 8.121 7.426 0.695 25437 10559 1 17 . 1 1 129 129 TYR N N 129 123.143 123.143 125.455 -2.312 25437 10560 1 17 . 1 1 129 129 TYR HA H 129 4.173 4.173 4.688 -0.515 25437 10561 1 17 . 1 1 129 129 TYR CA C 129 61.448 61.448 60.220 1.228 25437 10562 1 17 . 1 1 129 129 TYR CB C 129 38.796 38.796 38.912 -0.116 25437 10563 1 17 . 1 1 129 129 TYR H H 129 7.209 7.209 8.820 -1.611 25437 10564 1 17 . 1 1 130 130 ASP N N 130 117.930 117.930 116.487 1.443 25437 10565 1 17 . 1 1 130 130 ASP HA H 130 4.641 4.641 4.296 0.345 25437 10566 1 17 . 1 1 130 130 ASP CA C 130 53.440 53.440 55.186 -1.746 25437 10567 1 17 . 1 1 130 130 ASP CB C 130 43.221 43.221 40.142 3.079 25437 10568 1 17 . 1 1 130 130 ASP H H 130 8.216 8.216 7.954 0.262 25437 10569 1 17 . 1 1 132 132 GLY N N 132 107.481 107.481 110.242 -2.761 25437 10570 1 17 . 1 1 132 132 GLY CA C 132 44.013 44.013 44.161 -0.148 25437 10571 1 17 . 1 1 132 132 GLY H H 132 8.304 8.304 7.945 0.359 25437 10572 1 17 . 1 1 133 133 HIS N N 133 117.609 117.609 120.586 -2.977 25437 10573 1 17 . 1 1 133 133 HIS HA H 133 5.430 5.430 5.442 -0.012 25437 10574 1 17 . 1 1 133 133 HIS CA C 133 57.155 57.155 55.235 1.920 25437 10575 1 17 . 1 1 133 133 HIS CB C 133 31.667 31.667 33.771 -2.104 25437 10576 1 17 . 1 1 133 133 HIS H H 133 6.942 6.942 7.613 -0.671 25437 10577 1 17 . 1 1 134 134 VAL N N 134 133.201 133.201 119.591 13.610 25437 10578 1 17 . 1 1 134 134 VAL HA H 134 4.254 4.254 4.951 -0.697 25437 10579 1 17 . 1 1 134 134 VAL CA C 134 61.676 61.676 60.373 1.303 25437 10580 1 17 . 1 1 134 134 VAL CB C 134 34.775 34.775 35.108 -0.333 25437 10581 1 17 . 1 1 134 134 VAL H H 134 9.127 9.127 8.521 0.606 25437 10582 1 17 . 1 1 135 135 GLU N N 135 119.904 119.904 124.470 -4.566 25437 10583 1 17 . 1 1 135 135 GLU HA H 135 5.458 5.458 5.026 0.432 25437 10584 1 17 . 1 1 135 135 GLU CA C 135 52.126 52.126 52.876 -0.750 25437 10585 1 17 . 1 1 135 135 GLU CB C 135 34.550 34.550 32.669 1.881 25437 10586 1 17 . 1 1 135 135 GLU H H 135 8.501 8.501 8.046 0.455 25437 10587 1 17 . 1 1 136 136 LEU N N 136 119.357 119.357 122.743 -3.386 25437 10588 1 17 . 1 1 136 136 LEU HA H 136 4.432 4.432 4.600 -0.168 25437 10589 1 17 . 1 1 136 136 LEU CA C 136 54.772 54.772 54.361 0.411 25437 10590 1 17 . 1 1 136 136 LEU CB C 136 42.524 42.524 40.749 1.775 25437 10591 1 17 . 1 1 136 136 LEU H H 136 8.280 8.280 7.916 0.364 25437 10592 1 18 . 1 1 3 3 PHE N N 3 121.785 121.785 122.601 -0.816 25437 10593 1 18 . 1 1 3 3 PHE HA H 3 4.792 4.792 4.280 0.512 25437 10594 1 18 . 1 1 3 3 PHE CA C 3 56.407 56.407 58.774 -2.367 25437 10595 1 18 . 1 1 3 3 PHE CB C 3 40.111 40.111 39.720 0.391 25437 10596 1 18 . 1 1 3 3 PHE H H 3 8.534 8.534 7.717 0.817 25437 10597 1 18 . 1 1 4 4 LYS N N 4 119.409 119.409 122.768 -3.359 25437 10598 1 18 . 1 1 4 4 LYS HA H 4 4.452 4.452 4.103 0.349 25437 10599 1 18 . 1 1 4 4 LYS CA C 4 54.774 54.774 53.974 0.800 25437 10600 1 18 . 1 1 4 4 LYS CB C 4 35.710 35.710 35.604 0.106 25437 10601 1 18 . 1 1 4 4 LYS H H 4 8.367 8.367 7.314 1.053 25437 10602 1 18 . 1 1 5 5 PHE N N 5 124.495 124.495 120.516 3.979 25437 10603 1 18 . 1 1 5 5 PHE HA H 5 4.873 4.873 4.440 0.433 25437 10604 1 18 . 1 1 5 5 PHE CA C 5 58.636 58.636 57.389 1.247 25437 10605 1 18 . 1 1 5 5 PHE CB C 5 39.217 39.217 37.992 1.225 25437 10606 1 18 . 1 1 5 5 PHE H H 5 8.603 8.603 7.880 0.723 25437 10607 1 18 . 1 1 6 6 GLY N N 6 108.622 108.622 112.376 -3.754 25437 10608 1 18 . 1 1 6 6 GLY CA C 6 43.819 43.819 44.597 -0.778 25437 10609 1 18 . 1 1 6 6 GLY H H 6 8.559 8.559 8.203 0.356 25437 10610 1 18 . 1 1 7 7 LYS N N 7 119.341 119.341 120.450 -1.109 25437 10611 1 18 . 1 1 7 7 LYS HA H 7 3.958 3.958 4.019 -0.061 25437 10612 1 18 . 1 1 7 7 LYS CA C 7 60.087 60.087 59.696 0.391 25437 10613 1 18 . 1 1 7 7 LYS CB C 7 32.399 32.399 32.365 0.034 25437 10614 1 18 . 1 1 7 7 LYS H H 7 8.692 8.692 8.572 0.120 25437 10615 1 18 . 1 1 8 8 ASN N N 8 118.555 118.555 116.805 1.750 25437 10616 1 18 . 1 1 8 8 ASN HA H 8 4.551 4.551 4.634 -0.083 25437 10617 1 18 . 1 1 8 8 ASN CA C 8 56.776 56.776 55.786 0.990 25437 10618 1 18 . 1 1 8 8 ASN CB C 8 36.961 36.961 37.883 -0.923 25437 10619 1 18 . 1 1 8 8 ASN H H 8 9.185 9.185 8.619 0.566 25437 10620 1 18 . 1 1 9 9 SER N N 9 118.632 118.632 117.290 1.342 25437 10621 1 18 . 1 1 9 9 SER HA H 9 4.283 4.283 4.153 0.130 25437 10622 1 18 . 1 1 9 9 SER CA C 9 62.790 62.790 62.069 0.721 25437 10623 1 18 . 1 1 9 9 SER CB C 9 62.790 62.790 62.611 0.179 25437 10624 1 18 . 1 1 9 9 SER H H 9 8.076 8.076 8.174 -0.098 25437 10625 1 18 . 1 1 10 10 GLU N N 10 120.882 120.882 120.713 0.169 25437 10626 1 18 . 1 1 10 10 GLU HA H 10 3.977 3.977 3.985 -0.008 25437 10627 1 18 . 1 1 10 10 GLU CA C 10 59.409 59.409 59.268 0.141 25437 10628 1 18 . 1 1 10 10 GLU CB C 10 28.556 28.556 29.388 -0.832 25437 10629 1 18 . 1 1 10 10 GLU H H 10 8.351 8.351 8.347 0.004 25437 10630 1 18 . 1 1 11 11 LYS N N 11 120.030 120.030 117.795 2.235 25437 10631 1 18 . 1 1 11 11 LYS HA H 11 4.056 4.056 4.131 -0.075 25437 10632 1 18 . 1 1 11 11 LYS CA C 11 59.477 59.477 58.748 0.729 25437 10633 1 18 . 1 1 11 11 LYS CB C 11 32.032 32.032 32.117 -0.085 25437 10634 1 18 . 1 1 11 11 LYS H H 11 7.937 7.937 7.425 0.512 25437 10635 1 18 . 1 1 12 12 GLN N N 12 114.749 114.749 119.365 -4.616 25437 10636 1 18 . 1 1 12 12 GLN HA H 12 4.147 4.147 4.071 0.076 25437 10637 1 18 . 1 1 12 12 GLN CA C 12 57.373 57.373 58.955 -1.582 25437 10638 1 18 . 1 1 12 12 GLN CB C 12 28.511 28.511 28.826 -0.315 25437 10639 1 18 . 1 1 12 12 GLN H H 12 7.562 7.562 8.053 -0.491 25437 10640 1 18 . 1 1 13 13 LEU N N 13 121.751 121.751 118.557 3.194 25437 10641 1 18 . 1 1 13 13 LEU HA H 13 3.880 3.880 4.253 -0.373 25437 10642 1 18 . 1 1 13 13 LEU CA C 13 57.080 57.080 56.423 0.657 25437 10643 1 18 . 1 1 13 13 LEU CB C 13 42.413 42.413 40.408 2.005 25437 10644 1 18 . 1 1 13 13 LEU H H 13 8.725 8.725 8.172 0.553 25437 10645 1 18 . 1 1 14 14 ALA N N 14 116.323 116.323 119.661 -3.338 25437 10646 1 18 . 1 1 14 14 ALA HA H 14 4.070 4.070 4.425 -0.355 25437 10647 1 18 . 1 1 14 14 ALA CA C 14 53.706 53.706 53.788 -0.082 25437 10648 1 18 . 1 1 14 14 ALA CB C 14 18.020 18.020 19.021 -1.001 25437 10649 1 18 . 1 1 14 14 ALA H H 14 7.574 7.574 7.522 0.052 25437 10650 1 18 . 1 1 15 15 THR N N 15 104.034 104.034 109.739 -5.705 25437 10651 1 18 . 1 1 15 15 THR HA H 15 4.431 4.431 4.410 0.021 25437 10652 1 18 . 1 1 15 15 THR CA C 15 62.381 62.381 61.269 1.112 25437 10653 1 18 . 1 1 15 15 THR CB C 15 70.327 70.327 69.319 1.008 25437 10654 1 18 . 1 1 15 15 THR H H 15 7.326 7.326 7.269 0.057 25437 10655 1 18 . 1 1 16 16 VAL N N 16 112.438 112.438 121.350 -8.912 25437 10656 1 18 . 1 1 16 16 VAL HA H 16 4.922 4.922 3.948 0.974 25437 10657 1 18 . 1 1 16 16 VAL CA C 16 59.661 59.661 62.974 -3.313 25437 10658 1 18 . 1 1 16 16 VAL CB C 16 32.989 32.989 33.095 -0.106 25437 10659 1 18 . 1 1 16 16 VAL H H 16 7.164 7.164 7.323 -0.159 25437 10660 1 18 . 1 1 17 17 LYS N N 17 120.729 120.729 128.596 -7.867 25437 10661 1 18 . 1 1 17 17 LYS HA H 17 4.230 4.230 4.373 -0.143 25437 10662 1 18 . 1 1 17 17 LYS CA C 17 55.486 55.486 57.464 -1.978 25437 10663 1 18 . 1 1 17 17 LYS CB C 17 32.079 32.079 30.376 1.703 25437 10664 1 18 . 1 1 17 17 LYS H H 17 8.907 8.907 8.782 0.125 25437 10665 1 18 . 1 1 18 18 PRO HA H 18 4.130 4.130 4.502 -0.372 25437 10666 1 18 . 1 1 18 18 PRO CA C 18 65.813 65.813 63.028 2.785 25437 10667 1 18 . 1 1 18 18 PRO CB C 18 31.864 31.864 31.933 -0.069 25437 10668 1 18 . 1 1 19 19 GLU N N 19 117.608 117.608 117.917 -0.309 25437 10669 1 18 . 1 1 19 19 GLU HA H 19 4.011 4.011 4.438 -0.427 25437 10670 1 18 . 1 1 19 19 GLU CA C 19 61.031 61.031 56.417 4.614 25437 10671 1 18 . 1 1 19 19 GLU CB C 19 29.117 29.117 29.122 -0.005 25437 10672 1 18 . 1 1 19 19 GLU H H 19 9.714 9.714 8.688 1.026 25437 10673 1 18 . 1 1 20 20 LEU N N 20 117.938 117.938 118.704 -0.766 25437 10674 1 18 . 1 1 20 20 LEU HA H 20 4.258 4.258 4.000 0.258 25437 10675 1 18 . 1 1 20 20 LEU CA C 20 56.261 56.261 58.264 -2.003 25437 10676 1 18 . 1 1 20 20 LEU CB C 20 41.894 41.894 40.842 1.052 25437 10677 1 18 . 1 1 20 20 LEU H H 20 7.188 7.188 7.871 -0.683 25437 10678 1 18 . 1 1 21 21 GLN N N 21 118.367 118.367 118.028 0.339 25437 10679 1 18 . 1 1 21 21 GLN HA H 21 3.831 3.831 3.954 -0.123 25437 10680 1 18 . 1 1 21 21 GLN CA C 21 60.100 60.100 58.547 1.553 25437 10681 1 18 . 1 1 21 21 GLN CB C 21 27.745 27.745 27.663 0.082 25437 10682 1 18 . 1 1 21 21 GLN H H 21 7.805 7.805 8.587 -0.782 25437 10683 1 18 . 1 1 22 22 LYS N N 22 116.715 116.715 120.082 -3.367 25437 10684 1 18 . 1 1 22 22 LYS HA H 22 3.962 3.962 3.978 -0.016 25437 10685 1 18 . 1 1 22 22 LYS CA C 22 59.816 59.816 59.436 0.380 25437 10686 1 18 . 1 1 22 22 LYS CB C 22 32.520 32.520 32.035 0.485 25437 10687 1 18 . 1 1 22 22 LYS H H 22 8.143 8.143 7.793 0.350 25437 10688 1 18 . 1 1 23 23 VAL N N 23 118.397 118.397 119.384 -0.987 25437 10689 1 18 . 1 1 23 23 VAL HA H 23 3.591 3.591 3.593 -0.002 25437 10690 1 18 . 1 1 23 23 VAL CA C 23 66.313 66.313 66.116 0.197 25437 10691 1 18 . 1 1 23 23 VAL CB C 23 31.529 31.529 31.270 0.259 25437 10692 1 18 . 1 1 23 23 VAL H H 23 7.715 7.715 7.570 0.145 25437 10693 1 18 . 1 1 24 24 ALA N N 24 121.929 121.929 121.840 0.089 25437 10694 1 18 . 1 1 24 24 ALA HA H 24 4.024 4.024 3.344 0.680 25437 10695 1 18 . 1 1 24 24 ALA CA C 24 55.444 55.444 55.325 0.119 25437 10696 1 18 . 1 1 24 24 ALA CB C 24 18.086 18.086 18.406 -0.320 25437 10697 1 18 . 1 1 24 24 ALA H H 24 8.307 8.307 7.425 0.882 25437 10698 1 18 . 1 1 25 25 ARG N N 25 114.491 114.491 118.346 -3.855 25437 10699 1 18 . 1 1 25 25 ARG HA H 25 4.114 4.114 4.157 -0.043 25437 10700 1 18 . 1 1 25 25 ARG CA C 25 60.717 60.717 59.957 0.760 25437 10701 1 18 . 1 1 25 25 ARG CB C 25 29.257 29.257 30.173 -0.916 25437 10702 1 18 . 1 1 25 25 ARG H H 25 8.224 8.224 8.317 -0.093 25437 10703 1 18 . 1 1 26 26 ARG N N 26 119.944 119.944 118.982 0.962 25437 10704 1 18 . 1 1 26 26 ARG HA H 26 4.223 4.223 4.000 0.223 25437 10705 1 18 . 1 1 26 26 ARG CA C 26 57.097 57.097 59.125 -2.028 25437 10706 1 18 . 1 1 26 26 ARG CB C 26 28.888 28.888 30.072 -1.184 25437 10707 1 18 . 1 1 26 26 ARG H H 26 7.703 7.703 8.111 -0.408 25437 10708 1 18 . 1 1 27 27 ALA N N 27 122.041 122.041 123.119 -1.078 25437 10709 1 18 . 1 1 27 27 ALA HA H 27 3.611 3.611 3.964 -0.353 25437 10710 1 18 . 1 1 27 27 ALA CA C 27 55.249 55.249 55.012 0.237 25437 10711 1 18 . 1 1 27 27 ALA CB C 27 15.829 15.829 17.738 -1.909 25437 10712 1 18 . 1 1 27 27 ALA H H 27 8.754 8.754 8.313 0.441 25437 10713 1 18 . 1 1 28 28 LEU N N 28 117.421 117.421 118.355 -0.934 25437 10714 1 18 . 1 1 28 28 LEU HA H 28 4.053 4.053 4.190 -0.137 25437 10715 1 18 . 1 1 28 28 LEU CA C 28 57.757 57.757 58.200 -0.443 25437 10716 1 18 . 1 1 28 28 LEU CB C 28 40.351 40.351 42.010 -1.659 25437 10717 1 18 . 1 1 28 28 LEU H H 28 7.657 7.657 8.013 -0.356 25437 10718 1 18 . 1 1 29 29 GLU N N 29 114.911 114.911 117.802 -2.891 25437 10719 1 18 . 1 1 29 29 GLU HA H 29 4.023 4.023 4.134 -0.111 25437 10720 1 18 . 1 1 29 29 GLU CA C 29 58.489 58.489 58.068 0.421 25437 10721 1 18 . 1 1 29 29 GLU CB C 29 29.540 29.540 30.119 -0.579 25437 10722 1 18 . 1 1 29 29 GLU H H 29 7.039 7.039 7.447 -0.408 25437 10723 1 18 . 1 1 30 30 LEU N N 30 117.166 117.166 118.894 -1.728 25437 10724 1 18 . 1 1 30 30 LEU HA H 30 4.281 4.281 3.995 0.286 25437 10725 1 18 . 1 1 30 30 LEU CA C 30 55.266 55.266 56.731 -1.466 25437 10726 1 18 . 1 1 30 30 LEU CB C 30 44.403 44.403 42.335 2.068 25437 10727 1 18 . 1 1 30 30 LEU H H 30 7.353 7.353 8.157 -0.804 25437 10728 1 18 . 1 1 31 31 SER N N 31 116.260 116.260 114.446 1.814 25437 10729 1 18 . 1 1 31 31 SER HA H 31 4.557 4.557 4.251 0.306 25437 10730 1 18 . 1 1 31 31 SER CA C 31 55.723 55.723 57.354 -1.631 25437 10731 1 18 . 1 1 31 31 SER CB C 31 65.560 65.560 64.108 1.452 25437 10732 1 18 . 1 1 31 31 SER H H 31 7.742 7.742 7.900 -0.158 25437 10733 1 18 . 1 1 32 32 PRO HA H 32 4.609 4.609 4.228 0.381 25437 10734 1 18 . 1 1 32 32 PRO CA C 32 63.483 63.483 63.855 -0.372 25437 10735 1 18 . 1 1 32 32 PRO CB C 32 31.236 31.236 31.553 -0.317 25437 10736 1 18 . 1 1 33 33 TYR N N 33 114.714 114.714 117.994 -3.280 25437 10737 1 18 . 1 1 33 33 TYR HA H 33 4.710 4.710 4.721 -0.011 25437 10738 1 18 . 1 1 33 33 TYR CA C 33 56.742 56.742 54.683 2.059 25437 10739 1 18 . 1 1 33 33 TYR CB C 33 41.506 41.506 39.657 1.849 25437 10740 1 18 . 1 1 33 33 TYR H H 33 7.727 7.727 7.169 0.558 25437 10741 1 18 . 1 1 34 34 ASP N N 34 125.197 125.197 118.868 6.329 25437 10742 1 18 . 1 1 34 34 ASP HA H 34 3.524 3.524 4.582 -1.058 25437 10743 1 18 . 1 1 34 34 ASP CA C 34 52.353 52.353 54.352 -1.999 25437 10744 1 18 . 1 1 34 34 ASP CB C 34 37.720 37.720 41.940 -4.220 25437 10745 1 18 . 1 1 34 34 ASP H H 34 8.630 8.630 8.666 -0.036 25437 10746 1 18 . 1 1 35 35 PHE N N 35 115.803 115.803 113.304 2.499 25437 10747 1 18 . 1 1 35 35 PHE HA H 35 5.131 5.131 5.569 -0.438 25437 10748 1 18 . 1 1 35 35 PHE CA C 35 55.839 55.839 56.337 -0.498 25437 10749 1 18 . 1 1 35 35 PHE CB C 35 40.751 40.751 42.924 -2.173 25437 10750 1 18 . 1 1 35 35 PHE H H 35 7.250 7.250 8.045 -0.795 25437 10751 1 18 . 1 1 36 36 THR N N 36 113.338 113.338 117.021 -3.683 25437 10752 1 18 . 1 1 36 36 THR HA H 36 4.769 4.769 4.482 0.287 25437 10753 1 18 . 1 1 36 36 THR CA C 36 58.833 58.833 59.539 -0.706 25437 10754 1 18 . 1 1 36 36 THR CB C 36 71.387 71.387 70.038 1.349 25437 10755 1 18 . 1 1 36 36 THR H H 36 9.026 9.026 9.033 -0.007 25437 10756 1 18 . 1 1 37 37 ILE N N 37 124.219 124.219 128.655 -4.436 25437 10757 1 18 . 1 1 37 37 ILE HA H 37 4.676 4.676 4.284 0.392 25437 10758 1 18 . 1 1 37 37 ILE CA C 37 58.395 58.395 62.126 -3.731 25437 10759 1 18 . 1 1 37 37 ILE CB C 37 34.649 34.649 37.791 -3.142 25437 10760 1 18 . 1 1 37 37 ILE H H 37 8.476 8.476 8.968 -0.492 25437 10761 1 18 . 1 1 38 38 VAL N N 38 124.271 124.271 125.708 -1.437 25437 10762 1 18 . 1 1 38 38 VAL HA H 38 3.981 3.981 4.224 -0.243 25437 10763 1 18 . 1 1 38 38 VAL CA C 38 63.144 63.144 62.821 0.323 25437 10764 1 18 . 1 1 38 38 VAL CB C 38 32.658 32.658 33.080 -0.422 25437 10765 1 18 . 1 1 38 38 VAL H H 38 8.640 8.640 8.568 0.072 25437 10766 1 18 . 1 1 39 39 GLN N N 39 115.210 115.210 116.283 -1.073 25437 10767 1 18 . 1 1 39 39 GLN HA H 39 4.378 4.378 4.911 -0.533 25437 10768 1 18 . 1 1 39 39 GLN CA C 39 56.197 56.197 54.916 1.281 25437 10769 1 18 . 1 1 39 39 GLN CB C 39 33.463 33.463 32.256 1.207 25437 10770 1 18 . 1 1 39 39 GLN H H 39 7.305 7.305 7.822 -0.517 25437 10771 1 18 . 1 1 40 40 GLY N N 40 116.022 116.022 111.003 5.019 25437 10772 1 18 . 1 1 40 40 GLY CA C 40 45.347 45.347 45.698 -0.351 25437 10773 1 18 . 1 1 40 40 GLY H H 40 8.851 8.851 8.365 0.486 25437 10774 1 18 . 1 1 41 41 ILE N N 41 132.358 132.358 120.856 11.502 25437 10775 1 18 . 1 1 41 41 ILE HA H 41 4.715 4.715 4.475 0.240 25437 10776 1 18 . 1 1 41 41 ILE CA C 41 61.575 61.575 59.132 2.443 25437 10777 1 18 . 1 1 41 41 ILE CB C 41 38.774 38.774 41.454 -2.680 25437 10778 1 18 . 1 1 41 41 ILE H H 41 8.776 8.776 8.040 0.736 25437 10779 1 18 . 1 1 42 42 ARG N N 42 123.358 123.358 127.503 -4.145 25437 10780 1 18 . 1 1 42 42 ARG HA H 42 4.725 4.725 4.498 0.227 25437 10781 1 18 . 1 1 42 42 ARG CA C 42 54.576 54.576 55.631 -1.055 25437 10782 1 18 . 1 1 42 42 ARG CB C 42 33.425 33.425 31.244 2.181 25437 10783 1 18 . 1 1 42 42 ARG H H 42 7.154 7.154 8.551 -1.397 25437 10784 1 18 . 1 1 43 43 THR N N 43 115.494 115.494 118.072 -2.578 25437 10785 1 18 . 1 1 43 43 THR HA H 43 4.539 4.539 4.322 0.217 25437 10786 1 18 . 1 1 43 43 THR CA C 43 61.022 61.022 61.283 -0.261 25437 10787 1 18 . 1 1 43 43 THR CB C 43 70.577 70.577 69.416 1.161 25437 10788 1 18 . 1 1 43 43 THR H H 43 8.519 8.519 8.443 0.076 25437 10789 1 18 . 1 1 44 44 VAL N N 44 121.526 121.526 115.358 6.168 25437 10790 1 18 . 1 1 44 44 VAL HA H 44 3.956 3.956 4.260 -0.304 25437 10791 1 18 . 1 1 44 44 VAL CA C 44 63.977 63.977 63.961 0.016 25437 10792 1 18 . 1 1 44 44 VAL CB C 44 32.313 32.313 31.660 0.653 25437 10793 1 18 . 1 1 44 44 VAL H H 44 8.516 8.516 8.196 0.320 25437 10794 1 18 . 1 1 45 45 ALA N N 45 125.457 125.457 121.162 4.295 25437 10795 1 18 . 1 1 45 45 ALA HA H 45 4.260 4.260 4.508 -0.248 25437 10796 1 18 . 1 1 45 45 ALA CA C 45 53.278 53.278 53.400 -0.122 25437 10797 1 18 . 1 1 45 45 ALA CB C 45 18.641 18.641 19.246 -0.605 25437 10798 1 18 . 1 1 45 45 ALA H H 45 8.311 8.311 7.912 0.399 25437 10799 1 18 . 1 1 46 46 GLN N N 46 118.271 118.271 120.068 -1.797 25437 10800 1 18 . 1 1 46 46 GLN HA H 46 4.232 4.232 4.063 0.169 25437 10801 1 18 . 1 1 46 46 GLN CA C 46 56.717 56.717 58.269 -1.552 25437 10802 1 18 . 1 1 46 46 GLN CB C 46 28.901 28.901 28.606 0.295 25437 10803 1 18 . 1 1 46 46 GLN H H 46 8.109 8.109 8.012 0.097 25437 10804 1 18 . 1 1 47 47 SER N N 47 116.127 116.127 114.231 1.896 25437 10805 1 18 . 1 1 47 47 SER HA H 47 4.361 4.361 4.080 0.281 25437 10806 1 18 . 1 1 47 47 SER CA C 47 59.082 59.082 60.301 -1.219 25437 10807 1 18 . 1 1 47 47 SER CB C 47 64.009 64.009 63.049 0.960 25437 10808 1 18 . 1 1 47 47 SER H H 47 8.199 8.199 8.031 0.168 25437 10809 1 18 . 1 1 48 48 ALA N N 48 124.628 124.628 122.238 2.390 25437 10810 1 18 . 1 1 48 48 ALA HA H 48 4.253 4.253 4.339 -0.086 25437 10811 1 18 . 1 1 48 48 ALA CA C 48 53.325 53.325 53.516 -0.191 25437 10812 1 18 . 1 1 48 48 ALA CB C 48 18.552 18.552 19.136 -0.584 25437 10813 1 18 . 1 1 48 48 ALA H H 48 8.315 8.315 8.169 0.146 25437 10814 1 18 . 1 1 49 49 GLN N N 49 119.160 119.160 118.028 1.132 25437 10815 1 18 . 1 1 49 49 GLN HA H 49 4.232 4.232 4.248 -0.016 25437 10816 1 18 . 1 1 49 49 GLN CA C 49 56.850 56.850 56.552 0.298 25437 10817 1 18 . 1 1 49 49 GLN CB C 49 28.992 28.992 28.643 0.349 25437 10818 1 18 . 1 1 49 49 GLN H H 49 8.153 8.153 7.899 0.254 25437 10819 1 18 . 1 1 50 50 ASN N N 50 119.112 119.112 119.796 -0.684 25437 10820 1 18 . 1 1 50 50 ASN HA H 50 4.660 4.660 4.420 0.240 25437 10821 1 18 . 1 1 50 50 ASN CA C 50 53.572 53.572 56.508 -2.936 25437 10822 1 18 . 1 1 50 50 ASN CB C 50 38.376 38.376 38.378 -0.002 25437 10823 1 18 . 1 1 50 50 ASN H H 50 8.205 8.205 8.225 -0.020 25437 10824 1 18 . 1 1 51 51 ILE N N 51 120.639 120.639 117.314 3.325 25437 10825 1 18 . 1 1 51 51 ILE HA H 51 4.095 4.095 4.185 -0.090 25437 10826 1 18 . 1 1 51 51 ILE CA C 51 61.954 61.954 62.154 -0.200 25437 10827 1 18 . 1 1 51 51 ILE CB C 51 38.414 38.414 36.251 2.163 25437 10828 1 18 . 1 1 51 51 ILE H H 51 7.939 7.939 7.369 0.570 25437 10829 1 18 . 1 1 52 52 ALA N N 52 126.459 126.459 123.258 3.201 25437 10830 1 18 . 1 1 52 52 ALA HA H 52 4.246 4.246 4.044 0.202 25437 10831 1 18 . 1 1 52 52 ALA CA C 52 53.189 53.189 54.315 -1.126 25437 10832 1 18 . 1 1 52 52 ALA CB C 52 18.453 18.453 18.253 0.200 25437 10833 1 18 . 1 1 52 52 ALA H H 52 8.251 8.251 8.226 0.025 25437 10834 1 18 . 1 1 53 53 ASN N N 53 116.801 116.801 116.466 0.335 25437 10835 1 18 . 1 1 53 53 ASN HA H 53 4.648 4.648 4.553 0.095 25437 10836 1 18 . 1 1 53 53 ASN CA C 53 53.425 53.425 54.707 -1.282 25437 10837 1 18 . 1 1 53 53 ASN CB C 53 38.600 38.600 39.068 -0.468 25437 10838 1 18 . 1 1 53 53 ASN H H 53 8.230 8.230 7.698 0.532 25437 10839 1 18 . 1 1 54 54 GLY N N 54 108.549 108.549 107.102 1.447 25437 10840 1 18 . 1 1 54 54 GLY CA C 54 45.746 45.746 44.698 1.048 25437 10841 1 18 . 1 1 54 54 GLY H H 54 8.191 8.191 7.727 0.464 25437 10842 1 18 . 1 1 55 55 THR N N 55 112.528 112.528 112.505 0.023 25437 10843 1 18 . 1 1 55 55 THR HA H 55 4.282 4.282 4.379 -0.097 25437 10844 1 18 . 1 1 55 55 THR CA C 55 62.118 62.118 60.777 1.341 25437 10845 1 18 . 1 1 55 55 THR CB C 55 69.796 69.796 70.428 -0.632 25437 10846 1 18 . 1 1 55 55 THR H H 55 8.003 8.003 7.508 0.495 25437 10847 1 18 . 1 1 56 56 SER N N 56 116.986 116.986 119.248 -2.262 25437 10848 1 18 . 1 1 56 56 SER HA H 56 4.362 4.362 4.374 -0.012 25437 10849 1 18 . 1 1 56 56 SER CA C 56 58.454 58.454 59.574 -1.120 25437 10850 1 18 . 1 1 56 56 SER CB C 56 63.762 63.762 63.262 0.500 25437 10851 1 18 . 1 1 56 56 SER H H 56 8.043 8.043 8.683 -0.640 25437 10852 1 18 . 1 1 57 57 PHE N N 57 121.981 121.981 119.343 2.638 25437 10853 1 18 . 1 1 57 57 PHE HA H 57 4.579 4.579 4.564 0.015 25437 10854 1 18 . 1 1 57 57 PHE CA C 57 57.929 57.929 58.815 -0.885 25437 10855 1 18 . 1 1 57 57 PHE CB C 57 39.068 39.068 38.041 1.026 25437 10856 1 18 . 1 1 57 57 PHE H H 57 8.120 8.120 7.590 0.530 25437 10857 1 18 . 1 1 58 58 LEU N N 58 121.621 121.621 122.140 -0.519 25437 10858 1 18 . 1 1 58 58 LEU HA H 58 4.174 4.174 4.460 -0.286 25437 10859 1 18 . 1 1 58 58 LEU CA C 58 55.350 55.350 53.810 1.540 25437 10860 1 18 . 1 1 58 58 LEU CB C 58 42.340 42.340 41.275 1.065 25437 10861 1 18 . 1 1 58 58 LEU H H 58 7.806 7.806 6.896 0.910 25437 10862 1 18 . 1 1 59 59 LYS N N 59 120.388 120.388 119.604 0.784 25437 10863 1 18 . 1 1 59 59 LYS HA H 59 4.230 4.230 4.089 0.141 25437 10864 1 18 . 1 1 59 59 LYS CA C 59 55.823 55.823 56.956 -1.133 25437 10865 1 18 . 1 1 59 59 LYS CB C 59 32.616 32.616 31.600 1.016 25437 10866 1 18 . 1 1 59 59 LYS H H 59 8.068 8.068 7.640 0.428 25437 10867 1 18 . 1 1 60 60 ASP N N 60 121.094 121.094 122.878 -1.784 25437 10868 1 18 . 1 1 60 60 ASP HA H 60 4.828 4.828 4.817 0.011 25437 10869 1 18 . 1 1 60 60 ASP CA C 60 53.698 53.698 52.909 0.789 25437 10870 1 18 . 1 1 60 60 ASP CB C 60 41.652 41.652 41.856 -0.204 25437 10871 1 18 . 1 1 60 60 ASP H H 60 7.959 7.959 8.072 -0.113 25437 10872 1 18 . 1 1 61 61 PRO HA H 61 4.388 4.388 4.545 -0.157 25437 10873 1 18 . 1 1 61 61 PRO CA C 61 63.263 63.263 62.918 0.345 25437 10874 1 18 . 1 1 61 61 PRO CB C 61 31.697 31.697 30.509 1.188 25437 10875 1 18 . 1 1 62 62 SER N N 62 115.353 115.353 116.210 -0.857 25437 10876 1 18 . 1 1 62 62 SER HA H 62 4.365 4.365 4.550 -0.185 25437 10877 1 18 . 1 1 62 62 SER CA C 62 59.258 59.258 57.502 1.756 25437 10878 1 18 . 1 1 62 62 SER CB C 62 63.634 63.634 64.245 -0.611 25437 10879 1 18 . 1 1 62 62 SER H H 62 8.420 8.420 8.335 0.085 25437 10880 1 18 . 1 1 63 63 LYS N N 63 122.360 122.360 120.587 1.773 25437 10881 1 18 . 1 1 63 63 LYS HA H 63 4.266 4.266 4.185 0.081 25437 10882 1 18 . 1 1 63 63 LYS CA C 63 56.628 56.628 57.941 -1.313 25437 10883 1 18 . 1 1 63 63 LYS CB C 63 29.327 29.327 32.257 -2.930 25437 10884 1 18 . 1 1 63 63 LYS H H 63 8.405 8.405 8.130 0.275 25437 10885 1 18 . 1 1 65 65 LYS N N 65 125.418 125.418 120.867 4.551 25437 10886 1 18 . 1 1 65 65 LYS HA H 65 4.146 4.146 4.561 -0.415 25437 10887 1 18 . 1 1 65 65 LYS CA C 65 63.350 63.350 56.018 7.332 25437 10888 1 18 . 1 1 65 65 LYS CB C 65 31.891 31.891 33.141 -1.250 25437 10889 1 18 . 1 1 65 65 LYS H H 65 8.369 8.369 8.822 -0.453 25437 10890 1 18 . 1 1 66 66 HIS N N 66 121.236 121.236 119.304 1.932 25437 10891 1 18 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.420 0.125 25437 10892 1 18 . 1 1 66 66 HIS CA C 66 59.256 59.256 59.498 -0.242 25437 10893 1 18 . 1 1 66 66 HIS CB C 66 28.619 28.619 29.625 -1.006 25437 10894 1 18 . 1 1 66 66 HIS H H 66 8.758 8.758 8.557 0.201 25437 10895 1 18 . 1 1 67 67 ILE N N 67 120.137 120.137 119.219 0.918 25437 10896 1 18 . 1 1 67 67 ILE HA H 67 4.372 4.372 4.013 0.359 25437 10897 1 18 . 1 1 67 67 ILE CA C 67 63.961 63.961 63.574 0.387 25437 10898 1 18 . 1 1 67 67 ILE CB C 67 37.935 37.935 36.533 1.402 25437 10899 1 18 . 1 1 67 67 ILE H H 67 7.849 7.849 8.397 -0.548 25437 10900 1 18 . 1 1 68 68 THR N N 68 104.067 104.067 109.537 -5.470 25437 10901 1 18 . 1 1 68 68 THR HA H 68 4.397 4.397 4.382 0.015 25437 10902 1 18 . 1 1 68 68 THR CA C 68 61.343 61.343 61.849 -0.506 25437 10903 1 18 . 1 1 68 68 THR CB C 68 68.473 68.473 69.406 -0.933 25437 10904 1 18 . 1 1 68 68 THR H H 68 7.168 7.168 7.734 -0.566 25437 10905 1 18 . 1 1 69 69 GLY N N 69 107.308 107.308 110.902 -3.594 25437 10906 1 18 . 1 1 69 69 GLY CA C 69 46.665 46.665 46.397 0.269 25437 10907 1 18 . 1 1 69 69 GLY H H 69 7.169 7.169 7.726 -0.557 25437 10908 1 18 . 1 1 70 70 ASP N N 70 114.629 114.629 119.681 -5.052 25437 10909 1 18 . 1 1 70 70 ASP HA H 70 4.734 4.734 4.747 -0.013 25437 10910 1 18 . 1 1 70 70 ASP CA C 70 54.627 54.627 53.740 0.887 25437 10911 1 18 . 1 1 70 70 ASP CB C 70 44.451 44.451 40.563 3.888 25437 10912 1 18 . 1 1 70 70 ASP H H 70 7.644 7.644 7.735 -0.091 25437 10913 1 18 . 1 1 71 71 ALA N N 71 118.917 118.917 118.568 0.349 25437 10914 1 18 . 1 1 71 71 ALA HA H 71 5.062 5.062 5.096 -0.034 25437 10915 1 18 . 1 1 71 71 ALA CA C 71 51.498 51.498 51.194 0.304 25437 10916 1 18 . 1 1 71 71 ALA CB C 71 21.994 21.994 21.937 0.057 25437 10917 1 18 . 1 1 71 71 ALA H H 71 7.529 7.529 7.368 0.161 25437 10918 1 18 . 1 1 72 72 ILE N N 72 110.818 110.818 113.273 -2.455 25437 10919 1 18 . 1 1 72 72 ILE HA H 72 5.249 5.249 4.527 0.722 25437 10920 1 18 . 1 1 72 72 ILE CA C 72 58.821 58.821 60.328 -1.507 25437 10921 1 18 . 1 1 72 72 ILE CB C 72 43.709 43.709 42.076 1.633 25437 10922 1 18 . 1 1 72 72 ILE H H 72 8.449 8.449 8.779 -0.330 25437 10923 1 18 . 1 1 73 73 ASP N N 73 117.790 117.790 121.042 -3.252 25437 10924 1 18 . 1 1 73 73 ASP HA H 73 6.094 6.094 5.426 0.668 25437 10925 1 18 . 1 1 73 73 ASP CA C 73 52.090 52.090 53.434 -1.344 25437 10926 1 18 . 1 1 73 73 ASP CB C 73 42.655 42.655 45.224 -2.569 25437 10927 1 18 . 1 1 73 73 ASP H H 73 8.442 8.442 9.009 -0.567 25437 10928 1 18 . 1 1 74 74 PHE N N 74 122.479 122.479 122.334 0.145 25437 10929 1 18 . 1 1 74 74 PHE HA H 74 6.173 6.173 5.425 0.748 25437 10930 1 18 . 1 1 74 74 PHE CA C 74 54.775 54.775 55.684 -0.909 25437 10931 1 18 . 1 1 74 74 PHE CB C 74 44.115 44.115 42.517 1.598 25437 10932 1 18 . 1 1 74 74 PHE H H 74 9.463 9.463 8.452 1.011 25437 10933 1 18 . 1 1 75 75 ALA N N 75 118.862 118.862 121.384 -2.522 25437 10934 1 18 . 1 1 75 75 ALA HA H 75 4.453 4.453 4.303 0.150 25437 10935 1 18 . 1 1 75 75 ALA CA C 75 50.134 50.134 48.881 1.253 25437 10936 1 18 . 1 1 75 75 ALA CB C 75 21.020 21.020 21.340 -0.320 25437 10937 1 18 . 1 1 75 75 ALA H H 75 8.575 8.575 9.036 -0.461 25437 10938 1 18 . 1 1 76 76 PRO HA H 76 4.466 4.466 4.810 -0.344 25437 10939 1 18 . 1 1 76 76 PRO CA C 76 62.353 62.353 62.965 -0.612 25437 10940 1 18 . 1 1 76 76 PRO CB C 76 32.135 32.135 31.397 0.738 25437 10941 1 18 . 1 1 77 77 TYR N N 77 126.211 126.211 126.187 0.024 25437 10942 1 18 . 1 1 77 77 TYR HA H 77 4.835 4.835 4.587 0.248 25437 10943 1 18 . 1 1 77 77 TYR CA C 77 56.830 56.830 59.063 -2.233 25437 10944 1 18 . 1 1 77 77 TYR CB C 77 40.384 40.384 40.422 -0.039 25437 10945 1 18 . 1 1 77 77 TYR H H 77 8.357 8.357 8.460 -0.103 25437 10946 1 18 . 1 1 78 78 ILE N N 78 124.613 124.613 123.959 0.654 25437 10947 1 18 . 1 1 78 78 ILE HA H 78 4.210 4.210 4.315 -0.105 25437 10948 1 18 . 1 1 78 78 ILE CA C 78 59.941 59.941 60.597 -0.656 25437 10949 1 18 . 1 1 78 78 ILE CB C 78 40.652 40.652 41.645 -0.993 25437 10950 1 18 . 1 1 78 78 ILE H H 78 8.334 8.334 8.907 -0.573 25437 10951 1 18 . 1 1 79 79 ASN N N 79 126.361 126.361 125.492 0.869 25437 10952 1 18 . 1 1 79 79 ASN HA H 79 4.339 4.339 4.417 -0.078 25437 10953 1 18 . 1 1 79 79 ASN CA C 79 53.937 53.937 53.849 0.088 25437 10954 1 18 . 1 1 79 79 ASN CB C 79 36.887 36.887 37.440 -0.553 25437 10955 1 18 . 1 1 79 79 ASN H H 79 9.444 9.444 9.217 0.227 25437 10956 1 18 . 1 1 80 80 GLY N N 80 102.068 102.068 101.113 0.955 25437 10957 1 18 . 1 1 80 80 GLY CA C 80 45.663 45.663 45.682 -0.019 25437 10958 1 18 . 1 1 80 80 GLY H H 80 8.240 8.240 8.888 -0.648 25437 10959 1 18 . 1 1 81 81 LYS N N 81 117.260 117.260 117.955 -0.695 25437 10960 1 18 . 1 1 81 81 LYS HA H 81 4.534 4.534 4.200 0.334 25437 10961 1 18 . 1 1 81 81 LYS CA C 81 54.226 54.226 53.703 0.523 25437 10962 1 18 . 1 1 81 81 LYS CB C 81 35.655 35.655 35.927 -0.272 25437 10963 1 18 . 1 1 81 81 LYS H H 81 7.046 7.046 7.465 -0.419 25437 10964 1 18 . 1 1 82 82 ILE N N 82 122.347 122.347 121.226 1.121 25437 10965 1 18 . 1 1 82 82 ILE HA H 82 4.091 4.091 3.338 0.753 25437 10966 1 18 . 1 1 82 82 ILE CA C 82 62.621 62.621 62.162 0.459 25437 10967 1 18 . 1 1 82 82 ILE CB C 82 37.833 37.833 37.778 0.055 25437 10968 1 18 . 1 1 82 82 ILE H H 82 8.418 8.418 8.264 0.154 25437 10969 1 18 . 1 1 83 83 ASP N N 83 128.498 128.498 126.435 2.063 25437 10970 1 18 . 1 1 83 83 ASP HA H 83 4.808 4.808 4.660 0.148 25437 10971 1 18 . 1 1 83 83 ASP CA C 83 51.619 51.619 52.687 -1.068 25437 10972 1 18 . 1 1 83 83 ASP CB C 83 41.079 41.079 40.188 0.891 25437 10973 1 18 . 1 1 83 83 ASP H H 83 8.028 8.028 8.401 -0.373 25437 10974 1 18 . 1 1 84 84 TRP N N 84 121.807 121.807 124.312 -2.505 25437 10975 1 18 . 1 1 84 84 TRP HA H 84 4.574 4.574 4.639 -0.065 25437 10976 1 18 . 1 1 84 84 TRP CA C 84 58.456 58.456 58.051 0.405 25437 10977 1 18 . 1 1 84 84 TRP CB C 84 30.177 30.177 30.709 -0.531 25437 10978 1 18 . 1 1 84 84 TRP H H 84 8.081 8.081 7.749 0.332 25437 10979 1 18 . 1 1 85 85 ASN N N 85 113.227 113.227 116.304 -3.077 25437 10980 1 18 . 1 1 85 85 ASN HA H 85 4.975 4.975 4.738 0.237 25437 10981 1 18 . 1 1 85 85 ASN CA C 85 53.430 53.430 54.523 -1.093 25437 10982 1 18 . 1 1 85 85 ASN CB C 85 40.162 40.162 39.058 1.104 25437 10983 1 18 . 1 1 85 85 ASN H H 85 8.386 8.386 8.072 0.314 25437 10984 1 18 . 1 1 86 86 ASP N N 86 118.821 118.821 122.635 -3.814 25437 10985 1 18 . 1 1 86 86 ASP HA H 86 4.813 4.813 4.792 0.021 25437 10986 1 18 . 1 1 86 86 ASP CA C 86 52.255 52.255 54.075 -1.820 25437 10987 1 18 . 1 1 86 86 ASP CB C 86 37.613 37.613 40.324 -2.711 25437 10988 1 18 . 1 1 86 86 ASP H H 86 7.405 7.405 8.200 -0.795 25437 10989 1 18 . 1 1 87 87 LEU N N 87 127.177 127.177 123.517 3.660 25437 10990 1 18 . 1 1 87 87 LEU HA H 87 4.055 4.055 4.264 -0.209 25437 10991 1 18 . 1 1 87 87 LEU CA C 87 58.321 58.321 55.684 2.637 25437 10992 1 18 . 1 1 87 87 LEU CB C 87 40.887 40.887 41.241 -0.354 25437 10993 1 18 . 1 1 87 87 LEU H H 87 8.274 8.274 7.821 0.453 25437 10994 1 18 . 1 1 88 88 GLU N N 88 114.132 114.132 119.453 -5.321 25437 10995 1 18 . 1 1 88 88 GLU HA H 88 3.938 3.938 3.980 -0.042 25437 10996 1 18 . 1 1 88 88 GLU CA C 88 59.437 59.437 59.581 -0.144 25437 10997 1 18 . 1 1 88 88 GLU CB C 88 27.987 27.987 29.226 -1.239 25437 10998 1 18 . 1 1 88 88 GLU H H 88 8.257 8.257 8.603 -0.346 25437 10999 1 18 . 1 1 89 89 ALA N N 89 122.075 122.075 120.917 1.158 25437 11000 1 18 . 1 1 89 89 ALA HA H 89 3.799 3.799 4.360 -0.561 25437 11001 1 18 . 1 1 89 89 ALA CA C 89 54.703 54.703 54.651 0.052 25437 11002 1 18 . 1 1 89 89 ALA CB C 89 17.635 17.635 18.367 -0.732 25437 11003 1 18 . 1 1 89 89 ALA H H 89 7.418 7.418 7.548 -0.130 25437 11004 1 18 . 1 1 90 90 PHE N N 90 116.551 116.551 119.672 -3.121 25437 11005 1 18 . 1 1 90 90 PHE HA H 90 4.025 4.025 4.315 -0.290 25437 11006 1 18 . 1 1 90 90 PHE CA C 90 64.150 64.150 59.589 4.561 25437 11007 1 18 . 1 1 90 90 PHE CB C 90 38.965 38.965 38.855 0.110 25437 11008 1 18 . 1 1 90 90 PHE H H 90 7.777 7.777 7.587 0.190 25437 11009 1 18 . 1 1 91 91 TRP N N 91 119.390 119.390 120.202 -0.812 25437 11010 1 18 . 1 1 91 91 TRP HA H 91 4.578 4.578 4.124 0.454 25437 11011 1 18 . 1 1 91 91 TRP CA C 91 59.217 59.217 60.818 -1.601 25437 11012 1 18 . 1 1 91 91 TRP CB C 91 29.802 29.802 29.119 0.683 25437 11013 1 18 . 1 1 91 91 TRP H H 91 7.821 7.821 8.164 -0.343 25437 11014 1 18 . 1 1 92 92 ALA N N 92 121.275 121.275 121.961 -0.686 25437 11015 1 18 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.048 0.076 25437 11016 1 18 . 1 1 92 92 ALA CA C 92 55.229 55.229 54.880 0.349 25437 11017 1 18 . 1 1 92 92 ALA CB C 92 18.870 18.870 18.218 0.652 25437 11018 1 18 . 1 1 92 92 ALA H H 92 8.242 8.242 7.635 0.607 25437 11019 1 18 . 1 1 93 93 VAL N N 93 120.454 120.454 118.125 2.329 25437 11020 1 18 . 1 1 93 93 VAL HA H 93 3.600 3.600 3.777 -0.177 25437 11021 1 18 . 1 1 93 93 VAL CA C 93 66.424 66.424 64.540 1.884 25437 11022 1 18 . 1 1 93 93 VAL CB C 93 30.676 30.676 32.117 -1.440 25437 11023 1 18 . 1 1 93 93 VAL H H 93 8.259 8.259 8.072 0.187 25437 11024 1 18 . 1 1 94 94 LYS N N 94 122.098 122.098 120.605 1.493 25437 11025 1 18 . 1 1 94 94 LYS HA H 94 3.690 3.690 3.881 -0.191 25437 11026 1 18 . 1 1 94 94 LYS CA C 94 60.959 60.959 59.483 1.476 25437 11027 1 18 . 1 1 94 94 LYS CB C 94 31.484 31.484 31.679 -0.195 25437 11028 1 18 . 1 1 94 94 LYS H H 94 8.382 8.382 7.813 0.569 25437 11029 1 18 . 1 1 95 95 LYS N N 95 118.030 118.030 118.771 -0.741 25437 11030 1 18 . 1 1 95 95 LYS HA H 95 3.958 3.958 3.965 -0.007 25437 11031 1 18 . 1 1 95 95 LYS CA C 95 59.212 59.212 59.152 0.060 25437 11032 1 18 . 1 1 95 95 LYS CB C 95 31.219 31.219 32.172 -0.953 25437 11033 1 18 . 1 1 95 95 LYS H H 95 7.957 7.957 7.432 0.525 25437 11034 1 18 . 1 1 96 96 ALA N N 96 124.359 124.359 120.965 3.394 25437 11035 1 18 . 1 1 96 96 ALA HA H 96 4.229 4.229 4.085 0.144 25437 11036 1 18 . 1 1 96 96 ALA CA C 96 55.422 55.422 54.781 0.641 25437 11037 1 18 . 1 1 96 96 ALA CB C 96 17.148 17.148 18.233 -1.085 25437 11038 1 18 . 1 1 96 96 ALA H H 96 7.668 7.668 7.472 0.196 25437 11039 1 18 . 1 1 97 97 PHE N N 97 117.446 117.446 119.201 -1.755 25437 11040 1 18 . 1 1 97 97 PHE HA H 97 3.883 3.883 4.155 -0.272 25437 11041 1 18 . 1 1 97 97 PHE CA C 97 63.187 63.187 62.084 1.103 25437 11042 1 18 . 1 1 97 97 PHE CB C 97 40.401 40.401 39.430 0.971 25437 11043 1 18 . 1 1 97 97 PHE H H 97 8.369 8.369 8.207 0.162 25437 11044 1 18 . 1 1 98 98 GLU N N 98 119.148 119.148 117.515 1.633 25437 11045 1 18 . 1 1 98 98 GLU HA H 98 4.140 4.140 3.937 0.203 25437 11046 1 18 . 1 1 98 98 GLU CA C 98 59.610 59.610 58.443 1.167 25437 11047 1 18 . 1 1 98 98 GLU CB C 98 29.444 29.444 29.025 0.419 25437 11048 1 18 . 1 1 98 98 GLU H H 98 8.821 8.821 7.888 0.933 25437 11049 1 18 . 1 1 99 99 GLN N N 99 120.727 120.727 118.036 2.691 25437 11050 1 18 . 1 1 99 99 GLN HA H 99 4.061 4.061 4.178 -0.117 25437 11051 1 18 . 1 1 99 99 GLN CA C 99 59.130 59.130 57.718 1.412 25437 11052 1 18 . 1 1 99 99 GLN CB C 99 27.524 27.524 28.884 -1.360 25437 11053 1 18 . 1 1 99 99 GLN H H 99 8.436 8.436 8.026 0.410 25437 11054 1 18 . 1 1 100 100 ALA N N 100 122.603 122.603 122.445 0.158 25437 11055 1 18 . 1 1 100 100 ALA HA H 100 3.886 3.886 4.181 -0.295 25437 11056 1 18 . 1 1 100 100 ALA CA C 100 55.399 55.399 54.792 0.607 25437 11057 1 18 . 1 1 100 100 ALA CB C 100 19.472 19.472 18.181 1.291 25437 11058 1 18 . 1 1 100 100 ALA H H 100 8.433 8.433 8.472 -0.039 25437 11059 1 18 . 1 1 101 101 GLY N N 101 104.253 104.253 105.179 -0.926 25437 11060 1 18 . 1 1 101 101 GLY CA C 101 47.843 47.843 46.347 1.496 25437 11061 1 18 . 1 1 101 101 GLY H H 101 9.035 9.035 7.971 1.064 25437 11062 1 18 . 1 1 102 102 LYS N N 102 121.912 121.912 120.870 1.042 25437 11063 1 18 . 1 1 102 102 LYS HA H 102 4.116 4.116 4.126 -0.010 25437 11064 1 18 . 1 1 102 102 LYS CA C 102 59.314 59.314 58.703 0.611 25437 11065 1 18 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.286 -0.107 25437 11066 1 18 . 1 1 102 102 LYS H H 102 7.928 7.928 8.098 -0.170 25437 11067 1 18 . 1 1 103 103 GLU N N 103 119.382 119.382 118.874 0.508 25437 11068 1 18 . 1 1 103 103 GLU HA H 103 3.989 3.989 4.161 -0.172 25437 11069 1 18 . 1 1 103 103 GLU CA C 103 59.093 59.093 58.193 0.900 25437 11070 1 18 . 1 1 103 103 GLU CB C 103 30.127 30.127 29.348 0.779 25437 11071 1 18 . 1 1 103 103 GLU H H 103 8.406 8.406 7.660 0.746 25437 11072 1 18 . 1 1 104 104 LEU N N 104 115.551 115.551 117.228 -1.677 25437 11073 1 18 . 1 1 104 104 LEU HA H 104 4.360 4.360 4.359 0.001 25437 11074 1 18 . 1 1 104 104 LEU CA C 104 55.185 55.185 55.096 0.089 25437 11075 1 18 . 1 1 104 104 LEU CB C 104 43.105 43.105 42.484 0.621 25437 11076 1 18 . 1 1 104 104 LEU H H 104 7.999 7.999 7.971 0.028 25437 11077 1 18 . 1 1 105 105 GLY N N 105 110.561 110.561 105.405 5.156 25437 11078 1 18 . 1 1 105 105 GLY CA C 105 46.480 46.480 45.480 1.000 25437 11079 1 18 . 1 1 105 105 GLY H H 105 7.898 7.898 7.658 0.240 25437 11080 1 18 . 1 1 106 106 ILE N N 106 121.745 121.745 120.701 1.044 25437 11081 1 18 . 1 1 106 106 ILE HA H 106 4.227 4.227 3.872 0.355 25437 11082 1 18 . 1 1 106 106 ILE CA C 106 59.717 59.717 61.562 -1.845 25437 11083 1 18 . 1 1 106 106 ILE CB C 106 41.096 41.096 38.793 2.303 25437 11084 1 18 . 1 1 106 106 ILE H H 106 8.428 8.428 7.747 0.681 25437 11085 1 18 . 1 1 107 107 LYS N N 107 127.736 127.736 127.164 0.572 25437 11086 1 18 . 1 1 107 107 LYS HA H 107 4.275 4.275 4.177 0.098 25437 11087 1 18 . 1 1 107 107 LYS CA C 107 57.224 57.224 57.125 0.099 25437 11088 1 18 . 1 1 107 107 LYS CB C 107 32.752 32.752 32.378 0.374 25437 11089 1 18 . 1 1 107 107 LYS H H 107 8.489 8.489 8.381 0.108 25437 11090 1 18 . 1 1 108 108 LEU N N 108 122.881 122.881 124.636 -1.755 25437 11091 1 18 . 1 1 108 108 LEU HA H 108 5.235 5.235 4.735 0.500 25437 11092 1 18 . 1 1 108 108 LEU CA C 108 53.287 53.287 54.643 -1.356 25437 11093 1 18 . 1 1 108 108 LEU CB C 108 47.016 47.016 44.588 2.428 25437 11094 1 18 . 1 1 108 108 LEU H H 108 8.049 8.049 8.409 -0.360 25437 11095 1 18 . 1 1 109 109 ARG N N 109 120.726 120.726 125.159 -4.433 25437 11096 1 18 . 1 1 109 109 ARG HA H 109 4.438 4.438 4.017 0.421 25437 11097 1 18 . 1 1 109 109 ARG CA C 109 55.193 55.193 55.724 -0.531 25437 11098 1 18 . 1 1 109 109 ARG CB C 109 33.519 33.519 34.095 -0.576 25437 11099 1 18 . 1 1 109 109 ARG H H 109 8.736 8.736 8.210 0.526 25437 11100 1 18 . 1 1 110 110 PHE N N 110 121.516 121.516 121.683 -0.167 25437 11101 1 18 . 1 1 110 110 PHE HA H 110 5.303 5.303 4.962 0.341 25437 11102 1 18 . 1 1 110 110 PHE CA C 110 56.644 56.644 56.672 -0.028 25437 11103 1 18 . 1 1 110 110 PHE CB C 110 40.602 40.602 39.844 0.758 25437 11104 1 18 . 1 1 110 110 PHE H H 110 8.707 8.707 8.420 0.287 25437 11105 1 18 . 1 1 111 111 GLY N N 111 108.992 108.992 109.629 -0.637 25437 11106 1 18 . 1 1 111 111 GLY CA C 111 45.604 45.604 45.510 0.094 25437 11107 1 18 . 1 1 111 111 GLY H H 111 7.819 7.819 8.799 -0.980 25437 11108 1 18 . 1 1 112 112 ALA N N 112 111.448 111.448 121.720 -10.272 25437 11109 1 18 . 1 1 112 112 ALA HA H 112 3.858 3.858 4.483 -0.625 25437 11110 1 18 . 1 1 112 112 ALA CA C 112 52.083 52.083 52.899 -0.816 25437 11111 1 18 . 1 1 112 112 ALA CB C 112 18.655 18.655 20.001 -1.346 25437 11112 1 18 . 1 1 112 112 ALA H H 112 7.945 7.945 7.964 -0.019 25437 11113 1 18 . 1 1 113 113 ASP N N 113 106.770 106.770 119.403 -12.633 25437 11114 1 18 . 1 1 113 113 ASP HA H 113 5.157 5.157 4.519 0.638 25437 11115 1 18 . 1 1 113 113 ASP CA C 113 52.285 52.285 57.373 -5.088 25437 11116 1 18 . 1 1 113 113 ASP CB C 113 41.465 41.465 40.827 0.638 25437 11117 1 18 . 1 1 113 113 ASP H H 113 7.000 7.000 8.698 -1.698 25437 11118 1 18 . 1 1 114 114 TRP N N 114 119.829 119.829 119.943 -0.114 25437 11119 1 18 . 1 1 114 114 TRP HA H 114 4.184 4.184 4.388 -0.204 25437 11120 1 18 . 1 1 114 114 TRP CA C 114 61.455 61.455 60.070 1.385 25437 11121 1 18 . 1 1 114 114 TRP CB C 114 26.427 26.427 29.509 -3.082 25437 11122 1 18 . 1 1 114 114 TRP H H 114 7.589 7.589 8.470 -0.881 25437 11123 1 18 . 1 1 115 115 ASN N N 115 117.900 117.900 118.443 -0.543 25437 11124 1 18 . 1 1 115 115 ASN HA H 115 4.548 4.548 4.447 0.101 25437 11125 1 18 . 1 1 115 115 ASN CA C 115 55.955 55.955 56.163 -0.208 25437 11126 1 18 . 1 1 115 115 ASN CB C 115 36.818 36.818 37.996 -1.178 25437 11127 1 18 . 1 1 115 115 ASN H H 115 9.503 9.503 8.618 0.885 25437 11128 1 18 . 1 1 116 116 ALA N N 116 123.758 123.758 120.893 2.865 25437 11129 1 18 . 1 1 116 116 ALA HA H 116 4.181 4.181 4.132 0.049 25437 11130 1 18 . 1 1 116 116 ALA CA C 116 53.111 53.111 54.245 -1.134 25437 11131 1 18 . 1 1 116 116 ALA CB C 116 16.596 16.596 18.371 -1.775 25437 11132 1 18 . 1 1 116 116 ALA H H 116 8.079 8.079 7.614 0.465 25437 11133 1 18 . 1 1 117 117 SER N N 117 116.009 116.009 112.873 3.136 25437 11134 1 18 . 1 1 117 117 SER HA H 117 4.417 4.417 4.290 0.127 25437 11135 1 18 . 1 1 117 117 SER CA C 117 59.433 59.433 59.124 0.309 25437 11136 1 18 . 1 1 117 117 SER CB C 117 65.026 65.026 63.990 1.036 25437 11137 1 18 . 1 1 117 117 SER H H 117 9.460 9.460 7.949 1.511 25437 11138 1 18 . 1 1 118 118 GLY N N 118 115.031 115.031 110.873 4.158 25437 11139 1 18 . 1 1 118 118 GLY CA C 118 45.197 45.197 44.730 0.467 25437 11140 1 18 . 1 1 118 118 GLY H H 118 10.733 10.733 7.517 3.216 25437 11141 1 18 . 1 1 119 119 ASP N N 119 116.435 116.435 122.006 -5.571 25437 11142 1 18 . 1 1 119 119 ASP HA H 119 4.590 4.590 4.750 -0.160 25437 11143 1 18 . 1 1 119 119 ASP CA C 119 53.181 53.181 53.039 0.142 25437 11144 1 18 . 1 1 119 119 ASP CB C 119 43.864 43.864 42.515 1.349 25437 11145 1 18 . 1 1 119 119 ASP H H 119 7.770 7.770 8.017 -0.247 25437 11146 1 18 . 1 1 120 120 TYR N N 120 120.253 120.253 117.688 2.565 25437 11147 1 18 . 1 1 120 120 TYR HA H 120 6.088 6.088 5.202 0.886 25437 11148 1 18 . 1 1 120 120 TYR CA C 120 56.003 56.003 56.231 -0.228 25437 11149 1 18 . 1 1 120 120 TYR CB C 120 40.371 40.371 38.991 1.380 25437 11150 1 18 . 1 1 120 120 TYR H H 120 6.801 6.801 7.898 -1.097 25437 11151 1 18 . 1 1 121 121 HIS HA H 121 4.537 4.537 4.568 -0.031 25437 11152 1 18 . 1 1 121 121 HIS CA C 121 59.002 59.002 55.021 3.981 25437 11153 1 18 . 1 1 121 121 HIS CB C 121 27.950 27.950 29.226 -1.276 25437 11154 1 18 . 1 1 122 122 ASP N N 122 111.622 111.622 120.438 -8.816 25437 11155 1 18 . 1 1 122 122 ASP HA H 122 4.815 4.815 4.289 0.526 25437 11156 1 18 . 1 1 122 122 ASP CA C 122 51.612 51.612 55.067 -3.455 25437 11157 1 18 . 1 1 122 122 ASP CB C 122 36.980 36.980 40.202 -3.222 25437 11158 1 18 . 1 1 122 122 ASP H H 122 8.154 8.154 8.296 -0.142 25437 11159 1 18 . 1 1 124 124 ILE N N 124 119.763 119.763 113.629 6.134 25437 11160 1 18 . 1 1 124 124 ILE HA H 124 3.843 3.843 4.082 -0.239 25437 11161 1 18 . 1 1 124 124 ILE CA C 124 64.714 64.714 63.760 0.954 25437 11162 1 18 . 1 1 124 124 ILE CB C 124 36.859 36.859 38.337 -1.478 25437 11163 1 18 . 1 1 124 124 ILE H H 124 7.639 7.639 8.453 -0.814 25437 11164 1 18 . 1 1 125 125 LYS N N 125 121.010 121.010 118.069 2.941 25437 11165 1 18 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.284 -0.175 25437 11166 1 18 . 1 1 125 125 LYS CA C 125 59.241 59.241 57.251 1.990 25437 11167 1 18 . 1 1 125 125 LYS CB C 125 31.985 31.985 31.885 0.100 25437 11168 1 18 . 1 1 125 125 LYS H H 125 7.739 7.739 8.439 -0.700 25437 11169 1 18 . 1 1 126 126 ARG N N 126 115.276 115.276 119.399 -4.123 25437 11170 1 18 . 1 1 126 126 ARG HA H 126 4.338 4.338 4.188 0.150 25437 11171 1 18 . 1 1 126 126 ARG CA C 126 57.189 57.189 56.818 0.371 25437 11172 1 18 . 1 1 126 126 ARG CB C 126 31.015 31.015 30.211 0.804 25437 11173 1 18 . 1 1 126 126 ARG H H 126 7.904 7.904 8.042 -0.138 25437 11174 1 18 . 1 1 127 127 GLY N N 127 107.767 107.767 107.156 0.611 25437 11175 1 18 . 1 1 127 127 GLY CA C 127 45.822 45.822 44.840 0.982 25437 11176 1 18 . 1 1 127 127 GLY H H 127 7.912 7.912 8.128 -0.216 25437 11177 1 18 . 1 1 128 128 THR N N 128 107.570 107.570 112.145 -4.575 25437 11178 1 18 . 1 1 128 128 THR HA H 128 4.252 4.252 4.623 -0.371 25437 11179 1 18 . 1 1 128 128 THR CA C 128 60.620 60.620 59.853 0.767 25437 11180 1 18 . 1 1 128 128 THR CB C 128 69.224 69.224 71.749 -2.525 25437 11181 1 18 . 1 1 128 128 THR H H 128 8.121 8.121 7.409 0.712 25437 11182 1 18 . 1 1 129 129 TYR N N 129 123.143 123.143 122.851 0.292 25437 11183 1 18 . 1 1 129 129 TYR HA H 129 4.173 4.173 4.692 -0.519 25437 11184 1 18 . 1 1 129 129 TYR CA C 129 61.448 61.448 56.996 4.452 25437 11185 1 18 . 1 1 129 129 TYR CB C 129 38.796 38.796 38.495 0.301 25437 11186 1 18 . 1 1 129 129 TYR H H 129 7.209 7.209 8.690 -1.481 25437 11187 1 18 . 1 1 130 130 ASP N N 130 117.930 117.930 122.831 -4.901 25437 11188 1 18 . 1 1 130 130 ASP HA H 130 4.641 4.641 4.325 0.316 25437 11189 1 18 . 1 1 130 130 ASP CA C 130 53.440 53.440 57.244 -3.804 25437 11190 1 18 . 1 1 130 130 ASP CB C 130 43.221 43.221 40.414 2.807 25437 11191 1 18 . 1 1 130 130 ASP H H 130 8.216 8.216 7.684 0.532 25437 11192 1 18 . 1 1 132 132 GLY N N 132 107.481 107.481 108.475 -0.994 25437 11193 1 18 . 1 1 132 132 GLY CA C 132 44.013 44.013 44.330 -0.317 25437 11194 1 18 . 1 1 132 132 GLY H H 132 8.304 8.304 7.226 1.078 25437 11195 1 18 . 1 1 133 133 HIS N N 133 117.609 117.609 122.772 -5.163 25437 11196 1 18 . 1 1 133 133 HIS HA H 133 5.430 5.430 4.483 0.947 25437 11197 1 18 . 1 1 133 133 HIS CA C 133 57.155 57.155 57.059 0.096 25437 11198 1 18 . 1 1 133 133 HIS CB C 133 31.667 31.667 29.535 2.131 25437 11199 1 18 . 1 1 133 133 HIS H H 133 6.942 6.942 7.354 -0.412 25437 11200 1 18 . 1 1 134 134 VAL N N 134 133.201 133.201 122.429 10.772 25437 11201 1 18 . 1 1 134 134 VAL HA H 134 4.254 4.254 4.699 -0.445 25437 11202 1 18 . 1 1 134 134 VAL CA C 134 61.676 61.676 60.864 0.812 25437 11203 1 18 . 1 1 134 134 VAL CB C 134 34.775 34.775 34.453 0.323 25437 11204 1 18 . 1 1 134 134 VAL H H 134 9.127 9.127 8.240 0.887 25437 11205 1 18 . 1 1 135 135 GLU N N 135 119.904 119.904 124.159 -4.255 25437 11206 1 18 . 1 1 135 135 GLU HA H 135 5.458 5.458 4.830 0.628 25437 11207 1 18 . 1 1 135 135 GLU CA C 135 52.126 52.126 53.242 -1.116 25437 11208 1 18 . 1 1 135 135 GLU CB C 135 34.550 34.550 33.293 1.257 25437 11209 1 18 . 1 1 135 135 GLU H H 135 8.501 8.501 8.242 0.259 25437 11210 1 18 . 1 1 136 136 LEU N N 136 119.357 119.357 122.707 -3.350 25437 11211 1 18 . 1 1 136 136 LEU HA H 136 4.432 4.432 4.504 -0.072 25437 11212 1 18 . 1 1 136 136 LEU CA C 136 54.772 54.772 54.607 0.165 25437 11213 1 18 . 1 1 136 136 LEU CB C 136 42.524 42.524 40.398 2.126 25437 11214 1 18 . 1 1 136 136 LEU H H 136 8.280 8.280 8.333 -0.053 25437 11215 1 19 . 1 1 3 3 PHE N N 3 121.785 121.785 123.729 -1.944 25437 11216 1 19 . 1 1 3 3 PHE HA H 3 4.792 4.792 4.069 0.723 25437 11217 1 19 . 1 1 3 3 PHE CA C 3 56.407 56.407 59.245 -2.838 25437 11218 1 19 . 1 1 3 3 PHE CB C 3 40.111 40.111 39.345 0.766 25437 11219 1 19 . 1 1 3 3 PHE H H 3 8.534 8.534 8.711 -0.177 25437 11220 1 19 . 1 1 4 4 LYS N N 4 119.409 119.409 124.610 -5.201 25437 11221 1 19 . 1 1 4 4 LYS HA H 4 4.452 4.452 4.054 0.398 25437 11222 1 19 . 1 1 4 4 LYS CA C 4 54.774 54.774 54.228 0.546 25437 11223 1 19 . 1 1 4 4 LYS CB C 4 35.710 35.710 34.592 1.119 25437 11224 1 19 . 1 1 4 4 LYS H H 4 8.367 8.367 7.408 0.959 25437 11225 1 19 . 1 1 5 5 PHE N N 5 124.495 124.495 122.492 2.003 25437 11226 1 19 . 1 1 5 5 PHE HA H 5 4.873 4.873 4.460 0.413 25437 11227 1 19 . 1 1 5 5 PHE CA C 5 58.636 58.636 57.453 1.183 25437 11228 1 19 . 1 1 5 5 PHE CB C 5 39.217 39.217 37.987 1.230 25437 11229 1 19 . 1 1 5 5 PHE H H 5 8.603 8.603 7.865 0.738 25437 11230 1 19 . 1 1 6 6 GLY N N 6 108.622 108.622 112.280 -3.658 25437 11231 1 19 . 1 1 6 6 GLY CA C 6 43.819 43.819 44.654 -0.835 25437 11232 1 19 . 1 1 6 6 GLY H H 6 8.559 8.559 8.262 0.297 25437 11233 1 19 . 1 1 7 7 LYS N N 7 119.341 119.341 120.474 -1.133 25437 11234 1 19 . 1 1 7 7 LYS HA H 7 3.958 3.958 4.080 -0.122 25437 11235 1 19 . 1 1 7 7 LYS CA C 7 60.087 60.087 59.270 0.817 25437 11236 1 19 . 1 1 7 7 LYS CB C 7 32.399 32.399 32.337 0.062 25437 11237 1 19 . 1 1 7 7 LYS H H 7 8.692 8.692 8.615 0.077 25437 11238 1 19 . 1 1 8 8 ASN N N 8 118.555 118.555 116.093 2.462 25437 11239 1 19 . 1 1 8 8 ASN HA H 8 4.551 4.551 4.650 -0.099 25437 11240 1 19 . 1 1 8 8 ASN CA C 8 56.776 56.776 55.911 0.865 25437 11241 1 19 . 1 1 8 8 ASN CB C 8 36.961 36.961 38.264 -1.303 25437 11242 1 19 . 1 1 8 8 ASN H H 8 9.185 9.185 8.557 0.628 25437 11243 1 19 . 1 1 9 9 SER N N 9 118.632 118.632 116.369 2.263 25437 11244 1 19 . 1 1 9 9 SER HA H 9 4.283 4.283 4.356 -0.073 25437 11245 1 19 . 1 1 9 9 SER CA C 9 62.790 62.790 62.381 0.409 25437 11246 1 19 . 1 1 9 9 SER CB C 9 62.790 62.790 63.203 -0.413 25437 11247 1 19 . 1 1 9 9 SER H H 9 8.076 8.076 8.020 0.056 25437 11248 1 19 . 1 1 10 10 GLU N N 10 120.882 120.882 121.220 -0.338 25437 11249 1 19 . 1 1 10 10 GLU HA H 10 3.977 3.977 3.995 -0.018 25437 11250 1 19 . 1 1 10 10 GLU CA C 10 59.409 59.409 59.575 -0.166 25437 11251 1 19 . 1 1 10 10 GLU CB C 10 28.556 28.556 29.874 -1.318 25437 11252 1 19 . 1 1 10 10 GLU H H 10 8.351 8.351 8.479 -0.128 25437 11253 1 19 . 1 1 11 11 LYS N N 11 120.030 120.030 118.079 1.951 25437 11254 1 19 . 1 1 11 11 LYS HA H 11 4.056 4.056 4.102 -0.046 25437 11255 1 19 . 1 1 11 11 LYS CA C 11 59.477 59.477 58.465 1.012 25437 11256 1 19 . 1 1 11 11 LYS CB C 11 32.032 32.032 31.822 0.210 25437 11257 1 19 . 1 1 11 11 LYS H H 11 7.937 7.937 7.617 0.320 25437 11258 1 19 . 1 1 12 12 GLN N N 12 114.749 114.749 119.746 -4.997 25437 11259 1 19 . 1 1 12 12 GLN HA H 12 4.147 4.147 4.089 0.058 25437 11260 1 19 . 1 1 12 12 GLN CA C 12 57.373 57.373 59.129 -1.756 25437 11261 1 19 . 1 1 12 12 GLN CB C 12 28.511 28.511 28.823 -0.312 25437 11262 1 19 . 1 1 12 12 GLN H H 12 7.562 7.562 7.765 -0.203 25437 11263 1 19 . 1 1 13 13 LEU N N 13 121.751 121.751 118.280 3.471 25437 11264 1 19 . 1 1 13 13 LEU HA H 13 3.880 3.880 4.231 -0.351 25437 11265 1 19 . 1 1 13 13 LEU CA C 13 57.080 57.080 55.888 1.192 25437 11266 1 19 . 1 1 13 13 LEU CB C 13 42.413 42.413 40.151 2.262 25437 11267 1 19 . 1 1 13 13 LEU H H 13 8.725 8.725 8.104 0.621 25437 11268 1 19 . 1 1 14 14 ALA N N 14 116.323 116.323 120.041 -3.718 25437 11269 1 19 . 1 1 14 14 ALA HA H 14 4.070 4.070 4.199 -0.129 25437 11270 1 19 . 1 1 14 14 ALA CA C 14 53.706 53.706 53.873 -0.167 25437 11271 1 19 . 1 1 14 14 ALA CB C 14 18.020 18.020 18.741 -0.721 25437 11272 1 19 . 1 1 14 14 ALA H H 14 7.574 7.574 7.456 0.118 25437 11273 1 19 . 1 1 15 15 THR N N 15 104.034 104.034 109.928 -5.894 25437 11274 1 19 . 1 1 15 15 THR HA H 15 4.431 4.431 4.431 -0.000 25437 11275 1 19 . 1 1 15 15 THR CA C 15 62.381 62.381 61.130 1.250 25437 11276 1 19 . 1 1 15 15 THR CB C 15 70.327 70.327 69.578 0.749 25437 11277 1 19 . 1 1 15 15 THR H H 15 7.326 7.326 7.300 0.026 25437 11278 1 19 . 1 1 16 16 VAL N N 16 112.438 112.438 121.304 -8.866 25437 11279 1 19 . 1 1 16 16 VAL HA H 16 4.922 4.922 3.942 0.980 25437 11280 1 19 . 1 1 16 16 VAL CA C 16 59.661 59.661 63.061 -3.400 25437 11281 1 19 . 1 1 16 16 VAL CB C 16 32.989 32.989 33.244 -0.255 25437 11282 1 19 . 1 1 16 16 VAL H H 16 7.164 7.164 7.400 -0.236 25437 11283 1 19 . 1 1 17 17 LYS N N 17 120.729 120.729 127.976 -7.247 25437 11284 1 19 . 1 1 17 17 LYS HA H 17 4.230 4.230 4.340 -0.110 25437 11285 1 19 . 1 1 17 17 LYS CA C 17 55.486 55.486 57.839 -2.353 25437 11286 1 19 . 1 1 17 17 LYS CB C 17 32.079 32.079 30.799 1.280 25437 11287 1 19 . 1 1 17 17 LYS H H 17 8.907 8.907 8.773 0.134 25437 11288 1 19 . 1 1 18 18 PRO HA H 18 4.130 4.130 4.487 -0.357 25437 11289 1 19 . 1 1 18 18 PRO CA C 18 65.813 65.813 63.013 2.800 25437 11290 1 19 . 1 1 18 18 PRO CB C 18 31.864 31.864 32.079 -0.215 25437 11291 1 19 . 1 1 19 19 GLU N N 19 117.608 117.608 117.834 -0.226 25437 11292 1 19 . 1 1 19 19 GLU HA H 19 4.011 4.011 4.438 -0.427 25437 11293 1 19 . 1 1 19 19 GLU CA C 19 61.031 61.031 56.547 4.484 25437 11294 1 19 . 1 1 19 19 GLU CB C 19 29.117 29.117 29.148 -0.031 25437 11295 1 19 . 1 1 19 19 GLU H H 19 9.714 9.714 8.715 0.999 25437 11296 1 19 . 1 1 20 20 LEU N N 20 117.938 117.938 118.857 -0.919 25437 11297 1 19 . 1 1 20 20 LEU HA H 20 4.258 4.258 3.977 0.281 25437 11298 1 19 . 1 1 20 20 LEU CA C 20 56.261 56.261 58.106 -1.845 25437 11299 1 19 . 1 1 20 20 LEU CB C 20 41.894 41.894 40.751 1.143 25437 11300 1 19 . 1 1 20 20 LEU H H 20 7.188 7.188 7.931 -0.743 25437 11301 1 19 . 1 1 21 21 GLN N N 21 118.367 118.367 118.351 0.016 25437 11302 1 19 . 1 1 21 21 GLN HA H 21 3.831 3.831 3.969 -0.138 25437 11303 1 19 . 1 1 21 21 GLN CA C 21 60.100 60.100 58.729 1.371 25437 11304 1 19 . 1 1 21 21 GLN CB C 21 27.745 27.745 27.553 0.192 25437 11305 1 19 . 1 1 21 21 GLN H H 21 7.805 7.805 8.492 -0.687 25437 11306 1 19 . 1 1 22 22 LYS N N 22 116.715 116.715 120.171 -3.456 25437 11307 1 19 . 1 1 22 22 LYS HA H 22 3.962 3.962 3.970 -0.008 25437 11308 1 19 . 1 1 22 22 LYS CA C 22 59.816 59.816 59.619 0.197 25437 11309 1 19 . 1 1 22 22 LYS CB C 22 32.520 32.520 32.052 0.468 25437 11310 1 19 . 1 1 22 22 LYS H H 22 8.143 8.143 8.196 -0.053 25437 11311 1 19 . 1 1 23 23 VAL N N 23 118.397 118.397 119.604 -1.207 25437 11312 1 19 . 1 1 23 23 VAL HA H 23 3.591 3.591 3.512 0.079 25437 11313 1 19 . 1 1 23 23 VAL CA C 23 66.313 66.313 66.153 0.160 25437 11314 1 19 . 1 1 23 23 VAL CB C 23 31.529 31.529 31.568 -0.039 25437 11315 1 19 . 1 1 23 23 VAL H H 23 7.715 7.715 7.570 0.145 25437 11316 1 19 . 1 1 24 24 ALA N N 24 121.929 121.929 121.885 0.044 25437 11317 1 19 . 1 1 24 24 ALA HA H 24 4.024 4.024 3.598 0.426 25437 11318 1 19 . 1 1 24 24 ALA CA C 24 55.444 55.444 55.387 0.057 25437 11319 1 19 . 1 1 24 24 ALA CB C 24 18.086 18.086 18.366 -0.280 25437 11320 1 19 . 1 1 24 24 ALA H H 24 8.307 8.307 7.422 0.885 25437 11321 1 19 . 1 1 25 25 ARG N N 25 114.491 114.491 118.422 -3.931 25437 11322 1 19 . 1 1 25 25 ARG HA H 25 4.114 4.114 4.209 -0.095 25437 11323 1 19 . 1 1 25 25 ARG CA C 25 60.717 60.717 59.971 0.746 25437 11324 1 19 . 1 1 25 25 ARG CB C 25 29.257 29.257 30.242 -0.985 25437 11325 1 19 . 1 1 25 25 ARG H H 25 8.224 8.224 8.372 -0.148 25437 11326 1 19 . 1 1 26 26 ARG N N 26 119.944 119.944 118.855 1.089 25437 11327 1 19 . 1 1 26 26 ARG HA H 26 4.223 4.223 3.992 0.231 25437 11328 1 19 . 1 1 26 26 ARG CA C 26 57.097 57.097 59.172 -2.075 25437 11329 1 19 . 1 1 26 26 ARG CB C 26 28.888 28.888 30.132 -1.244 25437 11330 1 19 . 1 1 26 26 ARG H H 26 7.703 7.703 8.030 -0.327 25437 11331 1 19 . 1 1 27 27 ALA N N 27 122.041 122.041 122.600 -0.559 25437 11332 1 19 . 1 1 27 27 ALA HA H 27 3.611 3.611 3.902 -0.291 25437 11333 1 19 . 1 1 27 27 ALA CA C 27 55.249 55.249 54.828 0.421 25437 11334 1 19 . 1 1 27 27 ALA CB C 27 15.829 15.829 17.651 -1.822 25437 11335 1 19 . 1 1 27 27 ALA H H 27 8.754 8.754 8.117 0.637 25437 11336 1 19 . 1 1 28 28 LEU N N 28 117.421 117.421 118.522 -1.101 25437 11337 1 19 . 1 1 28 28 LEU HA H 28 4.053 4.053 4.124 -0.071 25437 11338 1 19 . 1 1 28 28 LEU CA C 28 57.757 57.757 58.244 -0.487 25437 11339 1 19 . 1 1 28 28 LEU CB C 28 40.351 40.351 42.000 -1.649 25437 11340 1 19 . 1 1 28 28 LEU H H 28 7.657 7.657 7.951 -0.294 25437 11341 1 19 . 1 1 29 29 GLU N N 29 114.911 114.911 117.601 -2.690 25437 11342 1 19 . 1 1 29 29 GLU HA H 29 4.023 4.023 4.113 -0.090 25437 11343 1 19 . 1 1 29 29 GLU CA C 29 58.489 58.489 58.028 0.461 25437 11344 1 19 . 1 1 29 29 GLU CB C 29 29.540 29.540 30.082 -0.542 25437 11345 1 19 . 1 1 29 29 GLU H H 29 7.039 7.039 7.407 -0.368 25437 11346 1 19 . 1 1 30 30 LEU N N 30 117.166 117.166 118.831 -1.665 25437 11347 1 19 . 1 1 30 30 LEU HA H 30 4.281 4.281 3.991 0.290 25437 11348 1 19 . 1 1 30 30 LEU CA C 30 55.266 55.266 56.620 -1.354 25437 11349 1 19 . 1 1 30 30 LEU CB C 30 44.403 44.403 42.342 2.061 25437 11350 1 19 . 1 1 30 30 LEU H H 30 7.353 7.353 7.990 -0.637 25437 11351 1 19 . 1 1 31 31 SER N N 31 116.260 116.260 114.428 1.832 25437 11352 1 19 . 1 1 31 31 SER HA H 31 4.557 4.557 4.205 0.352 25437 11353 1 19 . 1 1 31 31 SER CA C 31 55.723 55.723 57.279 -1.556 25437 11354 1 19 . 1 1 31 31 SER CB C 31 65.560 65.560 64.059 1.500 25437 11355 1 19 . 1 1 31 31 SER H H 31 7.742 7.742 7.892 -0.150 25437 11356 1 19 . 1 1 32 32 PRO HA H 32 4.609 4.609 4.176 0.433 25437 11357 1 19 . 1 1 32 32 PRO CA C 32 63.483 63.483 63.777 -0.294 25437 11358 1 19 . 1 1 32 32 PRO CB C 32 31.236 31.236 31.441 -0.204 25437 11359 1 19 . 1 1 33 33 TYR N N 33 114.714 114.714 116.969 -2.255 25437 11360 1 19 . 1 1 33 33 TYR HA H 33 4.710 4.710 4.723 -0.013 25437 11361 1 19 . 1 1 33 33 TYR CA C 33 56.742 56.742 55.109 1.633 25437 11362 1 19 . 1 1 33 33 TYR CB C 33 41.506 41.506 39.480 2.026 25437 11363 1 19 . 1 1 33 33 TYR H H 33 7.727 7.727 7.014 0.713 25437 11364 1 19 . 1 1 34 34 ASP N N 34 125.197 125.197 119.582 5.615 25437 11365 1 19 . 1 1 34 34 ASP HA H 34 3.524 3.524 4.502 -0.978 25437 11366 1 19 . 1 1 34 34 ASP CA C 34 52.353 52.353 54.307 -1.954 25437 11367 1 19 . 1 1 34 34 ASP CB C 34 37.720 37.720 41.466 -3.746 25437 11368 1 19 . 1 1 34 34 ASP H H 34 8.630 8.630 8.818 -0.188 25437 11369 1 19 . 1 1 35 35 PHE N N 35 115.803 115.803 113.133 2.670 25437 11370 1 19 . 1 1 35 35 PHE HA H 35 5.131 5.131 5.414 -0.283 25437 11371 1 19 . 1 1 35 35 PHE CA C 35 55.839 55.839 56.151 -0.312 25437 11372 1 19 . 1 1 35 35 PHE CB C 35 40.751 40.751 42.820 -2.069 25437 11373 1 19 . 1 1 35 35 PHE H H 35 7.250 7.250 7.924 -0.674 25437 11374 1 19 . 1 1 36 36 THR N N 36 113.338 113.338 117.384 -4.046 25437 11375 1 19 . 1 1 36 36 THR HA H 36 4.769 4.769 4.404 0.365 25437 11376 1 19 . 1 1 36 36 THR CA C 36 58.833 58.833 59.324 -0.491 25437 11377 1 19 . 1 1 36 36 THR CB C 36 71.387 71.387 69.817 1.570 25437 11378 1 19 . 1 1 36 36 THR H H 36 9.026 9.026 8.909 0.117 25437 11379 1 19 . 1 1 37 37 ILE N N 37 124.219 124.219 128.073 -3.854 25437 11380 1 19 . 1 1 37 37 ILE HA H 37 4.676 4.676 4.278 0.398 25437 11381 1 19 . 1 1 37 37 ILE CA C 37 58.395 58.395 62.062 -3.667 25437 11382 1 19 . 1 1 37 37 ILE CB C 37 34.649 34.649 37.764 -3.115 25437 11383 1 19 . 1 1 37 37 ILE H H 37 8.476 8.476 9.047 -0.571 25437 11384 1 19 . 1 1 38 38 VAL N N 38 124.271 124.271 126.430 -2.159 25437 11385 1 19 . 1 1 38 38 VAL HA H 38 3.981 3.981 4.208 -0.227 25437 11386 1 19 . 1 1 38 38 VAL CA C 38 63.144 63.144 63.338 -0.194 25437 11387 1 19 . 1 1 38 38 VAL CB C 38 32.658 32.658 33.036 -0.378 25437 11388 1 19 . 1 1 38 38 VAL H H 38 8.640 8.640 8.575 0.065 25437 11389 1 19 . 1 1 39 39 GLN N N 39 115.210 115.210 117.926 -2.716 25437 11390 1 19 . 1 1 39 39 GLN HA H 39 4.378 4.378 4.685 -0.307 25437 11391 1 19 . 1 1 39 39 GLN CA C 39 56.197 56.197 55.188 1.009 25437 11392 1 19 . 1 1 39 39 GLN CB C 39 33.463 33.463 31.694 1.769 25437 11393 1 19 . 1 1 39 39 GLN H H 39 7.305 7.305 7.884 -0.579 25437 11394 1 19 . 1 1 40 40 GLY N N 40 116.022 116.022 112.142 3.880 25437 11395 1 19 . 1 1 40 40 GLY CA C 40 45.347 45.347 45.180 0.167 25437 11396 1 19 . 1 1 40 40 GLY H H 40 8.851 8.851 8.972 -0.121 25437 11397 1 19 . 1 1 41 41 ILE N N 41 132.358 132.358 120.063 12.295 25437 11398 1 19 . 1 1 41 41 ILE HA H 41 4.715 4.715 4.482 0.233 25437 11399 1 19 . 1 1 41 41 ILE CA C 41 61.575 61.575 58.965 2.610 25437 11400 1 19 . 1 1 41 41 ILE CB C 41 38.774 38.774 42.117 -3.344 25437 11401 1 19 . 1 1 41 41 ILE H H 41 8.776 8.776 7.890 0.886 25437 11402 1 19 . 1 1 42 42 ARG N N 42 123.358 123.358 126.697 -3.339 25437 11403 1 19 . 1 1 42 42 ARG HA H 42 4.725 4.725 4.653 0.072 25437 11404 1 19 . 1 1 42 42 ARG CA C 42 54.576 54.576 54.884 -0.308 25437 11405 1 19 . 1 1 42 42 ARG CB C 42 33.425 33.425 30.681 2.744 25437 11406 1 19 . 1 1 42 42 ARG H H 42 7.154 7.154 8.516 -1.362 25437 11407 1 19 . 1 1 43 43 THR N N 43 115.494 115.494 117.564 -2.070 25437 11408 1 19 . 1 1 43 43 THR HA H 43 4.539 4.539 4.346 0.193 25437 11409 1 19 . 1 1 43 43 THR CA C 43 61.022 61.022 61.035 -0.014 25437 11410 1 19 . 1 1 43 43 THR CB C 43 70.577 70.577 69.448 1.129 25437 11411 1 19 . 1 1 43 43 THR H H 43 8.519 8.519 8.461 0.058 25437 11412 1 19 . 1 1 44 44 VAL N N 44 121.526 121.526 115.776 5.750 25437 11413 1 19 . 1 1 44 44 VAL HA H 44 3.956 3.956 4.129 -0.173 25437 11414 1 19 . 1 1 44 44 VAL CA C 44 63.977 63.977 63.933 0.044 25437 11415 1 19 . 1 1 44 44 VAL CB C 44 32.313 32.313 31.062 1.251 25437 11416 1 19 . 1 1 44 44 VAL H H 44 8.516 8.516 8.271 0.245 25437 11417 1 19 . 1 1 45 45 ALA N N 45 125.457 125.457 121.675 3.782 25437 11418 1 19 . 1 1 45 45 ALA HA H 45 4.260 4.260 4.478 -0.218 25437 11419 1 19 . 1 1 45 45 ALA CA C 45 53.278 53.278 53.212 0.066 25437 11420 1 19 . 1 1 45 45 ALA CB C 45 18.641 18.641 19.526 -0.885 25437 11421 1 19 . 1 1 45 45 ALA H H 45 8.311 8.311 7.961 0.350 25437 11422 1 19 . 1 1 46 46 GLN N N 46 118.271 118.271 119.813 -1.542 25437 11423 1 19 . 1 1 46 46 GLN HA H 46 4.232 4.232 4.096 0.136 25437 11424 1 19 . 1 1 46 46 GLN CA C 46 56.717 56.717 58.125 -1.408 25437 11425 1 19 . 1 1 46 46 GLN CB C 46 28.901 28.901 28.208 0.693 25437 11426 1 19 . 1 1 46 46 GLN H H 46 8.109 8.109 7.908 0.201 25437 11427 1 19 . 1 1 47 47 SER N N 47 116.127 116.127 113.628 2.499 25437 11428 1 19 . 1 1 47 47 SER HA H 47 4.361 4.361 4.427 -0.066 25437 11429 1 19 . 1 1 47 47 SER CA C 47 59.082 59.082 60.375 -1.293 25437 11430 1 19 . 1 1 47 47 SER CB C 47 64.009 64.009 63.102 0.907 25437 11431 1 19 . 1 1 47 47 SER H H 47 8.199 8.199 8.194 0.005 25437 11432 1 19 . 1 1 48 48 ALA N N 48 124.628 124.628 122.996 1.632 25437 11433 1 19 . 1 1 48 48 ALA HA H 48 4.253 4.253 4.295 -0.042 25437 11434 1 19 . 1 1 48 48 ALA CA C 48 53.325 53.325 53.898 -0.573 25437 11435 1 19 . 1 1 48 48 ALA CB C 48 18.552 18.552 18.844 -0.292 25437 11436 1 19 . 1 1 48 48 ALA H H 48 8.315 8.315 8.209 0.106 25437 11437 1 19 . 1 1 49 49 GLN N N 49 119.160 119.160 118.186 0.974 25437 11438 1 19 . 1 1 49 49 GLN HA H 49 4.232 4.232 4.227 0.005 25437 11439 1 19 . 1 1 49 49 GLN CA C 49 56.850 56.850 56.692 0.158 25437 11440 1 19 . 1 1 49 49 GLN CB C 49 28.992 28.992 28.489 0.503 25437 11441 1 19 . 1 1 49 49 GLN H H 49 8.153 8.153 7.893 0.260 25437 11442 1 19 . 1 1 50 50 ASN N N 50 119.112 119.112 119.621 -0.509 25437 11443 1 19 . 1 1 50 50 ASN HA H 50 4.660 4.660 4.461 0.199 25437 11444 1 19 . 1 1 50 50 ASN CA C 50 53.572 53.572 56.389 -2.817 25437 11445 1 19 . 1 1 50 50 ASN CB C 50 38.376 38.376 38.387 -0.011 25437 11446 1 19 . 1 1 50 50 ASN H H 50 8.205 8.205 8.066 0.139 25437 11447 1 19 . 1 1 51 51 ILE N N 51 120.639 120.639 114.811 5.828 25437 11448 1 19 . 1 1 51 51 ILE HA H 51 4.095 4.095 4.073 0.022 25437 11449 1 19 . 1 1 51 51 ILE CA C 51 61.954 61.954 61.841 0.113 25437 11450 1 19 . 1 1 51 51 ILE CB C 51 38.414 38.414 36.700 1.714 25437 11451 1 19 . 1 1 51 51 ILE H H 51 7.939 7.939 7.339 0.600 25437 11452 1 19 . 1 1 52 52 ALA N N 52 126.459 126.459 123.955 2.504 25437 11453 1 19 . 1 1 52 52 ALA HA H 52 4.246 4.246 4.398 -0.152 25437 11454 1 19 . 1 1 52 52 ALA CA C 52 53.189 53.189 51.613 1.576 25437 11455 1 19 . 1 1 52 52 ALA CB C 52 18.453 18.453 17.276 1.177 25437 11456 1 19 . 1 1 52 52 ALA H H 52 8.251 8.251 8.315 -0.064 25437 11457 1 19 . 1 1 53 53 ASN N N 53 116.801 116.801 117.966 -1.165 25437 11458 1 19 . 1 1 53 53 ASN HA H 53 4.648 4.648 4.708 -0.060 25437 11459 1 19 . 1 1 53 53 ASN CA C 53 53.425 53.425 54.164 -0.739 25437 11460 1 19 . 1 1 53 53 ASN CB C 53 38.600 38.600 39.319 -0.719 25437 11461 1 19 . 1 1 53 53 ASN H H 53 8.230 8.230 8.110 0.120 25437 11462 1 19 . 1 1 54 54 GLY N N 54 108.549 108.549 106.499 2.050 25437 11463 1 19 . 1 1 54 54 GLY CA C 54 45.746 45.746 45.311 0.435 25437 11464 1 19 . 1 1 54 54 GLY H H 54 8.191 8.191 8.474 -0.283 25437 11465 1 19 . 1 1 55 55 THR N N 55 112.528 112.528 113.900 -1.372 25437 11466 1 19 . 1 1 55 55 THR HA H 55 4.282 4.282 4.649 -0.367 25437 11467 1 19 . 1 1 55 55 THR CA C 55 62.118 62.118 60.589 1.529 25437 11468 1 19 . 1 1 55 55 THR CB C 55 69.796 69.796 70.578 -0.782 25437 11469 1 19 . 1 1 55 55 THR H H 55 8.003 8.003 7.771 0.232 25437 11470 1 19 . 1 1 56 56 SER N N 56 116.986 116.986 119.903 -2.917 25437 11471 1 19 . 1 1 56 56 SER HA H 56 4.362 4.362 4.602 -0.240 25437 11472 1 19 . 1 1 56 56 SER CA C 56 58.454 58.454 59.462 -1.008 25437 11473 1 19 . 1 1 56 56 SER CB C 56 63.762 63.762 63.549 0.213 25437 11474 1 19 . 1 1 56 56 SER H H 56 8.043 8.043 8.796 -0.752 25437 11475 1 19 . 1 1 57 57 PHE N N 57 121.981 121.981 121.705 0.276 25437 11476 1 19 . 1 1 57 57 PHE HA H 57 4.579 4.579 4.267 0.312 25437 11477 1 19 . 1 1 57 57 PHE CA C 57 57.929 57.929 61.109 -3.180 25437 11478 1 19 . 1 1 57 57 PHE CB C 57 39.068 39.068 39.348 -0.280 25437 11479 1 19 . 1 1 57 57 PHE H H 57 8.120 8.120 7.918 0.202 25437 11480 1 19 . 1 1 58 58 LEU N N 58 121.621 121.621 117.846 3.775 25437 11481 1 19 . 1 1 58 58 LEU HA H 58 4.174 4.174 4.459 -0.285 25437 11482 1 19 . 1 1 58 58 LEU CA C 58 55.350 55.350 54.123 1.227 25437 11483 1 19 . 1 1 58 58 LEU CB C 58 42.340 42.340 41.058 1.282 25437 11484 1 19 . 1 1 58 58 LEU H H 58 7.806 7.806 7.810 -0.004 25437 11485 1 19 . 1 1 59 59 LYS N N 59 120.388 120.388 122.493 -2.105 25437 11486 1 19 . 1 1 59 59 LYS HA H 59 4.230 4.230 4.265 -0.035 25437 11487 1 19 . 1 1 59 59 LYS CA C 59 55.823 55.823 56.786 -0.963 25437 11488 1 19 . 1 1 59 59 LYS CB C 59 32.616 32.616 31.619 0.997 25437 11489 1 19 . 1 1 59 59 LYS H H 59 8.068 8.068 7.593 0.475 25437 11490 1 19 . 1 1 60 60 ASP N N 60 121.094 121.094 122.929 -1.835 25437 11491 1 19 . 1 1 60 60 ASP HA H 60 4.828 4.828 4.885 -0.057 25437 11492 1 19 . 1 1 60 60 ASP CA C 60 53.698 53.698 53.194 0.504 25437 11493 1 19 . 1 1 60 60 ASP CB C 60 41.652 41.652 40.091 1.561 25437 11494 1 19 . 1 1 60 60 ASP H H 60 7.959 7.959 8.076 -0.117 25437 11495 1 19 . 1 1 61 61 PRO HA H 61 4.388 4.388 4.289 0.099 25437 11496 1 19 . 1 1 61 61 PRO CA C 61 63.263 63.263 64.844 -1.581 25437 11497 1 19 . 1 1 61 61 PRO CB C 61 31.697 31.697 32.016 -0.319 25437 11498 1 19 . 1 1 62 62 SER N N 62 115.353 115.353 112.042 3.311 25437 11499 1 19 . 1 1 62 62 SER HA H 62 4.365 4.365 4.206 0.159 25437 11500 1 19 . 1 1 62 62 SER CA C 62 59.258 59.258 59.966 -0.708 25437 11501 1 19 . 1 1 62 62 SER CB C 62 63.634 63.634 62.149 1.485 25437 11502 1 19 . 1 1 62 62 SER H H 62 8.420 8.420 8.522 -0.102 25437 11503 1 19 . 1 1 63 63 LYS N N 63 122.360 122.360 120.266 2.094 25437 11504 1 19 . 1 1 63 63 LYS HA H 63 4.266 4.266 4.129 0.137 25437 11505 1 19 . 1 1 63 63 LYS CA C 63 56.628 56.628 57.740 -1.112 25437 11506 1 19 . 1 1 63 63 LYS CB C 63 29.327 29.327 32.412 -3.085 25437 11507 1 19 . 1 1 63 63 LYS H H 63 8.405 8.405 7.500 0.905 25437 11508 1 19 . 1 1 65 65 LYS N N 65 125.418 125.418 118.861 6.557 25437 11509 1 19 . 1 1 65 65 LYS HA H 65 4.146 4.146 4.791 -0.645 25437 11510 1 19 . 1 1 65 65 LYS CA C 65 63.350 63.350 57.566 5.784 25437 11511 1 19 . 1 1 65 65 LYS CB C 65 31.891 31.891 33.447 -1.556 25437 11512 1 19 . 1 1 65 65 LYS H H 65 8.369 8.369 8.767 -0.398 25437 11513 1 19 . 1 1 66 66 HIS N N 66 121.236 121.236 119.509 1.727 25437 11514 1 19 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.414 0.131 25437 11515 1 19 . 1 1 66 66 HIS CA C 66 59.256 59.256 59.883 -0.627 25437 11516 1 19 . 1 1 66 66 HIS CB C 66 28.619 28.619 29.723 -1.104 25437 11517 1 19 . 1 1 66 66 HIS H H 66 8.758 8.758 8.222 0.536 25437 11518 1 19 . 1 1 67 67 ILE N N 67 120.137 120.137 117.437 2.700 25437 11519 1 19 . 1 1 67 67 ILE HA H 67 4.372 4.372 3.912 0.460 25437 11520 1 19 . 1 1 67 67 ILE CA C 67 63.961 63.961 64.633 -0.672 25437 11521 1 19 . 1 1 67 67 ILE CB C 67 37.935 37.935 37.612 0.323 25437 11522 1 19 . 1 1 67 67 ILE H H 67 7.849 7.849 8.512 -0.663 25437 11523 1 19 . 1 1 68 68 THR N N 68 104.067 104.067 108.823 -4.756 25437 11524 1 19 . 1 1 68 68 THR HA H 68 4.397 4.397 4.295 0.102 25437 11525 1 19 . 1 1 68 68 THR CA C 68 61.343 61.343 62.023 -0.680 25437 11526 1 19 . 1 1 68 68 THR CB C 68 68.473 68.473 68.493 -0.020 25437 11527 1 19 . 1 1 68 68 THR H H 68 7.168 7.168 7.588 -0.420 25437 11528 1 19 . 1 1 69 69 GLY N N 69 107.308 107.308 110.236 -2.928 25437 11529 1 19 . 1 1 69 69 GLY CA C 69 46.665 46.665 46.389 0.276 25437 11530 1 19 . 1 1 69 69 GLY H H 69 7.169 7.169 7.748 -0.579 25437 11531 1 19 . 1 1 70 70 ASP N N 70 114.629 114.629 117.096 -2.467 25437 11532 1 19 . 1 1 70 70 ASP HA H 70 4.734 4.734 4.579 0.155 25437 11533 1 19 . 1 1 70 70 ASP CA C 70 54.627 54.627 53.587 1.040 25437 11534 1 19 . 1 1 70 70 ASP CB C 70 44.451 44.451 41.530 2.921 25437 11535 1 19 . 1 1 70 70 ASP H H 70 7.644 7.644 7.786 -0.142 25437 11536 1 19 . 1 1 71 71 ALA N N 71 118.917 118.917 119.275 -0.358 25437 11537 1 19 . 1 1 71 71 ALA HA H 71 5.062 5.062 5.068 -0.006 25437 11538 1 19 . 1 1 71 71 ALA CA C 71 51.498 51.498 51.419 0.079 25437 11539 1 19 . 1 1 71 71 ALA CB C 71 21.994 21.994 21.772 0.222 25437 11540 1 19 . 1 1 71 71 ALA H H 71 7.529 7.529 7.306 0.223 25437 11541 1 19 . 1 1 72 72 ILE N N 72 110.818 110.818 113.386 -2.568 25437 11542 1 19 . 1 1 72 72 ILE HA H 72 5.249 5.249 4.519 0.730 25437 11543 1 19 . 1 1 72 72 ILE CA C 72 58.821 58.821 60.353 -1.532 25437 11544 1 19 . 1 1 72 72 ILE CB C 72 43.709 43.709 42.106 1.603 25437 11545 1 19 . 1 1 72 72 ILE H H 72 8.449 8.449 8.678 -0.229 25437 11546 1 19 . 1 1 73 73 ASP N N 73 117.790 117.790 121.431 -3.641 25437 11547 1 19 . 1 1 73 73 ASP HA H 73 6.094 6.094 5.540 0.554 25437 11548 1 19 . 1 1 73 73 ASP CA C 73 52.090 52.090 53.040 -0.950 25437 11549 1 19 . 1 1 73 73 ASP CB C 73 42.655 42.655 45.071 -2.416 25437 11550 1 19 . 1 1 73 73 ASP H H 73 8.442 8.442 8.859 -0.417 25437 11551 1 19 . 1 1 74 74 PHE N N 74 122.479 122.479 121.804 0.675 25437 11552 1 19 . 1 1 74 74 PHE HA H 74 6.173 6.173 5.353 0.820 25437 11553 1 19 . 1 1 74 74 PHE CA C 74 54.775 54.775 55.923 -1.148 25437 11554 1 19 . 1 1 74 74 PHE CB C 74 44.115 44.115 42.592 1.523 25437 11555 1 19 . 1 1 74 74 PHE H H 74 9.463 9.463 9.024 0.439 25437 11556 1 19 . 1 1 75 75 ALA N N 75 118.862 118.862 121.228 -2.366 25437 11557 1 19 . 1 1 75 75 ALA HA H 75 4.453 4.453 4.439 0.014 25437 11558 1 19 . 1 1 75 75 ALA CA C 75 50.134 50.134 49.137 0.997 25437 11559 1 19 . 1 1 75 75 ALA CB C 75 21.020 21.020 21.534 -0.514 25437 11560 1 19 . 1 1 75 75 ALA H H 75 8.575 8.575 8.982 -0.407 25437 11561 1 19 . 1 1 76 76 PRO HA H 76 4.466 4.466 4.606 -0.140 25437 11562 1 19 . 1 1 76 76 PRO CA C 76 62.353 62.353 62.820 -0.467 25437 11563 1 19 . 1 1 76 76 PRO CB C 76 32.135 32.135 31.157 0.978 25437 11564 1 19 . 1 1 77 77 TYR N N 77 126.211 126.211 125.976 0.235 25437 11565 1 19 . 1 1 77 77 TYR HA H 77 4.835 4.835 4.590 0.245 25437 11566 1 19 . 1 1 77 77 TYR CA C 77 56.830 56.830 58.933 -2.103 25437 11567 1 19 . 1 1 77 77 TYR CB C 77 40.384 40.384 40.491 -0.107 25437 11568 1 19 . 1 1 77 77 TYR H H 77 8.357 8.357 8.237 0.120 25437 11569 1 19 . 1 1 78 78 ILE N N 78 124.613 124.613 124.144 0.469 25437 11570 1 19 . 1 1 78 78 ILE HA H 78 4.210 4.210 4.293 -0.083 25437 11571 1 19 . 1 1 78 78 ILE CA C 78 59.941 59.941 60.328 -0.387 25437 11572 1 19 . 1 1 78 78 ILE CB C 78 40.652 40.652 41.614 -0.962 25437 11573 1 19 . 1 1 78 78 ILE H H 78 8.334 8.334 8.936 -0.602 25437 11574 1 19 . 1 1 79 79 ASN N N 79 126.361 126.361 125.572 0.789 25437 11575 1 19 . 1 1 79 79 ASN HA H 79 4.339 4.339 4.421 -0.082 25437 11576 1 19 . 1 1 79 79 ASN CA C 79 53.937 53.937 53.802 0.135 25437 11577 1 19 . 1 1 79 79 ASN CB C 79 36.887 36.887 36.478 0.409 25437 11578 1 19 . 1 1 79 79 ASN H H 79 9.444 9.444 9.142 0.302 25437 11579 1 19 . 1 1 80 80 GLY N N 80 102.068 102.068 101.917 0.151 25437 11580 1 19 . 1 1 80 80 GLY CA C 80 45.663 45.663 45.527 0.136 25437 11581 1 19 . 1 1 80 80 GLY H H 80 8.240 8.240 8.862 -0.622 25437 11582 1 19 . 1 1 81 81 LYS N N 81 117.260 117.260 116.830 0.430 25437 11583 1 19 . 1 1 81 81 LYS HA H 81 4.534 4.534 4.358 0.176 25437 11584 1 19 . 1 1 81 81 LYS CA C 81 54.226 54.226 53.328 0.898 25437 11585 1 19 . 1 1 81 81 LYS CB C 81 35.655 35.655 34.900 0.755 25437 11586 1 19 . 1 1 81 81 LYS H H 81 7.046 7.046 7.458 -0.412 25437 11587 1 19 . 1 1 82 82 ILE N N 82 122.347 122.347 120.672 1.675 25437 11588 1 19 . 1 1 82 82 ILE HA H 82 4.091 4.091 3.424 0.667 25437 11589 1 19 . 1 1 82 82 ILE CA C 82 62.621 62.621 62.172 0.449 25437 11590 1 19 . 1 1 82 82 ILE CB C 82 37.833 37.833 37.862 -0.029 25437 11591 1 19 . 1 1 82 82 ILE H H 82 8.418 8.418 8.317 0.101 25437 11592 1 19 . 1 1 83 83 ASP N N 83 128.498 128.498 127.022 1.476 25437 11593 1 19 . 1 1 83 83 ASP HA H 83 4.808 4.808 4.741 0.067 25437 11594 1 19 . 1 1 83 83 ASP CA C 83 51.619 51.619 53.433 -1.814 25437 11595 1 19 . 1 1 83 83 ASP CB C 83 41.079 41.079 40.199 0.880 25437 11596 1 19 . 1 1 83 83 ASP H H 83 8.028 8.028 8.390 -0.362 25437 11597 1 19 . 1 1 84 84 TRP N N 84 121.807 121.807 123.552 -1.745 25437 11598 1 19 . 1 1 84 84 TRP HA H 84 4.574 4.574 4.752 -0.178 25437 11599 1 19 . 1 1 84 84 TRP CA C 84 58.456 58.456 58.453 0.003 25437 11600 1 19 . 1 1 84 84 TRP CB C 84 30.177 30.177 30.705 -0.528 25437 11601 1 19 . 1 1 84 84 TRP H H 84 8.081 8.081 8.065 0.016 25437 11602 1 19 . 1 1 85 85 ASN N N 85 113.227 113.227 117.061 -3.834 25437 11603 1 19 . 1 1 85 85 ASN HA H 85 4.975 4.975 4.769 0.206 25437 11604 1 19 . 1 1 85 85 ASN CA C 85 53.430 53.430 53.786 -0.356 25437 11605 1 19 . 1 1 85 85 ASN CB C 85 40.162 40.162 39.733 0.429 25437 11606 1 19 . 1 1 85 85 ASN H H 85 8.386 8.386 8.291 0.095 25437 11607 1 19 . 1 1 86 86 ASP N N 86 118.821 118.821 121.204 -2.383 25437 11608 1 19 . 1 1 86 86 ASP HA H 86 4.813 4.813 4.830 -0.017 25437 11609 1 19 . 1 1 86 86 ASP CA C 86 52.255 52.255 53.962 -1.707 25437 11610 1 19 . 1 1 86 86 ASP CB C 86 37.613 37.613 40.244 -2.631 25437 11611 1 19 . 1 1 86 86 ASP H H 86 7.405 7.405 8.112 -0.707 25437 11612 1 19 . 1 1 87 87 LEU N N 87 127.177 127.177 124.438 2.739 25437 11613 1 19 . 1 1 87 87 LEU HA H 87 4.055 4.055 4.195 -0.140 25437 11614 1 19 . 1 1 87 87 LEU CA C 87 58.321 58.321 57.277 1.044 25437 11615 1 19 . 1 1 87 87 LEU CB C 87 40.887 40.887 42.309 -1.422 25437 11616 1 19 . 1 1 87 87 LEU H H 87 8.274 8.274 7.923 0.351 25437 11617 1 19 . 1 1 88 88 GLU N N 88 114.132 114.132 119.237 -5.105 25437 11618 1 19 . 1 1 88 88 GLU HA H 88 3.938 3.938 4.294 -0.356 25437 11619 1 19 . 1 1 88 88 GLU CA C 88 59.437 59.437 59.765 -0.328 25437 11620 1 19 . 1 1 88 88 GLU CB C 88 27.987 27.987 29.284 -1.297 25437 11621 1 19 . 1 1 88 88 GLU H H 88 8.257 8.257 8.615 -0.358 25437 11622 1 19 . 1 1 89 89 ALA N N 89 122.075 122.075 120.246 1.829 25437 11623 1 19 . 1 1 89 89 ALA HA H 89 3.799 3.799 4.261 -0.462 25437 11624 1 19 . 1 1 89 89 ALA CA C 89 54.703 54.703 54.117 0.586 25437 11625 1 19 . 1 1 89 89 ALA CB C 89 17.635 17.635 18.445 -0.810 25437 11626 1 19 . 1 1 89 89 ALA H H 89 7.418 7.418 7.561 -0.143 25437 11627 1 19 . 1 1 90 90 PHE N N 90 116.551 116.551 121.290 -4.739 25437 11628 1 19 . 1 1 90 90 PHE HA H 90 4.025 4.025 4.173 -0.148 25437 11629 1 19 . 1 1 90 90 PHE CA C 90 64.150 64.150 61.596 2.554 25437 11630 1 19 . 1 1 90 90 PHE CB C 90 38.965 38.965 39.199 -0.234 25437 11631 1 19 . 1 1 90 90 PHE H H 90 7.777 7.777 7.390 0.387 25437 11632 1 19 . 1 1 91 91 TRP N N 91 119.390 119.390 117.732 1.658 25437 11633 1 19 . 1 1 91 91 TRP HA H 91 4.578 4.578 4.415 0.163 25437 11634 1 19 . 1 1 91 91 TRP CA C 91 59.217 59.217 59.120 0.097 25437 11635 1 19 . 1 1 91 91 TRP CB C 91 29.802 29.802 27.914 1.888 25437 11636 1 19 . 1 1 91 91 TRP H H 91 7.821 7.821 8.266 -0.445 25437 11637 1 19 . 1 1 92 92 ALA N N 92 121.275 121.275 123.834 -2.559 25437 11638 1 19 . 1 1 92 92 ALA HA H 92 4.124 4.124 3.455 0.669 25437 11639 1 19 . 1 1 92 92 ALA CA C 92 55.229 55.229 54.305 0.924 25437 11640 1 19 . 1 1 92 92 ALA CB C 92 18.870 18.870 17.730 1.140 25437 11641 1 19 . 1 1 92 92 ALA H H 92 8.242 8.242 6.987 1.255 25437 11642 1 19 . 1 1 93 93 VAL N N 93 120.454 120.454 118.273 2.181 25437 11643 1 19 . 1 1 93 93 VAL HA H 93 3.600 3.600 3.735 -0.135 25437 11644 1 19 . 1 1 93 93 VAL CA C 93 66.424 66.424 64.449 1.975 25437 11645 1 19 . 1 1 93 93 VAL CB C 93 30.676 30.676 31.503 -0.827 25437 11646 1 19 . 1 1 93 93 VAL H H 93 8.259 8.259 7.707 0.552 25437 11647 1 19 . 1 1 94 94 LYS N N 94 122.098 122.098 120.715 1.383 25437 11648 1 19 . 1 1 94 94 LYS HA H 94 3.690 3.690 3.988 -0.298 25437 11649 1 19 . 1 1 94 94 LYS CA C 94 60.959 60.959 60.107 0.852 25437 11650 1 19 . 1 1 94 94 LYS CB C 94 31.484 31.484 32.186 -0.702 25437 11651 1 19 . 1 1 94 94 LYS H H 94 8.382 8.382 8.072 0.310 25437 11652 1 19 . 1 1 95 95 LYS N N 95 118.030 118.030 118.463 -0.433 25437 11653 1 19 . 1 1 95 95 LYS HA H 95 3.958 3.958 4.258 -0.300 25437 11654 1 19 . 1 1 95 95 LYS CA C 95 59.212 59.212 59.107 0.105 25437 11655 1 19 . 1 1 95 95 LYS CB C 95 31.219 31.219 32.358 -1.139 25437 11656 1 19 . 1 1 95 95 LYS H H 95 7.957 7.957 7.681 0.276 25437 11657 1 19 . 1 1 96 96 ALA N N 96 124.359 124.359 121.020 3.339 25437 11658 1 19 . 1 1 96 96 ALA HA H 96 4.229 4.229 4.137 0.092 25437 11659 1 19 . 1 1 96 96 ALA CA C 96 55.422 55.422 54.706 0.716 25437 11660 1 19 . 1 1 96 96 ALA CB C 96 17.148 17.148 18.053 -0.905 25437 11661 1 19 . 1 1 96 96 ALA H H 96 7.668 7.668 7.644 0.024 25437 11662 1 19 . 1 1 97 97 PHE N N 97 117.446 117.446 119.435 -1.989 25437 11663 1 19 . 1 1 97 97 PHE HA H 97 3.883 3.883 4.128 -0.245 25437 11664 1 19 . 1 1 97 97 PHE CA C 97 63.187 63.187 62.406 0.781 25437 11665 1 19 . 1 1 97 97 PHE CB C 97 40.401 40.401 39.358 1.043 25437 11666 1 19 . 1 1 97 97 PHE H H 97 8.369 8.369 8.172 0.197 25437 11667 1 19 . 1 1 98 98 GLU N N 98 119.148 119.148 117.996 1.152 25437 11668 1 19 . 1 1 98 98 GLU HA H 98 4.140 4.140 3.873 0.267 25437 11669 1 19 . 1 1 98 98 GLU CA C 98 59.610 59.610 59.089 0.521 25437 11670 1 19 . 1 1 98 98 GLU CB C 98 29.444 29.444 28.979 0.465 25437 11671 1 19 . 1 1 98 98 GLU H H 98 8.821 8.821 8.137 0.684 25437 11672 1 19 . 1 1 99 99 GLN N N 99 120.727 120.727 118.014 2.713 25437 11673 1 19 . 1 1 99 99 GLN HA H 99 4.061 4.061 4.206 -0.145 25437 11674 1 19 . 1 1 99 99 GLN CA C 99 59.130 59.130 57.699 1.431 25437 11675 1 19 . 1 1 99 99 GLN CB C 99 27.524 27.524 28.540 -1.016 25437 11676 1 19 . 1 1 99 99 GLN H H 99 8.436 8.436 7.901 0.535 25437 11677 1 19 . 1 1 100 100 ALA N N 100 122.603 122.603 122.529 0.074 25437 11678 1 19 . 1 1 100 100 ALA HA H 100 3.886 3.886 4.090 -0.204 25437 11679 1 19 . 1 1 100 100 ALA CA C 100 55.399 55.399 54.911 0.488 25437 11680 1 19 . 1 1 100 100 ALA CB C 100 19.472 19.472 18.215 1.257 25437 11681 1 19 . 1 1 100 100 ALA H H 100 8.433 8.433 8.142 0.291 25437 11682 1 19 . 1 1 101 101 GLY N N 101 104.253 104.253 105.140 -0.887 25437 11683 1 19 . 1 1 101 101 GLY CA C 101 47.843 47.843 46.551 1.292 25437 11684 1 19 . 1 1 101 101 GLY H H 101 9.035 9.035 8.161 0.874 25437 11685 1 19 . 1 1 102 102 LYS N N 102 121.912 121.912 122.412 -0.500 25437 11686 1 19 . 1 1 102 102 LYS HA H 102 4.116 4.116 4.136 -0.020 25437 11687 1 19 . 1 1 102 102 LYS CA C 102 59.314 59.314 58.895 0.418 25437 11688 1 19 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.289 -0.110 25437 11689 1 19 . 1 1 102 102 LYS H H 102 7.928 7.928 7.409 0.519 25437 11690 1 19 . 1 1 103 103 GLU N N 103 119.382 119.382 118.542 0.840 25437 11691 1 19 . 1 1 103 103 GLU HA H 103 3.989 3.989 4.193 -0.204 25437 11692 1 19 . 1 1 103 103 GLU CA C 103 59.093 59.093 58.460 0.633 25437 11693 1 19 . 1 1 103 103 GLU CB C 103 30.127 30.127 29.462 0.665 25437 11694 1 19 . 1 1 103 103 GLU H H 103 8.406 8.406 7.666 0.740 25437 11695 1 19 . 1 1 104 104 LEU N N 104 115.551 115.551 118.052 -2.501 25437 11696 1 19 . 1 1 104 104 LEU HA H 104 4.360 4.360 4.220 0.140 25437 11697 1 19 . 1 1 104 104 LEU CA C 104 55.185 55.185 55.553 -0.368 25437 11698 1 19 . 1 1 104 104 LEU CB C 104 43.105 43.105 42.391 0.715 25437 11699 1 19 . 1 1 104 104 LEU H H 104 7.999 7.999 8.289 -0.290 25437 11700 1 19 . 1 1 105 105 GLY N N 105 110.561 110.561 105.617 4.944 25437 11701 1 19 . 1 1 105 105 GLY CA C 105 46.480 46.480 45.239 1.241 25437 11702 1 19 . 1 1 105 105 GLY H H 105 7.898 7.898 7.651 0.247 25437 11703 1 19 . 1 1 106 106 ILE N N 106 121.745 121.745 121.678 0.067 25437 11704 1 19 . 1 1 106 106 ILE HA H 106 4.227 4.227 3.990 0.237 25437 11705 1 19 . 1 1 106 106 ILE CA C 106 59.717 59.717 61.541 -1.824 25437 11706 1 19 . 1 1 106 106 ILE CB C 106 41.096 41.096 38.754 2.342 25437 11707 1 19 . 1 1 106 106 ILE H H 106 8.428 8.428 7.782 0.646 25437 11708 1 19 . 1 1 107 107 LYS N N 107 127.736 127.736 126.838 0.898 25437 11709 1 19 . 1 1 107 107 LYS HA H 107 4.275 4.275 4.138 0.137 25437 11710 1 19 . 1 1 107 107 LYS CA C 107 57.224 57.224 57.664 -0.440 25437 11711 1 19 . 1 1 107 107 LYS CB C 107 32.752 32.752 32.694 0.057 25437 11712 1 19 . 1 1 107 107 LYS H H 107 8.489 8.489 8.456 0.033 25437 11713 1 19 . 1 1 108 108 LEU N N 108 122.881 122.881 122.109 0.772 25437 11714 1 19 . 1 1 108 108 LEU HA H 108 5.235 5.235 4.692 0.543 25437 11715 1 19 . 1 1 108 108 LEU CA C 108 53.287 53.287 54.598 -1.311 25437 11716 1 19 . 1 1 108 108 LEU CB C 108 47.016 47.016 44.176 2.840 25437 11717 1 19 . 1 1 108 108 LEU H H 108 8.049 8.049 8.042 0.007 25437 11718 1 19 . 1 1 109 109 ARG N N 109 120.726 120.726 125.476 -4.750 25437 11719 1 19 . 1 1 109 109 ARG HA H 109 4.438 4.438 4.314 0.124 25437 11720 1 19 . 1 1 109 109 ARG CA C 109 55.193 55.193 56.327 -1.134 25437 11721 1 19 . 1 1 109 109 ARG CB C 109 33.519 33.519 33.594 -0.075 25437 11722 1 19 . 1 1 109 109 ARG H H 109 8.736 8.736 7.980 0.756 25437 11723 1 19 . 1 1 110 110 PHE N N 110 121.516 121.516 120.057 1.459 25437 11724 1 19 . 1 1 110 110 PHE HA H 110 5.303 5.303 5.017 0.286 25437 11725 1 19 . 1 1 110 110 PHE CA C 110 56.644 56.644 55.191 1.453 25437 11726 1 19 . 1 1 110 110 PHE CB C 110 40.602 40.602 39.940 0.662 25437 11727 1 19 . 1 1 110 110 PHE H H 110 8.707 8.707 8.175 0.532 25437 11728 1 19 . 1 1 111 111 GLY N N 111 108.992 108.992 108.649 0.343 25437 11729 1 19 . 1 1 111 111 GLY CA C 111 45.604 45.604 45.258 0.346 25437 11730 1 19 . 1 1 111 111 GLY H H 111 7.819 7.819 9.000 -1.181 25437 11731 1 19 . 1 1 112 112 ALA N N 112 111.448 111.448 126.374 -14.926 25437 11732 1 19 . 1 1 112 112 ALA HA H 112 3.858 3.858 4.389 -0.531 25437 11733 1 19 . 1 1 112 112 ALA CA C 112 52.083 52.083 53.767 -1.684 25437 11734 1 19 . 1 1 112 112 ALA CB C 112 18.655 18.655 20.249 -1.594 25437 11735 1 19 . 1 1 112 112 ALA H H 112 7.945 7.945 8.178 -0.233 25437 11736 1 19 . 1 1 113 113 ASP N N 113 106.770 106.770 117.235 -10.465 25437 11737 1 19 . 1 1 113 113 ASP HA H 113 5.157 5.157 4.861 0.296 25437 11738 1 19 . 1 1 113 113 ASP CA C 113 52.285 52.285 54.207 -1.922 25437 11739 1 19 . 1 1 113 113 ASP CB C 113 41.465 41.465 41.601 -0.136 25437 11740 1 19 . 1 1 113 113 ASP H H 113 7.000 7.000 8.531 -1.531 25437 11741 1 19 . 1 1 114 114 TRP N N 114 119.829 119.829 120.127 -0.298 25437 11742 1 19 . 1 1 114 114 TRP HA H 114 4.184 4.184 4.254 -0.070 25437 11743 1 19 . 1 1 114 114 TRP CA C 114 61.455 61.455 60.620 0.835 25437 11744 1 19 . 1 1 114 114 TRP CB C 114 26.427 26.427 29.249 -2.822 25437 11745 1 19 . 1 1 114 114 TRP H H 114 7.589 7.589 8.667 -1.078 25437 11746 1 19 . 1 1 115 115 ASN N N 115 117.900 117.900 115.027 2.873 25437 11747 1 19 . 1 1 115 115 ASN HA H 115 4.548 4.548 4.384 0.164 25437 11748 1 19 . 1 1 115 115 ASN CA C 115 55.955 55.955 55.224 0.731 25437 11749 1 19 . 1 1 115 115 ASN CB C 115 36.818 36.818 37.640 -0.822 25437 11750 1 19 . 1 1 115 115 ASN H H 115 9.503 9.503 8.385 1.118 25437 11751 1 19 . 1 1 116 116 ALA N N 116 123.758 123.758 122.072 1.686 25437 11752 1 19 . 1 1 116 116 ALA HA H 116 4.181 4.181 4.006 0.175 25437 11753 1 19 . 1 1 116 116 ALA CA C 116 53.111 53.111 53.879 -0.768 25437 11754 1 19 . 1 1 116 116 ALA CB C 116 16.596 16.596 18.361 -1.765 25437 11755 1 19 . 1 1 116 116 ALA H H 116 8.079 8.079 7.367 0.712 25437 11756 1 19 . 1 1 117 117 SER N N 117 116.009 116.009 112.821 3.188 25437 11757 1 19 . 1 1 117 117 SER HA H 117 4.417 4.417 4.088 0.329 25437 11758 1 19 . 1 1 117 117 SER CA C 117 59.433 59.433 60.362 -0.929 25437 11759 1 19 . 1 1 117 117 SER CB C 117 65.026 65.026 63.427 1.599 25437 11760 1 19 . 1 1 117 117 SER H H 117 9.460 9.460 7.522 1.938 25437 11761 1 19 . 1 1 118 118 GLY N N 118 115.031 115.031 109.856 5.175 25437 11762 1 19 . 1 1 118 118 GLY CA C 118 45.197 45.197 45.335 -0.138 25437 11763 1 19 . 1 1 118 118 GLY H H 118 10.733 10.733 7.660 3.073 25437 11764 1 19 . 1 1 119 119 ASP N N 119 116.435 116.435 119.567 -3.132 25437 11765 1 19 . 1 1 119 119 ASP HA H 119 4.590 4.590 4.810 -0.220 25437 11766 1 19 . 1 1 119 119 ASP CA C 119 53.181 53.181 52.947 0.234 25437 11767 1 19 . 1 1 119 119 ASP CB C 119 43.864 43.864 42.794 1.070 25437 11768 1 19 . 1 1 119 119 ASP H H 119 7.770 7.770 8.057 -0.287 25437 11769 1 19 . 1 1 120 120 TYR N N 120 120.253 120.253 118.877 1.376 25437 11770 1 19 . 1 1 120 120 TYR HA H 120 6.088 6.088 4.711 1.377 25437 11771 1 19 . 1 1 120 120 TYR CA C 120 56.003 56.003 57.498 -1.495 25437 11772 1 19 . 1 1 120 120 TYR CB C 120 40.371 40.371 38.332 2.039 25437 11773 1 19 . 1 1 120 120 TYR H H 120 6.801 6.801 8.831 -2.030 25437 11774 1 19 . 1 1 121 121 HIS HA H 121 4.537 4.537 4.647 -0.110 25437 11775 1 19 . 1 1 121 121 HIS CA C 121 59.002 59.002 55.832 3.170 25437 11776 1 19 . 1 1 121 121 HIS CB C 121 27.950 27.950 29.475 -1.525 25437 11777 1 19 . 1 1 122 122 ASP N N 122 111.622 111.622 117.940 -6.318 25437 11778 1 19 . 1 1 122 122 ASP HA H 122 4.815 4.815 4.406 0.409 25437 11779 1 19 . 1 1 122 122 ASP CA C 122 51.612 51.612 53.739 -2.127 25437 11780 1 19 . 1 1 122 122 ASP CB C 122 36.980 36.980 39.863 -2.883 25437 11781 1 19 . 1 1 122 122 ASP H H 122 8.154 8.154 8.214 -0.060 25437 11782 1 19 . 1 1 124 124 ILE N N 124 119.763 119.763 117.655 2.108 25437 11783 1 19 . 1 1 124 124 ILE HA H 124 3.843 3.843 3.670 0.173 25437 11784 1 19 . 1 1 124 124 ILE CA C 124 64.714 64.714 63.743 0.970 25437 11785 1 19 . 1 1 124 124 ILE CB C 124 36.859 36.859 37.683 -0.824 25437 11786 1 19 . 1 1 124 124 ILE H H 124 7.639 7.639 7.800 -0.161 25437 11787 1 19 . 1 1 125 125 LYS N N 125 121.010 121.010 117.174 3.836 25437 11788 1 19 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.013 0.096 25437 11789 1 19 . 1 1 125 125 LYS CA C 125 59.241 59.241 58.504 0.737 25437 11790 1 19 . 1 1 125 125 LYS CB C 125 31.985 31.985 31.816 0.169 25437 11791 1 19 . 1 1 125 125 LYS H H 125 7.739 7.739 8.138 -0.399 25437 11792 1 19 . 1 1 126 126 ARG N N 126 115.276 115.276 119.213 -3.937 25437 11793 1 19 . 1 1 126 126 ARG HA H 126 4.338 4.338 4.219 0.119 25437 11794 1 19 . 1 1 126 126 ARG CA C 126 57.189 57.189 55.787 1.402 25437 11795 1 19 . 1 1 126 126 ARG CB C 126 31.015 31.015 30.495 0.520 25437 11796 1 19 . 1 1 126 126 ARG H H 126 7.904 7.904 7.566 0.338 25437 11797 1 19 . 1 1 127 127 GLY N N 127 107.767 107.767 107.310 0.457 25437 11798 1 19 . 1 1 127 127 GLY CA C 127 45.822 45.822 44.722 1.100 25437 11799 1 19 . 1 1 127 127 GLY H H 127 7.912 7.912 7.543 0.369 25437 11800 1 19 . 1 1 128 128 THR N N 128 107.570 107.570 113.428 -5.858 25437 11801 1 19 . 1 1 128 128 THR HA H 128 4.252 4.252 4.534 -0.282 25437 11802 1 19 . 1 1 128 128 THR CA C 128 60.620 60.620 59.672 0.948 25437 11803 1 19 . 1 1 128 128 THR CB C 128 69.224 69.224 70.372 -1.148 25437 11804 1 19 . 1 1 128 128 THR H H 128 8.121 8.121 7.432 0.689 25437 11805 1 19 . 1 1 129 129 TYR N N 129 123.143 123.143 123.032 0.111 25437 11806 1 19 . 1 1 129 129 TYR HA H 129 4.173 4.173 4.637 -0.464 25437 11807 1 19 . 1 1 129 129 TYR CA C 129 61.448 61.448 57.886 3.562 25437 11808 1 19 . 1 1 129 129 TYR CB C 129 38.796 38.796 38.864 -0.068 25437 11809 1 19 . 1 1 129 129 TYR H H 129 7.209 7.209 8.706 -1.497 25437 11810 1 19 . 1 1 130 130 ASP N N 130 117.930 117.930 121.668 -3.738 25437 11811 1 19 . 1 1 130 130 ASP HA H 130 4.641 4.641 4.387 0.254 25437 11812 1 19 . 1 1 130 130 ASP CA C 130 53.440 53.440 55.952 -2.512 25437 11813 1 19 . 1 1 130 130 ASP CB C 130 43.221 43.221 40.058 3.163 25437 11814 1 19 . 1 1 130 130 ASP H H 130 8.216 8.216 7.382 0.834 25437 11815 1 19 . 1 1 132 132 GLY N N 132 107.481 107.481 109.057 -1.576 25437 11816 1 19 . 1 1 132 132 GLY CA C 132 44.013 44.013 44.269 -0.256 25437 11817 1 19 . 1 1 132 132 GLY H H 132 8.304 8.304 7.769 0.535 25437 11818 1 19 . 1 1 133 133 HIS N N 133 117.609 117.609 122.619 -5.010 25437 11819 1 19 . 1 1 133 133 HIS HA H 133 5.430 5.430 4.576 0.854 25437 11820 1 19 . 1 1 133 133 HIS CA C 133 57.155 57.155 57.332 -0.177 25437 11821 1 19 . 1 1 133 133 HIS CB C 133 31.667 31.667 29.296 2.371 25437 11822 1 19 . 1 1 133 133 HIS H H 133 6.942 6.942 7.484 -0.542 25437 11823 1 19 . 1 1 134 134 VAL N N 134 133.201 133.201 122.766 10.435 25437 11824 1 19 . 1 1 134 134 VAL HA H 134 4.254 4.254 4.691 -0.437 25437 11825 1 19 . 1 1 134 134 VAL CA C 134 61.676 61.676 60.859 0.817 25437 11826 1 19 . 1 1 134 134 VAL CB C 134 34.775 34.775 34.214 0.561 25437 11827 1 19 . 1 1 134 134 VAL H H 134 9.127 9.127 8.216 0.911 25437 11828 1 19 . 1 1 135 135 GLU N N 135 119.904 119.904 123.605 -3.701 25437 11829 1 19 . 1 1 135 135 GLU HA H 135 5.458 5.458 5.113 0.345 25437 11830 1 19 . 1 1 135 135 GLU CA C 135 52.126 52.126 53.766 -1.640 25437 11831 1 19 . 1 1 135 135 GLU CB C 135 34.550 34.550 33.793 0.757 25437 11832 1 19 . 1 1 135 135 GLU H H 135 8.501 8.501 8.151 0.350 25437 11833 1 19 . 1 1 136 136 LEU N N 136 119.357 119.357 122.167 -2.810 25437 11834 1 19 . 1 1 136 136 LEU HA H 136 4.432 4.432 4.628 -0.196 25437 11835 1 19 . 1 1 136 136 LEU CA C 136 54.772 54.772 54.833 -0.061 25437 11836 1 19 . 1 1 136 136 LEU CB C 136 42.524 42.524 42.430 0.094 25437 11837 1 19 . 1 1 136 136 LEU H H 136 8.280 8.280 8.696 -0.416 25437 11838 1 20 . 1 1 3 3 PHE N N 3 121.785 121.785 120.484 1.301 25437 11839 1 20 . 1 1 3 3 PHE HA H 3 4.792 4.792 4.313 0.479 25437 11840 1 20 . 1 1 3 3 PHE CA C 3 56.407 56.407 58.122 -1.715 25437 11841 1 20 . 1 1 3 3 PHE CB C 3 40.111 40.111 39.777 0.334 25437 11842 1 20 . 1 1 3 3 PHE H H 3 8.534 8.534 8.187 0.347 25437 11843 1 20 . 1 1 4 4 LYS N N 4 119.409 119.409 122.709 -3.300 25437 11844 1 20 . 1 1 4 4 LYS HA H 4 4.452 4.452 4.025 0.427 25437 11845 1 20 . 1 1 4 4 LYS CA C 4 54.774 54.774 54.193 0.581 25437 11846 1 20 . 1 1 4 4 LYS CB C 4 35.710 35.710 34.453 1.257 25437 11847 1 20 . 1 1 4 4 LYS H H 4 8.367 8.367 7.360 1.007 25437 11848 1 20 . 1 1 5 5 PHE N N 5 124.495 124.495 120.310 4.185 25437 11849 1 20 . 1 1 5 5 PHE HA H 5 4.873 4.873 4.429 0.444 25437 11850 1 20 . 1 1 5 5 PHE CA C 5 58.636 58.636 57.512 1.124 25437 11851 1 20 . 1 1 5 5 PHE CB C 5 39.217 39.217 38.201 1.016 25437 11852 1 20 . 1 1 5 5 PHE H H 5 8.603 8.603 7.783 0.820 25437 11853 1 20 . 1 1 6 6 GLY N N 6 108.622 108.622 112.291 -3.669 25437 11854 1 20 . 1 1 6 6 GLY CA C 6 43.819 43.819 44.750 -0.931 25437 11855 1 20 . 1 1 6 6 GLY H H 6 8.559 8.559 8.091 0.468 25437 11856 1 20 . 1 1 7 7 LYS N N 7 119.341 119.341 121.117 -1.776 25437 11857 1 20 . 1 1 7 7 LYS HA H 7 3.958 3.958 4.005 -0.047 25437 11858 1 20 . 1 1 7 7 LYS CA C 7 60.087 60.087 60.009 0.078 25437 11859 1 20 . 1 1 7 7 LYS CB C 7 32.399 32.399 32.274 0.125 25437 11860 1 20 . 1 1 7 7 LYS H H 7 8.692 8.692 8.666 0.026 25437 11861 1 20 . 1 1 8 8 ASN N N 8 118.555 118.555 115.394 3.161 25437 11862 1 20 . 1 1 8 8 ASN HA H 8 4.551 4.551 4.548 0.003 25437 11863 1 20 . 1 1 8 8 ASN CA C 8 56.776 56.776 55.305 1.471 25437 11864 1 20 . 1 1 8 8 ASN CB C 8 36.961 36.961 38.129 -1.168 25437 11865 1 20 . 1 1 8 8 ASN H H 8 9.185 9.185 8.494 0.691 25437 11866 1 20 . 1 1 9 9 SER N N 9 118.632 118.632 119.064 -0.432 25437 11867 1 20 . 1 1 9 9 SER HA H 9 4.283 4.283 4.197 0.086 25437 11868 1 20 . 1 1 9 9 SER CA C 9 62.790 62.790 62.097 0.693 25437 11869 1 20 . 1 1 9 9 SER CB C 9 62.790 62.790 63.103 -0.313 25437 11870 1 20 . 1 1 9 9 SER H H 9 8.076 8.076 7.968 0.108 25437 11871 1 20 . 1 1 10 10 GLU N N 10 120.882 120.882 120.023 0.859 25437 11872 1 20 . 1 1 10 10 GLU HA H 10 3.977 3.977 3.910 0.067 25437 11873 1 20 . 1 1 10 10 GLU CA C 10 59.409 59.409 59.225 0.184 25437 11874 1 20 . 1 1 10 10 GLU CB C 10 28.556 28.556 28.715 -0.159 25437 11875 1 20 . 1 1 10 10 GLU H H 10 8.351 8.351 8.481 -0.130 25437 11876 1 20 . 1 1 11 11 LYS N N 11 120.030 120.030 120.130 -0.100 25437 11877 1 20 . 1 1 11 11 LYS HA H 11 4.056 4.056 4.107 -0.051 25437 11878 1 20 . 1 1 11 11 LYS CA C 11 59.477 59.477 58.816 0.662 25437 11879 1 20 . 1 1 11 11 LYS CB C 11 32.032 32.032 32.347 -0.315 25437 11880 1 20 . 1 1 11 11 LYS H H 11 7.937 7.937 7.510 0.427 25437 11881 1 20 . 1 1 12 12 GLN N N 12 114.749 114.749 119.625 -4.876 25437 11882 1 20 . 1 1 12 12 GLN HA H 12 4.147 4.147 4.099 0.048 25437 11883 1 20 . 1 1 12 12 GLN CA C 12 57.373 57.373 58.916 -1.542 25437 11884 1 20 . 1 1 12 12 GLN CB C 12 28.511 28.511 28.747 -0.236 25437 11885 1 20 . 1 1 12 12 GLN H H 12 7.562 7.562 8.042 -0.480 25437 11886 1 20 . 1 1 13 13 LEU N N 13 121.751 121.751 118.204 3.547 25437 11887 1 20 . 1 1 13 13 LEU HA H 13 3.880 3.880 4.257 -0.377 25437 11888 1 20 . 1 1 13 13 LEU CA C 13 57.080 57.080 56.326 0.754 25437 11889 1 20 . 1 1 13 13 LEU CB C 13 42.413 42.413 40.571 1.842 25437 11890 1 20 . 1 1 13 13 LEU H H 13 8.725 8.725 8.061 0.664 25437 11891 1 20 . 1 1 14 14 ALA N N 14 116.323 116.323 120.466 -4.143 25437 11892 1 20 . 1 1 14 14 ALA HA H 14 4.070 4.070 4.209 -0.139 25437 11893 1 20 . 1 1 14 14 ALA CA C 14 53.706 53.706 54.031 -0.325 25437 11894 1 20 . 1 1 14 14 ALA CB C 14 18.020 18.020 18.834 -0.814 25437 11895 1 20 . 1 1 14 14 ALA H H 14 7.574 7.574 7.569 0.005 25437 11896 1 20 . 1 1 15 15 THR N N 15 104.034 104.034 109.754 -5.720 25437 11897 1 20 . 1 1 15 15 THR HA H 15 4.431 4.431 4.380 0.052 25437 11898 1 20 . 1 1 15 15 THR CA C 15 62.381 62.381 61.673 0.708 25437 11899 1 20 . 1 1 15 15 THR CB C 15 70.327 70.327 69.480 0.847 25437 11900 1 20 . 1 1 15 15 THR H H 15 7.326 7.326 7.420 -0.094 25437 11901 1 20 . 1 1 16 16 VAL N N 16 112.438 112.438 123.012 -10.574 25437 11902 1 20 . 1 1 16 16 VAL HA H 16 4.922 4.922 3.917 1.005 25437 11903 1 20 . 1 1 16 16 VAL CA C 16 59.661 59.661 62.776 -3.115 25437 11904 1 20 . 1 1 16 16 VAL CB C 16 32.989 32.989 32.815 0.174 25437 11905 1 20 . 1 1 16 16 VAL H H 16 7.164 7.164 7.298 -0.134 25437 11906 1 20 . 1 1 17 17 LYS N N 17 120.729 120.729 128.384 -7.655 25437 11907 1 20 . 1 1 17 17 LYS HA H 17 4.230 4.230 4.385 -0.154 25437 11908 1 20 . 1 1 17 17 LYS CA C 17 55.486 55.486 57.606 -2.120 25437 11909 1 20 . 1 1 17 17 LYS CB C 17 32.079 32.079 30.430 1.649 25437 11910 1 20 . 1 1 17 17 LYS H H 17 8.907 8.907 8.774 0.133 25437 11911 1 20 . 1 1 18 18 PRO HA H 18 4.130 4.130 4.496 -0.366 25437 11912 1 20 . 1 1 18 18 PRO CA C 18 65.813 65.813 63.046 2.767 25437 11913 1 20 . 1 1 18 18 PRO CB C 18 31.864 31.864 31.927 -0.063 25437 11914 1 20 . 1 1 19 19 GLU N N 19 117.608 117.608 118.001 -0.393 25437 11915 1 20 . 1 1 19 19 GLU HA H 19 4.011 4.011 4.449 -0.438 25437 11916 1 20 . 1 1 19 19 GLU CA C 19 61.031 61.031 56.331 4.700 25437 11917 1 20 . 1 1 19 19 GLU CB C 19 29.117 29.117 29.000 0.117 25437 11918 1 20 . 1 1 19 19 GLU H H 19 9.714 9.714 8.707 1.007 25437 11919 1 20 . 1 1 20 20 LEU N N 20 117.938 117.938 118.894 -0.956 25437 11920 1 20 . 1 1 20 20 LEU HA H 20 4.258 4.258 4.025 0.233 25437 11921 1 20 . 1 1 20 20 LEU CA C 20 56.261 56.261 57.958 -1.697 25437 11922 1 20 . 1 1 20 20 LEU CB C 20 41.894 41.894 40.908 0.986 25437 11923 1 20 . 1 1 20 20 LEU H H 20 7.188 7.188 7.844 -0.656 25437 11924 1 20 . 1 1 21 21 GLN N N 21 118.367 118.367 118.611 -0.244 25437 11925 1 20 . 1 1 21 21 GLN HA H 21 3.831 3.831 3.942 -0.111 25437 11926 1 20 . 1 1 21 21 GLN CA C 21 60.100 60.100 58.711 1.389 25437 11927 1 20 . 1 1 21 21 GLN CB C 21 27.745 27.745 27.399 0.346 25437 11928 1 20 . 1 1 21 21 GLN H H 21 7.805 7.805 8.591 -0.786 25437 11929 1 20 . 1 1 22 22 LYS N N 22 116.715 116.715 119.896 -3.181 25437 11930 1 20 . 1 1 22 22 LYS HA H 22 3.962 3.962 3.973 -0.011 25437 11931 1 20 . 1 1 22 22 LYS CA C 22 59.816 59.816 59.483 0.333 25437 11932 1 20 . 1 1 22 22 LYS CB C 22 32.520 32.520 32.027 0.493 25437 11933 1 20 . 1 1 22 22 LYS H H 22 8.143 8.143 7.835 0.308 25437 11934 1 20 . 1 1 23 23 VAL N N 23 118.397 118.397 119.480 -1.083 25437 11935 1 20 . 1 1 23 23 VAL HA H 23 3.591 3.591 3.621 -0.030 25437 11936 1 20 . 1 1 23 23 VAL CA C 23 66.313 66.313 65.960 0.353 25437 11937 1 20 . 1 1 23 23 VAL CB C 23 31.529 31.529 31.219 0.310 25437 11938 1 20 . 1 1 23 23 VAL H H 23 7.715 7.715 7.609 0.106 25437 11939 1 20 . 1 1 24 24 ALA N N 24 121.929 121.929 122.029 -0.100 25437 11940 1 20 . 1 1 24 24 ALA HA H 24 4.024 4.024 3.767 0.257 25437 11941 1 20 . 1 1 24 24 ALA CA C 24 55.444 55.444 55.451 -0.007 25437 11942 1 20 . 1 1 24 24 ALA CB C 24 18.086 18.086 18.408 -0.322 25437 11943 1 20 . 1 1 24 24 ALA H H 24 8.307 8.307 7.518 0.789 25437 11944 1 20 . 1 1 25 25 ARG N N 25 114.491 114.491 119.272 -4.781 25437 11945 1 20 . 1 1 25 25 ARG HA H 25 4.114 4.114 4.222 -0.108 25437 11946 1 20 . 1 1 25 25 ARG CA C 25 60.717 60.717 59.821 0.896 25437 11947 1 20 . 1 1 25 25 ARG CB C 25 29.257 29.257 30.432 -1.175 25437 11948 1 20 . 1 1 25 25 ARG H H 25 8.224 8.224 8.464 -0.240 25437 11949 1 20 . 1 1 26 26 ARG N N 26 119.944 119.944 119.060 0.884 25437 11950 1 20 . 1 1 26 26 ARG HA H 26 4.223 4.223 3.979 0.244 25437 11951 1 20 . 1 1 26 26 ARG CA C 26 57.097 57.097 59.100 -2.003 25437 11952 1 20 . 1 1 26 26 ARG CB C 26 28.888 28.888 30.019 -1.131 25437 11953 1 20 . 1 1 26 26 ARG H H 26 7.703 7.703 8.070 -0.367 25437 11954 1 20 . 1 1 27 27 ALA N N 27 122.041 122.041 122.543 -0.502 25437 11955 1 20 . 1 1 27 27 ALA HA H 27 3.611 3.611 3.888 -0.277 25437 11956 1 20 . 1 1 27 27 ALA CA C 27 55.249 55.249 54.917 0.332 25437 11957 1 20 . 1 1 27 27 ALA CB C 27 15.829 15.829 17.723 -1.894 25437 11958 1 20 . 1 1 27 27 ALA H H 27 8.754 8.754 8.265 0.489 25437 11959 1 20 . 1 1 28 28 LEU N N 28 117.421 117.421 118.272 -0.851 25437 11960 1 20 . 1 1 28 28 LEU HA H 28 4.053 4.053 3.971 0.082 25437 11961 1 20 . 1 1 28 28 LEU CA C 28 57.757 57.757 58.657 -0.900 25437 11962 1 20 . 1 1 28 28 LEU CB C 28 40.351 40.351 41.876 -1.525 25437 11963 1 20 . 1 1 28 28 LEU H H 28 7.657 7.657 7.957 -0.300 25437 11964 1 20 . 1 1 29 29 GLU N N 29 114.911 114.911 117.355 -2.444 25437 11965 1 20 . 1 1 29 29 GLU HA H 29 4.023 4.023 4.098 -0.075 25437 11966 1 20 . 1 1 29 29 GLU CA C 29 58.489 58.489 58.026 0.463 25437 11967 1 20 . 1 1 29 29 GLU CB C 29 29.540 29.540 30.094 -0.554 25437 11968 1 20 . 1 1 29 29 GLU H H 29 7.039 7.039 7.493 -0.454 25437 11969 1 20 . 1 1 30 30 LEU N N 30 117.166 117.166 119.078 -1.912 25437 11970 1 20 . 1 1 30 30 LEU HA H 30 4.281 4.281 4.003 0.278 25437 11971 1 20 . 1 1 30 30 LEU CA C 30 55.266 55.266 56.680 -1.414 25437 11972 1 20 . 1 1 30 30 LEU CB C 30 44.403 44.403 42.380 2.023 25437 11973 1 20 . 1 1 30 30 LEU H H 30 7.353 7.353 8.093 -0.740 25437 11974 1 20 . 1 1 31 31 SER N N 31 116.260 116.260 114.387 1.873 25437 11975 1 20 . 1 1 31 31 SER HA H 31 4.557 4.557 4.176 0.381 25437 11976 1 20 . 1 1 31 31 SER CA C 31 55.723 55.723 57.109 -1.386 25437 11977 1 20 . 1 1 31 31 SER CB C 31 65.560 65.560 64.204 1.356 25437 11978 1 20 . 1 1 31 31 SER H H 31 7.742 7.742 7.880 -0.138 25437 11979 1 20 . 1 1 32 32 PRO HA H 32 4.609 4.609 4.168 0.441 25437 11980 1 20 . 1 1 32 32 PRO CA C 32 63.483 63.483 64.090 -0.606 25437 11981 1 20 . 1 1 32 32 PRO CB C 32 31.236 31.236 31.514 -0.278 25437 11982 1 20 . 1 1 33 33 TYR N N 33 114.714 114.714 118.872 -4.158 25437 11983 1 20 . 1 1 33 33 TYR HA H 33 4.710 4.710 4.641 0.069 25437 11984 1 20 . 1 1 33 33 TYR CA C 33 56.742 56.742 55.147 1.595 25437 11985 1 20 . 1 1 33 33 TYR CB C 33 41.506 41.506 38.740 2.766 25437 11986 1 20 . 1 1 33 33 TYR H H 33 7.727 7.727 7.086 0.641 25437 11987 1 20 . 1 1 34 34 ASP N N 34 125.197 125.197 120.531 4.666 25437 11988 1 20 . 1 1 34 34 ASP HA H 34 3.524 3.524 4.459 -0.935 25437 11989 1 20 . 1 1 34 34 ASP CA C 34 52.353 52.353 54.633 -2.280 25437 11990 1 20 . 1 1 34 34 ASP CB C 34 37.720 37.720 41.626 -3.906 25437 11991 1 20 . 1 1 34 34 ASP H H 34 8.630 8.630 8.829 -0.199 25437 11992 1 20 . 1 1 35 35 PHE N N 35 115.803 115.803 112.953 2.850 25437 11993 1 20 . 1 1 35 35 PHE HA H 35 5.131 5.131 5.487 -0.356 25437 11994 1 20 . 1 1 35 35 PHE CA C 35 55.839 55.839 56.109 -0.270 25437 11995 1 20 . 1 1 35 35 PHE CB C 35 40.751 40.751 42.775 -2.024 25437 11996 1 20 . 1 1 35 35 PHE H H 35 7.250 7.250 7.845 -0.595 25437 11997 1 20 . 1 1 36 36 THR N N 36 113.338 113.338 117.672 -4.334 25437 11998 1 20 . 1 1 36 36 THR HA H 36 4.769 4.769 4.563 0.206 25437 11999 1 20 . 1 1 36 36 THR CA C 36 58.833 58.833 59.937 -1.104 25437 12000 1 20 . 1 1 36 36 THR CB C 36 71.387 71.387 69.778 1.609 25437 12001 1 20 . 1 1 36 36 THR H H 36 9.026 9.026 8.862 0.164 25437 12002 1 20 . 1 1 37 37 ILE N N 37 124.219 124.219 129.613 -5.394 25437 12003 1 20 . 1 1 37 37 ILE HA H 37 4.676 4.676 4.243 0.433 25437 12004 1 20 . 1 1 37 37 ILE CA C 37 58.395 58.395 62.689 -4.294 25437 12005 1 20 . 1 1 37 37 ILE CB C 37 34.649 34.649 37.494 -2.845 25437 12006 1 20 . 1 1 37 37 ILE H H 37 8.476 8.476 9.240 -0.764 25437 12007 1 20 . 1 1 38 38 VAL N N 38 124.271 124.271 126.670 -2.399 25437 12008 1 20 . 1 1 38 38 VAL HA H 38 3.981 3.981 4.269 -0.288 25437 12009 1 20 . 1 1 38 38 VAL CA C 38 63.144 63.144 63.537 -0.393 25437 12010 1 20 . 1 1 38 38 VAL CB C 38 32.658 32.658 32.992 -0.334 25437 12011 1 20 . 1 1 38 38 VAL H H 38 8.640 8.640 8.657 -0.017 25437 12012 1 20 . 1 1 39 39 GLN N N 39 115.210 115.210 116.703 -1.493 25437 12013 1 20 . 1 1 39 39 GLN HA H 39 4.378 4.378 5.021 -0.643 25437 12014 1 20 . 1 1 39 39 GLN CA C 39 56.197 56.197 55.151 1.046 25437 12015 1 20 . 1 1 39 39 GLN CB C 39 33.463 33.463 31.962 1.501 25437 12016 1 20 . 1 1 39 39 GLN H H 39 7.305 7.305 7.776 -0.471 25437 12017 1 20 . 1 1 40 40 GLY N N 40 116.022 116.022 110.377 5.645 25437 12018 1 20 . 1 1 40 40 GLY CA C 40 45.347 45.347 45.616 -0.269 25437 12019 1 20 . 1 1 40 40 GLY H H 40 8.851 8.851 8.458 0.393 25437 12020 1 20 . 1 1 41 41 ILE N N 41 132.358 132.358 120.465 11.893 25437 12021 1 20 . 1 1 41 41 ILE HA H 41 4.715 4.715 4.557 0.158 25437 12022 1 20 . 1 1 41 41 ILE CA C 41 61.575 61.575 59.074 2.501 25437 12023 1 20 . 1 1 41 41 ILE CB C 41 38.774 38.774 41.457 -2.683 25437 12024 1 20 . 1 1 41 41 ILE H H 41 8.776 8.776 8.080 0.696 25437 12025 1 20 . 1 1 42 42 ARG N N 42 123.358 123.358 125.329 -1.971 25437 12026 1 20 . 1 1 42 42 ARG HA H 42 4.725 4.725 4.569 0.156 25437 12027 1 20 . 1 1 42 42 ARG CA C 42 54.576 54.576 55.664 -1.088 25437 12028 1 20 . 1 1 42 42 ARG CB C 42 33.425 33.425 31.591 1.833 25437 12029 1 20 . 1 1 42 42 ARG H H 42 7.154 7.154 8.499 -1.345 25437 12030 1 20 . 1 1 43 43 THR N N 43 115.494 115.494 115.880 -0.386 25437 12031 1 20 . 1 1 43 43 THR HA H 43 4.539 4.539 4.660 -0.121 25437 12032 1 20 . 1 1 43 43 THR CA C 43 61.022 61.022 60.680 0.342 25437 12033 1 20 . 1 1 43 43 THR CB C 43 70.577 70.577 70.024 0.553 25437 12034 1 20 . 1 1 43 43 THR H H 43 8.519 8.519 8.177 0.342 25437 12035 1 20 . 1 1 44 44 VAL N N 44 121.526 121.526 120.181 1.345 25437 12036 1 20 . 1 1 44 44 VAL HA H 44 3.956 3.956 4.060 -0.104 25437 12037 1 20 . 1 1 44 44 VAL CA C 44 63.977 63.977 62.984 0.993 25437 12038 1 20 . 1 1 44 44 VAL CB C 44 32.313 32.313 31.143 1.170 25437 12039 1 20 . 1 1 44 44 VAL H H 44 8.516 8.516 8.221 0.295 25437 12040 1 20 . 1 1 45 45 ALA N N 45 125.457 125.457 121.674 3.783 25437 12041 1 20 . 1 1 45 45 ALA HA H 45 4.260 4.260 4.434 -0.174 25437 12042 1 20 . 1 1 45 45 ALA CA C 45 53.278 53.278 53.016 0.262 25437 12043 1 20 . 1 1 45 45 ALA CB C 45 18.641 18.641 19.721 -1.080 25437 12044 1 20 . 1 1 45 45 ALA H H 45 8.311 8.311 7.841 0.470 25437 12045 1 20 . 1 1 46 46 GLN N N 46 118.271 118.271 119.487 -1.216 25437 12046 1 20 . 1 1 46 46 GLN HA H 46 4.232 4.232 4.192 0.040 25437 12047 1 20 . 1 1 46 46 GLN CA C 46 56.717 56.717 58.269 -1.552 25437 12048 1 20 . 1 1 46 46 GLN CB C 46 28.901 28.901 28.194 0.707 25437 12049 1 20 . 1 1 46 46 GLN H H 46 8.109 8.109 8.345 -0.236 25437 12050 1 20 . 1 1 47 47 SER N N 47 116.127 116.127 114.456 1.671 25437 12051 1 20 . 1 1 47 47 SER HA H 47 4.361 4.361 4.158 0.203 25437 12052 1 20 . 1 1 47 47 SER CA C 47 59.082 59.082 60.076 -0.994 25437 12053 1 20 . 1 1 47 47 SER CB C 47 64.009 64.009 62.916 1.093 25437 12054 1 20 . 1 1 47 47 SER H H 47 8.199 8.199 8.136 0.063 25437 12055 1 20 . 1 1 48 48 ALA N N 48 124.628 124.628 121.767 2.861 25437 12056 1 20 . 1 1 48 48 ALA HA H 48 4.253 4.253 4.378 -0.125 25437 12057 1 20 . 1 1 48 48 ALA CA C 48 53.325 53.325 53.742 -0.417 25437 12058 1 20 . 1 1 48 48 ALA CB C 48 18.552 18.552 19.083 -0.531 25437 12059 1 20 . 1 1 48 48 ALA H H 48 8.315 8.315 7.906 0.409 25437 12060 1 20 . 1 1 49 49 GLN N N 49 119.160 119.160 118.393 0.767 25437 12061 1 20 . 1 1 49 49 GLN HA H 49 4.232 4.232 4.249 -0.017 25437 12062 1 20 . 1 1 49 49 GLN CA C 49 56.850 56.850 56.637 0.213 25437 12063 1 20 . 1 1 49 49 GLN CB C 49 28.992 28.992 28.549 0.443 25437 12064 1 20 . 1 1 49 49 GLN H H 49 8.153 8.153 7.724 0.429 25437 12065 1 20 . 1 1 50 50 ASN N N 50 119.112 119.112 119.772 -0.660 25437 12066 1 20 . 1 1 50 50 ASN HA H 50 4.660 4.660 4.477 0.183 25437 12067 1 20 . 1 1 50 50 ASN CA C 50 53.572 53.572 56.348 -2.776 25437 12068 1 20 . 1 1 50 50 ASN CB C 50 38.376 38.376 38.604 -0.228 25437 12069 1 20 . 1 1 50 50 ASN H H 50 8.205 8.205 8.218 -0.013 25437 12070 1 20 . 1 1 51 51 ILE N N 51 120.639 120.639 117.316 3.323 25437 12071 1 20 . 1 1 51 51 ILE HA H 51 4.095 4.095 4.216 -0.121 25437 12072 1 20 . 1 1 51 51 ILE CA C 51 61.954 61.954 62.110 -0.156 25437 12073 1 20 . 1 1 51 51 ILE CB C 51 38.414 38.414 35.865 2.549 25437 12074 1 20 . 1 1 51 51 ILE H H 51 7.939 7.939 7.416 0.523 25437 12075 1 20 . 1 1 52 52 ALA N N 52 126.459 126.459 124.275 2.184 25437 12076 1 20 . 1 1 52 52 ALA HA H 52 4.246 4.246 3.939 0.307 25437 12077 1 20 . 1 1 52 52 ALA CA C 52 53.189 53.189 54.980 -1.791 25437 12078 1 20 . 1 1 52 52 ALA CB C 52 18.453 18.453 18.179 0.274 25437 12079 1 20 . 1 1 52 52 ALA H H 52 8.251 8.251 8.350 -0.099 25437 12080 1 20 . 1 1 53 53 ASN N N 53 116.801 116.801 116.424 0.377 25437 12081 1 20 . 1 1 53 53 ASN HA H 53 4.648 4.648 4.533 0.115 25437 12082 1 20 . 1 1 53 53 ASN CA C 53 53.425 53.425 54.522 -1.097 25437 12083 1 20 . 1 1 53 53 ASN CB C 53 38.600 38.600 38.837 -0.238 25437 12084 1 20 . 1 1 53 53 ASN H H 53 8.230 8.230 7.724 0.506 25437 12085 1 20 . 1 1 54 54 GLY N N 54 108.549 108.549 105.937 2.612 25437 12086 1 20 . 1 1 54 54 GLY CA C 54 45.746 45.746 44.959 0.787 25437 12087 1 20 . 1 1 54 54 GLY H H 54 8.191 8.191 7.848 0.343 25437 12088 1 20 . 1 1 55 55 THR N N 55 112.528 112.528 114.607 -2.079 25437 12089 1 20 . 1 1 55 55 THR HA H 55 4.282 4.282 4.655 -0.373 25437 12090 1 20 . 1 1 55 55 THR CA C 55 62.118 62.118 61.062 1.056 25437 12091 1 20 . 1 1 55 55 THR CB C 55 69.796 69.796 69.481 0.315 25437 12092 1 20 . 1 1 55 55 THR H H 55 8.003 8.003 7.756 0.247 25437 12093 1 20 . 1 1 56 56 SER N N 56 116.986 116.986 121.930 -4.944 25437 12094 1 20 . 1 1 56 56 SER HA H 56 4.362 4.362 4.435 -0.073 25437 12095 1 20 . 1 1 56 56 SER CA C 56 58.454 58.454 59.183 -0.729 25437 12096 1 20 . 1 1 56 56 SER CB C 56 63.762 63.762 63.377 0.385 25437 12097 1 20 . 1 1 56 56 SER H H 56 8.043 8.043 8.499 -0.456 25437 12098 1 20 . 1 1 57 57 PHE N N 57 121.981 121.981 122.538 -0.557 25437 12099 1 20 . 1 1 57 57 PHE HA H 57 4.579 4.579 4.260 0.319 25437 12100 1 20 . 1 1 57 57 PHE CA C 57 57.929 57.929 60.895 -2.966 25437 12101 1 20 . 1 1 57 57 PHE CB C 57 39.068 39.068 39.188 -0.120 25437 12102 1 20 . 1 1 57 57 PHE H H 57 8.120 8.120 8.358 -0.238 25437 12103 1 20 . 1 1 58 58 LEU N N 58 121.621 121.621 118.302 3.319 25437 12104 1 20 . 1 1 58 58 LEU HA H 58 4.174 4.174 4.513 -0.339 25437 12105 1 20 . 1 1 58 58 LEU CA C 58 55.350 55.350 54.107 1.243 25437 12106 1 20 . 1 1 58 58 LEU CB C 58 42.340 42.340 41.000 1.340 25437 12107 1 20 . 1 1 58 58 LEU H H 58 7.806 7.806 7.814 -0.008 25437 12108 1 20 . 1 1 59 59 LYS N N 59 120.388 120.388 122.697 -2.309 25437 12109 1 20 . 1 1 59 59 LYS HA H 59 4.230 4.230 4.047 0.183 25437 12110 1 20 . 1 1 59 59 LYS CA C 59 55.823 55.823 57.573 -1.750 25437 12111 1 20 . 1 1 59 59 LYS CB C 59 32.616 32.616 31.668 0.948 25437 12112 1 20 . 1 1 59 59 LYS H H 59 8.068 8.068 7.687 0.381 25437 12113 1 20 . 1 1 60 60 ASP N N 60 121.094 121.094 125.245 -4.151 25437 12114 1 20 . 1 1 60 60 ASP HA H 60 4.828 4.828 4.878 -0.050 25437 12115 1 20 . 1 1 60 60 ASP CA C 60 53.698 53.698 53.480 0.218 25437 12116 1 20 . 1 1 60 60 ASP CB C 60 41.652 41.652 42.833 -1.181 25437 12117 1 20 . 1 1 60 60 ASP H H 60 7.959 7.959 8.219 -0.260 25437 12118 1 20 . 1 1 61 61 PRO HA H 61 4.388 4.388 4.539 -0.151 25437 12119 1 20 . 1 1 61 61 PRO CA C 61 63.263 63.263 63.439 -0.176 25437 12120 1 20 . 1 1 61 61 PRO CB C 61 31.697 31.697 29.533 2.164 25437 12121 1 20 . 1 1 62 62 SER N N 62 115.353 115.353 114.750 0.603 25437 12122 1 20 . 1 1 62 62 SER HA H 62 4.365 4.365 4.604 -0.239 25437 12123 1 20 . 1 1 62 62 SER CA C 62 59.258 59.258 57.331 1.927 25437 12124 1 20 . 1 1 62 62 SER CB C 62 63.634 63.634 63.574 0.060 25437 12125 1 20 . 1 1 62 62 SER H H 62 8.420 8.420 8.338 0.082 25437 12126 1 20 . 1 1 63 63 LYS N N 63 122.360 122.360 120.451 1.909 25437 12127 1 20 . 1 1 63 63 LYS HA H 63 4.266 4.266 4.216 0.050 25437 12128 1 20 . 1 1 63 63 LYS CA C 63 56.628 56.628 57.737 -1.109 25437 12129 1 20 . 1 1 63 63 LYS CB C 63 29.327 29.327 32.282 -2.955 25437 12130 1 20 . 1 1 63 63 LYS H H 63 8.405 8.405 8.581 -0.176 25437 12131 1 20 . 1 1 65 65 LYS N N 65 125.418 125.418 120.042 5.376 25437 12132 1 20 . 1 1 65 65 LYS HA H 65 4.146 4.146 4.678 -0.532 25437 12133 1 20 . 1 1 65 65 LYS CA C 65 63.350 63.350 55.623 7.727 25437 12134 1 20 . 1 1 65 65 LYS CB C 65 31.891 31.891 33.010 -1.119 25437 12135 1 20 . 1 1 65 65 LYS H H 65 8.369 8.369 8.838 -0.469 25437 12136 1 20 . 1 1 66 66 HIS N N 66 121.236 121.236 119.815 1.421 25437 12137 1 20 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.397 0.148 25437 12138 1 20 . 1 1 66 66 HIS CA C 66 59.256 59.256 59.521 -0.265 25437 12139 1 20 . 1 1 66 66 HIS CB C 66 28.619 28.619 29.714 -1.095 25437 12140 1 20 . 1 1 66 66 HIS H H 66 8.758 8.758 8.598 0.160 25437 12141 1 20 . 1 1 67 67 ILE N N 67 120.137 120.137 118.880 1.257 25437 12142 1 20 . 1 1 67 67 ILE HA H 67 4.372 4.372 3.972 0.400 25437 12143 1 20 . 1 1 67 67 ILE CA C 67 63.961 63.961 63.966 -0.005 25437 12144 1 20 . 1 1 67 67 ILE CB C 67 37.935 37.935 36.522 1.413 25437 12145 1 20 . 1 1 67 67 ILE H H 67 7.849 7.849 8.429 -0.580 25437 12146 1 20 . 1 1 68 68 THR N N 68 104.067 104.067 109.678 -5.611 25437 12147 1 20 . 1 1 68 68 THR HA H 68 4.397 4.397 4.448 -0.051 25437 12148 1 20 . 1 1 68 68 THR CA C 68 61.343 61.343 61.342 0.001 25437 12149 1 20 . 1 1 68 68 THR CB C 68 68.473 68.473 69.267 -0.794 25437 12150 1 20 . 1 1 68 68 THR H H 68 7.168 7.168 7.688 -0.520 25437 12151 1 20 . 1 1 69 69 GLY N N 69 107.308 107.308 110.800 -3.492 25437 12152 1 20 . 1 1 69 69 GLY CA C 69 46.665 46.665 46.455 0.210 25437 12153 1 20 . 1 1 69 69 GLY H H 69 7.169 7.169 7.672 -0.503 25437 12154 1 20 . 1 1 70 70 ASP N N 70 114.629 114.629 119.642 -5.013 25437 12155 1 20 . 1 1 70 70 ASP HA H 70 4.734 4.734 4.761 -0.027 25437 12156 1 20 . 1 1 70 70 ASP CA C 70 54.627 54.627 54.246 0.381 25437 12157 1 20 . 1 1 70 70 ASP CB C 70 44.451 44.451 41.047 3.404 25437 12158 1 20 . 1 1 70 70 ASP H H 70 7.644 7.644 7.855 -0.211 25437 12159 1 20 . 1 1 71 71 ALA N N 71 118.917 118.917 118.342 0.575 25437 12160 1 20 . 1 1 71 71 ALA HA H 71 5.062 5.062 4.998 0.064 25437 12161 1 20 . 1 1 71 71 ALA CA C 71 51.498 51.498 51.331 0.168 25437 12162 1 20 . 1 1 71 71 ALA CB C 71 21.994 21.994 21.701 0.293 25437 12163 1 20 . 1 1 71 71 ALA H H 71 7.529 7.529 7.376 0.153 25437 12164 1 20 . 1 1 72 72 ILE N N 72 110.818 110.818 113.332 -2.514 25437 12165 1 20 . 1 1 72 72 ILE HA H 72 5.249 5.249 4.450 0.799 25437 12166 1 20 . 1 1 72 72 ILE CA C 72 58.821 58.821 60.379 -1.558 25437 12167 1 20 . 1 1 72 72 ILE CB C 72 43.709 43.709 42.120 1.589 25437 12168 1 20 . 1 1 72 72 ILE H H 72 8.449 8.449 8.669 -0.220 25437 12169 1 20 . 1 1 73 73 ASP N N 73 117.790 117.790 121.444 -3.654 25437 12170 1 20 . 1 1 73 73 ASP HA H 73 6.094 6.094 5.657 0.437 25437 12171 1 20 . 1 1 73 73 ASP CA C 73 52.090 52.090 52.929 -0.839 25437 12172 1 20 . 1 1 73 73 ASP CB C 73 42.655 42.655 45.287 -2.632 25437 12173 1 20 . 1 1 73 73 ASP H H 73 8.442 8.442 8.810 -0.368 25437 12174 1 20 . 1 1 74 74 PHE N N 74 122.479 122.479 120.936 1.543 25437 12175 1 20 . 1 1 74 74 PHE HA H 74 6.173 6.173 5.281 0.892 25437 12176 1 20 . 1 1 74 74 PHE CA C 74 54.775 54.775 56.078 -1.303 25437 12177 1 20 . 1 1 74 74 PHE CB C 74 44.115 44.115 42.469 1.645 25437 12178 1 20 . 1 1 74 74 PHE H H 74 9.463 9.463 8.390 1.073 25437 12179 1 20 . 1 1 75 75 ALA N N 75 118.862 118.862 121.644 -2.782 25437 12180 1 20 . 1 1 75 75 ALA HA H 75 4.453 4.453 4.433 0.020 25437 12181 1 20 . 1 1 75 75 ALA CA C 75 50.134 50.134 48.823 1.311 25437 12182 1 20 . 1 1 75 75 ALA CB C 75 21.020 21.020 21.375 -0.355 25437 12183 1 20 . 1 1 75 75 ALA H H 75 8.575 8.575 8.913 -0.338 25437 12184 1 20 . 1 1 76 76 PRO HA H 76 4.466 4.466 4.610 -0.144 25437 12185 1 20 . 1 1 76 76 PRO CA C 76 62.353 62.353 62.868 -0.515 25437 12186 1 20 . 1 1 76 76 PRO CB C 76 32.135 32.135 31.238 0.897 25437 12187 1 20 . 1 1 77 77 TYR N N 77 126.211 126.211 126.164 0.047 25437 12188 1 20 . 1 1 77 77 TYR HA H 77 4.835 4.835 4.556 0.279 25437 12189 1 20 . 1 1 77 77 TYR CA C 77 56.830 56.830 58.482 -1.652 25437 12190 1 20 . 1 1 77 77 TYR CB C 77 40.384 40.384 40.702 -0.318 25437 12191 1 20 . 1 1 77 77 TYR H H 77 8.357 8.357 8.572 -0.215 25437 12192 1 20 . 1 1 78 78 ILE N N 78 124.613 124.613 123.560 1.053 25437 12193 1 20 . 1 1 78 78 ILE HA H 78 4.210 4.210 4.378 -0.168 25437 12194 1 20 . 1 1 78 78 ILE CA C 78 59.941 59.941 60.564 -0.623 25437 12195 1 20 . 1 1 78 78 ILE CB C 78 40.652 40.652 41.717 -1.065 25437 12196 1 20 . 1 1 78 78 ILE H H 78 8.334 8.334 8.662 -0.328 25437 12197 1 20 . 1 1 79 79 ASN N N 79 126.361 126.361 124.620 1.741 25437 12198 1 20 . 1 1 79 79 ASN HA H 79 4.339 4.339 4.424 -0.085 25437 12199 1 20 . 1 1 79 79 ASN CA C 79 53.937 53.937 53.946 -0.009 25437 12200 1 20 . 1 1 79 79 ASN CB C 79 36.887 36.887 37.703 -0.816 25437 12201 1 20 . 1 1 79 79 ASN H H 79 9.444 9.444 9.129 0.315 25437 12202 1 20 . 1 1 80 80 GLY N N 80 102.068 102.068 101.229 0.839 25437 12203 1 20 . 1 1 80 80 GLY CA C 80 45.663 45.663 45.802 -0.139 25437 12204 1 20 . 1 1 80 80 GLY H H 80 8.240 8.240 8.927 -0.687 25437 12205 1 20 . 1 1 81 81 LYS N N 81 117.260 117.260 116.374 0.886 25437 12206 1 20 . 1 1 81 81 LYS HA H 81 4.534 4.534 4.357 0.177 25437 12207 1 20 . 1 1 81 81 LYS CA C 81 54.226 54.226 53.731 0.495 25437 12208 1 20 . 1 1 81 81 LYS CB C 81 35.655 35.655 35.141 0.514 25437 12209 1 20 . 1 1 81 81 LYS H H 81 7.046 7.046 7.458 -0.412 25437 12210 1 20 . 1 1 82 82 ILE N N 82 122.347 122.347 120.635 1.712 25437 12211 1 20 . 1 1 82 82 ILE HA H 82 4.091 4.091 3.427 0.664 25437 12212 1 20 . 1 1 82 82 ILE CA C 82 62.621 62.621 62.126 0.495 25437 12213 1 20 . 1 1 82 82 ILE CB C 82 37.833 37.833 37.820 0.013 25437 12214 1 20 . 1 1 82 82 ILE H H 82 8.418 8.418 8.297 0.121 25437 12215 1 20 . 1 1 83 83 ASP N N 83 128.498 128.498 127.198 1.300 25437 12216 1 20 . 1 1 83 83 ASP HA H 83 4.808 4.808 4.814 -0.006 25437 12217 1 20 . 1 1 83 83 ASP CA C 83 51.619 51.619 53.055 -1.436 25437 12218 1 20 . 1 1 83 83 ASP CB C 83 41.079 41.079 40.012 1.067 25437 12219 1 20 . 1 1 83 83 ASP H H 83 8.028 8.028 8.371 -0.343 25437 12220 1 20 . 1 1 84 84 TRP N N 84 121.807 121.807 122.798 -0.991 25437 12221 1 20 . 1 1 84 84 TRP HA H 84 4.574 4.574 4.661 -0.087 25437 12222 1 20 . 1 1 84 84 TRP CA C 84 58.456 58.456 58.792 -0.336 25437 12223 1 20 . 1 1 84 84 TRP CB C 84 30.177 30.177 30.005 0.172 25437 12224 1 20 . 1 1 84 84 TRP H H 84 8.081 8.081 7.922 0.159 25437 12225 1 20 . 1 1 85 85 ASN N N 85 113.227 113.227 115.826 -2.599 25437 12226 1 20 . 1 1 85 85 ASN HA H 85 4.975 4.975 4.911 0.064 25437 12227 1 20 . 1 1 85 85 ASN CA C 85 53.430 53.430 52.951 0.479 25437 12228 1 20 . 1 1 85 85 ASN CB C 85 40.162 40.162 39.389 0.773 25437 12229 1 20 . 1 1 85 85 ASN H H 85 8.386 8.386 8.167 0.219 25437 12230 1 20 . 1 1 86 86 ASP N N 86 118.821 118.821 121.540 -2.719 25437 12231 1 20 . 1 1 86 86 ASP HA H 86 4.813 4.813 4.925 -0.112 25437 12232 1 20 . 1 1 86 86 ASP CA C 86 52.255 52.255 53.279 -1.024 25437 12233 1 20 . 1 1 86 86 ASP CB C 86 37.613 37.613 40.733 -3.120 25437 12234 1 20 . 1 1 86 86 ASP H H 86 7.405 7.405 7.733 -0.328 25437 12235 1 20 . 1 1 87 87 LEU N N 87 127.177 127.177 121.039 6.138 25437 12236 1 20 . 1 1 87 87 LEU HA H 87 4.055 4.055 4.262 -0.207 25437 12237 1 20 . 1 1 87 87 LEU CA C 87 58.321 58.321 56.745 1.576 25437 12238 1 20 . 1 1 87 87 LEU CB C 87 40.887 40.887 41.580 -0.693 25437 12239 1 20 . 1 1 87 87 LEU H H 87 8.274 8.274 8.251 0.023 25437 12240 1 20 . 1 1 88 88 GLU N N 88 114.132 114.132 121.287 -7.155 25437 12241 1 20 . 1 1 88 88 GLU HA H 88 3.938 3.938 4.040 -0.102 25437 12242 1 20 . 1 1 88 88 GLU CA C 88 59.437 59.437 59.510 -0.073 25437 12243 1 20 . 1 1 88 88 GLU CB C 88 27.987 27.987 29.093 -1.105 25437 12244 1 20 . 1 1 88 88 GLU H H 88 8.257 8.257 8.539 -0.282 25437 12245 1 20 . 1 1 89 89 ALA N N 89 122.075 122.075 122.107 -0.032 25437 12246 1 20 . 1 1 89 89 ALA HA H 89 3.799 3.799 4.332 -0.533 25437 12247 1 20 . 1 1 89 89 ALA CA C 89 54.703 54.703 54.512 0.191 25437 12248 1 20 . 1 1 89 89 ALA CB C 89 17.635 17.635 17.761 -0.126 25437 12249 1 20 . 1 1 89 89 ALA H H 89 7.418 7.418 8.196 -0.778 25437 12250 1 20 . 1 1 90 90 PHE N N 90 116.551 116.551 118.435 -1.884 25437 12251 1 20 . 1 1 90 90 PHE HA H 90 4.025 4.025 4.300 -0.275 25437 12252 1 20 . 1 1 90 90 PHE CA C 90 64.150 64.150 61.414 2.736 25437 12253 1 20 . 1 1 90 90 PHE CB C 90 38.965 38.965 39.238 -0.273 25437 12254 1 20 . 1 1 90 90 PHE H H 90 7.777 7.777 7.660 0.117 25437 12255 1 20 . 1 1 91 91 TRP N N 91 119.390 119.390 122.666 -3.276 25437 12256 1 20 . 1 1 91 91 TRP HA H 91 4.578 4.578 4.440 0.138 25437 12257 1 20 . 1 1 91 91 TRP CA C 91 59.217 59.217 60.009 -0.792 25437 12258 1 20 . 1 1 91 91 TRP CB C 91 29.802 29.802 29.105 0.697 25437 12259 1 20 . 1 1 91 91 TRP H H 91 7.821 7.821 8.558 -0.737 25437 12260 1 20 . 1 1 92 92 ALA N N 92 121.275 121.275 121.291 -0.016 25437 12261 1 20 . 1 1 92 92 ALA HA H 92 4.124 4.124 3.627 0.497 25437 12262 1 20 . 1 1 92 92 ALA CA C 92 55.229 55.229 54.852 0.377 25437 12263 1 20 . 1 1 92 92 ALA CB C 92 18.870 18.870 17.951 0.919 25437 12264 1 20 . 1 1 92 92 ALA H H 92 8.242 8.242 7.868 0.374 25437 12265 1 20 . 1 1 93 93 VAL N N 93 120.454 120.454 118.808 1.646 25437 12266 1 20 . 1 1 93 93 VAL HA H 93 3.600 3.600 3.683 -0.083 25437 12267 1 20 . 1 1 93 93 VAL CA C 93 66.424 66.424 66.242 0.182 25437 12268 1 20 . 1 1 93 93 VAL CB C 93 30.676 30.676 31.658 -0.982 25437 12269 1 20 . 1 1 93 93 VAL H H 93 8.259 8.259 7.913 0.346 25437 12270 1 20 . 1 1 94 94 LYS N N 94 122.098 122.098 120.056 2.042 25437 12271 1 20 . 1 1 94 94 LYS HA H 94 3.690 3.690 3.739 -0.049 25437 12272 1 20 . 1 1 94 94 LYS CA C 94 60.959 60.959 59.411 1.548 25437 12273 1 20 . 1 1 94 94 LYS CB C 94 31.484 31.484 32.045 -0.561 25437 12274 1 20 . 1 1 94 94 LYS H H 94 8.382 8.382 8.015 0.367 25437 12275 1 20 . 1 1 95 95 LYS N N 95 118.030 118.030 118.332 -0.302 25437 12276 1 20 . 1 1 95 95 LYS HA H 95 3.958 3.958 4.092 -0.134 25437 12277 1 20 . 1 1 95 95 LYS CA C 95 59.212 59.212 58.907 0.305 25437 12278 1 20 . 1 1 95 95 LYS CB C 95 31.219 31.219 32.299 -1.080 25437 12279 1 20 . 1 1 95 95 LYS H H 95 7.957 7.957 8.066 -0.109 25437 12280 1 20 . 1 1 96 96 ALA N N 96 124.359 124.359 121.912 2.447 25437 12281 1 20 . 1 1 96 96 ALA HA H 96 4.229 4.229 4.288 -0.059 25437 12282 1 20 . 1 1 96 96 ALA CA C 96 55.422 55.422 54.637 0.785 25437 12283 1 20 . 1 1 96 96 ALA CB C 96 17.148 17.148 18.347 -1.199 25437 12284 1 20 . 1 1 96 96 ALA H H 96 7.668 7.668 7.657 0.011 25437 12285 1 20 . 1 1 97 97 PHE N N 97 117.446 117.446 119.081 -1.635 25437 12286 1 20 . 1 1 97 97 PHE HA H 97 3.883 3.883 4.175 -0.292 25437 12287 1 20 . 1 1 97 97 PHE CA C 97 63.187 63.187 62.371 0.816 25437 12288 1 20 . 1 1 97 97 PHE CB C 97 40.401 40.401 39.337 1.064 25437 12289 1 20 . 1 1 97 97 PHE H H 97 8.369 8.369 7.802 0.567 25437 12290 1 20 . 1 1 98 98 GLU N N 98 119.148 119.148 118.444 0.704 25437 12291 1 20 . 1 1 98 98 GLU HA H 98 4.140 4.140 3.908 0.232 25437 12292 1 20 . 1 1 98 98 GLU CA C 98 59.610 59.610 59.333 0.277 25437 12293 1 20 . 1 1 98 98 GLU CB C 98 29.444 29.444 29.101 0.343 25437 12294 1 20 . 1 1 98 98 GLU H H 98 8.821 8.821 8.250 0.571 25437 12295 1 20 . 1 1 99 99 GLN N N 99 120.727 120.727 117.575 3.152 25437 12296 1 20 . 1 1 99 99 GLN HA H 99 4.061 4.061 4.156 -0.095 25437 12297 1 20 . 1 1 99 99 GLN CA C 99 59.130 59.130 57.908 1.222 25437 12298 1 20 . 1 1 99 99 GLN CB C 99 27.524 27.524 28.432 -0.908 25437 12299 1 20 . 1 1 99 99 GLN H H 99 8.436 8.436 7.683 0.753 25437 12300 1 20 . 1 1 100 100 ALA N N 100 122.603 122.603 123.250 -0.647 25437 12301 1 20 . 1 1 100 100 ALA HA H 100 3.886 3.886 3.958 -0.072 25437 12302 1 20 . 1 1 100 100 ALA CA C 100 55.399 55.399 54.925 0.474 25437 12303 1 20 . 1 1 100 100 ALA CB C 100 19.472 19.472 17.924 1.548 25437 12304 1 20 . 1 1 100 100 ALA H H 100 8.433 8.433 8.100 0.333 25437 12305 1 20 . 1 1 101 101 GLY N N 101 104.253 104.253 104.558 -0.305 25437 12306 1 20 . 1 1 101 101 GLY CA C 101 47.843 47.843 46.461 1.382 25437 12307 1 20 . 1 1 101 101 GLY H H 101 9.035 9.035 8.288 0.747 25437 12308 1 20 . 1 1 102 102 LYS N N 102 121.912 121.912 121.353 0.559 25437 12309 1 20 . 1 1 102 102 LYS HA H 102 4.116 4.116 4.165 -0.049 25437 12310 1 20 . 1 1 102 102 LYS CA C 102 59.314 59.314 58.653 0.661 25437 12311 1 20 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.336 -0.157 25437 12312 1 20 . 1 1 102 102 LYS H H 102 7.928 7.928 7.642 0.286 25437 12313 1 20 . 1 1 103 103 GLU N N 103 119.382 119.382 118.702 0.680 25437 12314 1 20 . 1 1 103 103 GLU HA H 103 3.989 3.989 4.196 -0.207 25437 12315 1 20 . 1 1 103 103 GLU CA C 103 59.093 59.093 58.466 0.627 25437 12316 1 20 . 1 1 103 103 GLU CB C 103 30.127 30.127 29.555 0.572 25437 12317 1 20 . 1 1 103 103 GLU H H 103 8.406 8.406 7.921 0.485 25437 12318 1 20 . 1 1 104 104 LEU N N 104 115.551 115.551 119.028 -3.477 25437 12319 1 20 . 1 1 104 104 LEU HA H 104 4.360 4.360 4.283 0.077 25437 12320 1 20 . 1 1 104 104 LEU CA C 104 55.185 55.185 55.860 -0.675 25437 12321 1 20 . 1 1 104 104 LEU CB C 104 43.105 43.105 42.305 0.800 25437 12322 1 20 . 1 1 104 104 LEU H H 104 7.999 7.999 8.351 -0.352 25437 12323 1 20 . 1 1 105 105 GLY N N 105 110.561 110.561 106.024 4.537 25437 12324 1 20 . 1 1 105 105 GLY CA C 105 46.480 46.480 45.660 0.820 25437 12325 1 20 . 1 1 105 105 GLY H H 105 7.898 7.898 7.590 0.308 25437 12326 1 20 . 1 1 106 106 ILE N N 106 121.745 121.745 121.686 0.059 25437 12327 1 20 . 1 1 106 106 ILE HA H 106 4.227 4.227 3.979 0.248 25437 12328 1 20 . 1 1 106 106 ILE CA C 106 59.717 59.717 61.401 -1.685 25437 12329 1 20 . 1 1 106 106 ILE CB C 106 41.096 41.096 38.738 2.358 25437 12330 1 20 . 1 1 106 106 ILE H H 106 8.428 8.428 7.768 0.660 25437 12331 1 20 . 1 1 107 107 LYS N N 107 127.736 127.736 126.439 1.297 25437 12332 1 20 . 1 1 107 107 LYS HA H 107 4.275 4.275 4.129 0.146 25437 12333 1 20 . 1 1 107 107 LYS CA C 107 57.224 57.224 57.712 -0.488 25437 12334 1 20 . 1 1 107 107 LYS CB C 107 32.752 32.752 32.778 -0.026 25437 12335 1 20 . 1 1 107 107 LYS H H 107 8.489 8.489 8.459 0.030 25437 12336 1 20 . 1 1 108 108 LEU N N 108 122.881 122.881 121.671 1.210 25437 12337 1 20 . 1 1 108 108 LEU HA H 108 5.235 5.235 4.683 0.552 25437 12338 1 20 . 1 1 108 108 LEU CA C 108 53.287 53.287 54.751 -1.464 25437 12339 1 20 . 1 1 108 108 LEU CB C 108 47.016 47.016 44.353 2.663 25437 12340 1 20 . 1 1 108 108 LEU H H 108 8.049 8.049 8.059 -0.010 25437 12341 1 20 . 1 1 109 109 ARG N N 109 120.726 120.726 123.466 -2.740 25437 12342 1 20 . 1 1 109 109 ARG HA H 109 4.438 4.438 4.168 0.270 25437 12343 1 20 . 1 1 109 109 ARG CA C 109 55.193 55.193 55.548 -0.355 25437 12344 1 20 . 1 1 109 109 ARG CB C 109 33.519 33.519 34.714 -1.195 25437 12345 1 20 . 1 1 109 109 ARG H H 109 8.736 8.736 8.206 0.530 25437 12346 1 20 . 1 1 110 110 PHE N N 110 121.516 121.516 120.747 0.769 25437 12347 1 20 . 1 1 110 110 PHE HA H 110 5.303 5.303 5.031 0.272 25437 12348 1 20 . 1 1 110 110 PHE CA C 110 56.644 56.644 55.876 0.768 25437 12349 1 20 . 1 1 110 110 PHE CB C 110 40.602 40.602 40.028 0.574 25437 12350 1 20 . 1 1 110 110 PHE H H 110 8.707 8.707 8.029 0.678 25437 12351 1 20 . 1 1 111 111 GLY N N 111 108.992 108.992 108.273 0.719 25437 12352 1 20 . 1 1 111 111 GLY CA C 111 45.604 45.604 45.498 0.105 25437 12353 1 20 . 1 1 111 111 GLY H H 111 7.819 7.819 8.938 -1.119 25437 12354 1 20 . 1 1 112 112 ALA N N 112 111.448 111.448 126.006 -14.558 25437 12355 1 20 . 1 1 112 112 ALA HA H 112 3.858 3.858 4.663 -0.805 25437 12356 1 20 . 1 1 112 112 ALA CA C 112 52.083 52.083 52.432 -0.349 25437 12357 1 20 . 1 1 112 112 ALA CB C 112 18.655 18.655 19.748 -1.093 25437 12358 1 20 . 1 1 112 112 ALA H H 112 7.945 7.945 8.441 -0.496 25437 12359 1 20 . 1 1 113 113 ASP N N 113 106.770 106.770 120.370 -13.600 25437 12360 1 20 . 1 1 113 113 ASP HA H 113 5.157 5.157 4.340 0.817 25437 12361 1 20 . 1 1 113 113 ASP CA C 113 52.285 52.285 56.901 -4.616 25437 12362 1 20 . 1 1 113 113 ASP CB C 113 41.465 41.465 40.475 0.990 25437 12363 1 20 . 1 1 113 113 ASP H H 113 7.000 7.000 8.424 -1.424 25437 12364 1 20 . 1 1 114 114 TRP N N 114 119.829 119.829 118.597 1.232 25437 12365 1 20 . 1 1 114 114 TRP HA H 114 4.184 4.184 4.522 -0.338 25437 12366 1 20 . 1 1 114 114 TRP CA C 114 61.455 61.455 60.139 1.315 25437 12367 1 20 . 1 1 114 114 TRP CB C 114 26.427 26.427 29.361 -2.934 25437 12368 1 20 . 1 1 114 114 TRP H H 114 7.589 7.589 8.702 -1.113 25437 12369 1 20 . 1 1 115 115 ASN N N 115 117.900 117.900 118.212 -0.312 25437 12370 1 20 . 1 1 115 115 ASN HA H 115 4.548 4.548 4.489 0.059 25437 12371 1 20 . 1 1 115 115 ASN CA C 115 55.955 55.955 55.966 -0.011 25437 12372 1 20 . 1 1 115 115 ASN CB C 115 36.818 36.818 37.515 -0.697 25437 12373 1 20 . 1 1 115 115 ASN H H 115 9.503 9.503 8.713 0.790 25437 12374 1 20 . 1 1 116 116 ALA N N 116 123.758 123.758 122.533 1.225 25437 12375 1 20 . 1 1 116 116 ALA HA H 116 4.181 4.181 4.191 -0.010 25437 12376 1 20 . 1 1 116 116 ALA CA C 116 53.111 53.111 54.202 -1.091 25437 12377 1 20 . 1 1 116 116 ALA CB C 116 16.596 16.596 18.340 -1.744 25437 12378 1 20 . 1 1 116 116 ALA H H 116 8.079 8.079 7.568 0.511 25437 12379 1 20 . 1 1 117 117 SER N N 117 116.009 116.009 111.710 4.299 25437 12380 1 20 . 1 1 117 117 SER HA H 117 4.417 4.417 4.456 -0.039 25437 12381 1 20 . 1 1 117 117 SER CA C 117 59.433 59.433 59.033 0.400 25437 12382 1 20 . 1 1 117 117 SER CB C 117 65.026 65.026 63.755 1.271 25437 12383 1 20 . 1 1 117 117 SER H H 117 9.460 9.460 7.911 1.549 25437 12384 1 20 . 1 1 118 118 GLY N N 118 115.031 115.031 109.968 5.063 25437 12385 1 20 . 1 1 118 118 GLY CA C 118 45.197 45.197 44.861 0.336 25437 12386 1 20 . 1 1 118 118 GLY H H 118 10.733 10.733 8.104 2.629 25437 12387 1 20 . 1 1 119 119 ASP N N 119 116.435 116.435 120.647 -4.212 25437 12388 1 20 . 1 1 119 119 ASP HA H 119 4.590 4.590 4.610 -0.020 25437 12389 1 20 . 1 1 119 119 ASP CA C 119 53.181 53.181 54.223 -1.042 25437 12390 1 20 . 1 1 119 119 ASP CB C 119 43.864 43.864 41.611 2.253 25437 12391 1 20 . 1 1 119 119 ASP H H 119 7.770 7.770 8.315 -0.545 25437 12392 1 20 . 1 1 120 120 TYR N N 120 120.253 120.253 122.921 -2.668 25437 12393 1 20 . 1 1 120 120 TYR HA H 120 6.088 6.088 4.459 1.629 25437 12394 1 20 . 1 1 120 120 TYR CA C 120 56.003 56.003 58.105 -2.102 25437 12395 1 20 . 1 1 120 120 TYR CB C 120 40.371 40.371 40.170 0.201 25437 12396 1 20 . 1 1 120 120 TYR H H 120 6.801 6.801 8.384 -1.583 25437 12397 1 20 . 1 1 121 121 HIS HA H 121 4.537 4.537 4.471 0.066 25437 12398 1 20 . 1 1 121 121 HIS CA C 121 59.002 59.002 57.787 1.215 25437 12399 1 20 . 1 1 121 121 HIS CB C 121 27.950 27.950 30.058 -2.108 25437 12400 1 20 . 1 1 122 122 ASP N N 122 111.622 111.622 117.093 -5.471 25437 12401 1 20 . 1 1 122 122 ASP HA H 122 4.815 4.815 4.569 0.246 25437 12402 1 20 . 1 1 122 122 ASP CA C 122 51.612 51.612 55.239 -3.627 25437 12403 1 20 . 1 1 122 122 ASP CB C 122 36.980 36.980 40.920 -3.940 25437 12404 1 20 . 1 1 122 122 ASP H H 122 8.154 8.154 8.054 0.100 25437 12405 1 20 . 1 1 124 124 ILE N N 124 119.763 119.763 115.440 4.323 25437 12406 1 20 . 1 1 124 124 ILE HA H 124 3.843 3.843 3.801 0.042 25437 12407 1 20 . 1 1 124 124 ILE CA C 124 64.714 64.714 61.699 3.015 25437 12408 1 20 . 1 1 124 124 ILE CB C 124 36.859 36.859 37.362 -0.503 25437 12409 1 20 . 1 1 124 124 ILE H H 124 7.639 7.639 8.007 -0.368 25437 12410 1 20 . 1 1 125 125 LYS N N 125 121.010 121.010 118.896 2.114 25437 12411 1 20 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.083 0.026 25437 12412 1 20 . 1 1 125 125 LYS CA C 125 59.241 59.241 58.468 0.773 25437 12413 1 20 . 1 1 125 125 LYS CB C 125 31.985 31.985 31.911 0.074 25437 12414 1 20 . 1 1 125 125 LYS H H 125 7.739 7.739 8.121 -0.382 25437 12415 1 20 . 1 1 126 126 ARG N N 126 115.276 115.276 116.936 -1.660 25437 12416 1 20 . 1 1 126 126 ARG HA H 126 4.338 4.338 4.302 0.036 25437 12417 1 20 . 1 1 126 126 ARG CA C 126 57.189 57.189 55.688 1.501 25437 12418 1 20 . 1 1 126 126 ARG CB C 126 31.015 31.015 30.319 0.696 25437 12419 1 20 . 1 1 126 126 ARG H H 126 7.904 7.904 7.684 0.220 25437 12420 1 20 . 1 1 127 127 GLY N N 127 107.767 107.767 110.076 -2.309 25437 12421 1 20 . 1 1 127 127 GLY CA C 127 45.822 45.822 45.838 -0.016 25437 12422 1 20 . 1 1 127 127 GLY H H 127 7.912 7.912 7.976 -0.064 25437 12423 1 20 . 1 1 128 128 THR N N 128 107.570 107.570 111.972 -4.402 25437 12424 1 20 . 1 1 128 128 THR HA H 128 4.252 4.252 4.420 -0.168 25437 12425 1 20 . 1 1 128 128 THR CA C 128 60.620 60.620 59.405 1.215 25437 12426 1 20 . 1 1 128 128 THR CB C 128 69.224 69.224 69.981 -0.757 25437 12427 1 20 . 1 1 128 128 THR H H 128 8.121 8.121 7.064 1.057 25437 12428 1 20 . 1 1 129 129 TYR N N 129 123.143 123.143 121.390 1.753 25437 12429 1 20 . 1 1 129 129 TYR HA H 129 4.173 4.173 4.141 0.032 25437 12430 1 20 . 1 1 129 129 TYR CA C 129 61.448 61.448 59.424 2.024 25437 12431 1 20 . 1 1 129 129 TYR CB C 129 38.796 38.796 39.027 -0.231 25437 12432 1 20 . 1 1 129 129 TYR H H 129 7.209 7.209 8.484 -1.275 25437 12433 1 20 . 1 1 130 130 ASP N N 130 117.930 117.930 120.282 -2.352 25437 12434 1 20 . 1 1 130 130 ASP HA H 130 4.641 4.641 4.260 0.381 25437 12435 1 20 . 1 1 130 130 ASP CA C 130 53.440 53.440 55.995 -2.555 25437 12436 1 20 . 1 1 130 130 ASP CB C 130 43.221 43.221 40.431 2.790 25437 12437 1 20 . 1 1 130 130 ASP H H 130 8.216 8.216 7.460 0.756 25437 12438 1 20 . 1 1 132 132 GLY N N 132 107.481 107.481 109.326 -1.845 25437 12439 1 20 . 1 1 132 132 GLY CA C 132 44.013 44.013 44.869 -0.856 25437 12440 1 20 . 1 1 132 132 GLY H H 132 8.304 8.304 7.747 0.557 25437 12441 1 20 . 1 1 133 133 HIS N N 133 117.609 117.609 122.599 -4.990 25437 12442 1 20 . 1 1 133 133 HIS HA H 133 5.430 5.430 4.649 0.781 25437 12443 1 20 . 1 1 133 133 HIS CA C 133 57.155 57.155 56.382 0.773 25437 12444 1 20 . 1 1 133 133 HIS CB C 133 31.667 31.667 29.361 2.306 25437 12445 1 20 . 1 1 133 133 HIS H H 133 6.942 6.942 7.910 -0.968 25437 12446 1 20 . 1 1 134 134 VAL N N 134 133.201 133.201 122.758 10.443 25437 12447 1 20 . 1 1 134 134 VAL HA H 134 4.254 4.254 4.587 -0.333 25437 12448 1 20 . 1 1 134 134 VAL CA C 134 61.676 61.676 59.616 2.060 25437 12449 1 20 . 1 1 134 134 VAL CB C 134 34.775 34.775 32.537 2.238 25437 12450 1 20 . 1 1 134 134 VAL H H 134 9.127 9.127 8.085 1.042 25437 12451 1 20 . 1 1 135 135 GLU N N 135 119.904 119.904 124.429 -4.525 25437 12452 1 20 . 1 1 135 135 GLU HA H 135 5.458 5.458 4.976 0.482 25437 12453 1 20 . 1 1 135 135 GLU CA C 135 52.126 52.126 54.111 -1.985 25437 12454 1 20 . 1 1 135 135 GLU CB C 135 34.550 34.550 33.501 1.049 25437 12455 1 20 . 1 1 135 135 GLU H H 135 8.501 8.501 7.975 0.526 25437 12456 1 20 . 1 1 136 136 LEU N N 136 119.357 119.357 121.425 -2.068 25437 12457 1 20 . 1 1 136 136 LEU HA H 136 4.432 4.432 4.568 -0.136 25437 12458 1 20 . 1 1 136 136 LEU CA C 136 54.772 54.772 54.518 0.254 25437 12459 1 20 . 1 1 136 136 LEU CB C 136 42.524 42.524 41.720 0.804 25437 12460 1 20 . 1 1 136 136 LEU H H 136 8.280 8.280 8.486 -0.206 25437 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 126 3.830 0.597 3.798 25437 2 1 1 "Average Difference" HA 140 0.368 -0.069 0.363 25437 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25437 4 1 1 "Average Difference" CA 131 1.682 0.066 1.687 25437 5 1 1 "Average Difference" CB 120 1.425 -0.019 1.431 25437 6 1 1 "Average Difference" HN 126 0.643 -0.058 0.643 25437 7 1 2 "Average Difference" N 126 3.872 0.569 3.846 25437 8 1 2 "Average Difference" HA 140 0.388 -0.072 0.383 25437 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25437 10 1 2 "Average Difference" CA 131 1.618 0.020 1.624 25437 11 1 2 "Average Difference" CB 120 1.445 0.004 1.451 25437 12 1 2 "Average Difference" HN 126 0.668 -0.059 0.668 25437 13 1 3 "Average Difference" N 126 3.864 0.495 3.847 25437 14 1 3 "Average Difference" HA 140 0.366 -0.074 0.360 25437 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25437 16 1 3 "Average Difference" CA 131 1.508 0.063 1.512 25437 17 1 3 "Average Difference" CB 120 1.438 -0.026 1.444 25437 18 1 3 "Average Difference" HN 126 0.623 -0.048 0.623 25437 19 1 4 "Average Difference" N 126 3.912 0.621 3.878 25437 20 1 4 "Average Difference" HA 140 0.376 -0.059 0.373 25437 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25437 22 1 4 "Average Difference" CA 131 1.612 0.017 1.618 25437 23 1 4 "Average Difference" CB 120 1.379 -0.052 1.384 25437 24 1 4 "Average Difference" HN 126 0.614 -0.057 0.614 25437 25 1 5 "Average Difference" N 126 3.696 0.651 3.653 25437 26 1 5 "Average Difference" HA 140 0.363 -0.076 0.356 25437 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25437 28 1 5 "Average Difference" CA 131 1.530 0.089 1.533 25437 29 1 5 "Average Difference" CB 120 1.421 -0.008 1.427 25437 30 1 5 "Average Difference" HN 126 0.613 -0.065 0.612 25437 31 1 6 "Average Difference" N 126 3.893 0.523 3.873 25437 32 1 6 "Average Difference" HA 140 0.365 -0.076 0.359 25437 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25437 34 1 6 "Average Difference" CA 131 1.664 0.072 1.669 25437 35 1 6 "Average Difference" CB 120 1.392 -0.053 1.397 25437 36 1 6 "Average Difference" HN 126 0.622 -0.061 0.622 25437 37 1 7 "Average Difference" N 126 3.722 0.471 3.707 25437 38 1 7 "Average Difference" HA 140 0.371 -0.056 0.368 25437 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25437 40 1 7 "Average Difference" CA 131 1.556 0.154 1.554 25437 41 1 7 "Average Difference" CB 120 1.449 -0.006 1.455 25437 42 1 7 "Average Difference" HN 126 0.645 -0.081 0.642 25437 43 1 8 "Average Difference" N 126 3.927 0.421 3.920 25437 44 1 8 "Average Difference" HA 140 0.376 -0.082 0.369 25437 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25437 46 1 8 "Average Difference" CA 131 1.540 0.061 1.545 25437 47 1 8 "Average Difference" CB 120 1.454 -0.029 1.460 25437 48 1 8 "Average Difference" HN 126 0.623 -0.073 0.621 25437 49 1 9 "Average Difference" N 126 4.057 0.385 4.055 25437 50 1 9 "Average Difference" HA 140 0.379 -0.069 0.374 25437 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25437 52 1 9 "Average Difference" CA 131 1.594 0.077 1.599 25437 53 1 9 "Average Difference" CB 120 1.413 0.024 1.419 25437 54 1 9 "Average Difference" HN 126 0.672 -0.055 0.672 25437 55 1 10 "Average Difference" N 126 3.726 0.550 3.700 25437 56 1 10 "Average Difference" HA 140 0.362 -0.059 0.358 25437 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25437 58 1 10 "Average Difference" CA 131 1.537 0.046 1.543 25437 59 1 10 "Average Difference" CB 120 1.377 -0.025 1.382 25437 60 1 10 "Average Difference" HN 126 0.597 -0.052 0.597 25437 61 1 11 "Average Difference" N 126 3.707 0.505 3.687 25437 62 1 11 "Average Difference" HA 140 0.368 -0.083 0.360 25437 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25437 64 1 11 "Average Difference" CA 131 1.649 0.042 1.654 25437 65 1 11 "Average Difference" CB 120 1.390 -0.026 1.395 25437 66 1 11 "Average Difference" HN 126 0.655 -0.069 0.654 25437 67 1 12 "Average Difference" N 126 3.959 0.542 3.937 25437 68 1 12 "Average Difference" HA 140 0.377 -0.081 0.369 25437 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25437 70 1 12 "Average Difference" CA 131 1.574 0.161 1.572 25437 71 1 12 "Average Difference" CB 120 1.438 0.001 1.444 25437 72 1 12 "Average Difference" HN 126 0.654 -0.076 0.652 25437 73 1 13 "Average Difference" N 126 3.988 0.489 3.973 25437 74 1 13 "Average Difference" HA 140 0.388 -0.069 0.383 25437 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25437 76 1 13 "Average Difference" CA 131 1.622 0.120 1.624 25437 77 1 13 "Average Difference" CB 120 1.413 0.034 1.419 25437 78 1 13 "Average Difference" HN 126 0.669 -0.083 0.666 25437 79 1 14 "Average Difference" N 126 3.887 0.673 3.843 25437 80 1 14 "Average Difference" HA 140 0.416 -0.088 0.408 25437 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25437 82 1 14 "Average Difference" CA 131 1.520 0.059 1.525 25437 83 1 14 "Average Difference" CB 120 1.449 -0.034 1.455 25437 84 1 14 "Average Difference" HN 126 0.672 -0.069 0.672 25437 85 1 15 "Average Difference" N 126 3.837 0.590 3.806 25437 86 1 15 "Average Difference" HA 140 0.378 -0.079 0.371 25437 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25437 88 1 15 "Average Difference" CA 131 1.609 0.027 1.614 25437 89 1 15 "Average Difference" CB 120 1.440 -0.098 1.443 25437 90 1 15 "Average Difference" HN 126 0.683 -0.074 0.681 25437 91 1 16 "Average Difference" N 126 3.902 0.639 3.864 25437 92 1 16 "Average Difference" HA 140 0.388 -0.088 0.379 25437 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25437 94 1 16 "Average Difference" CA 131 1.637 0.133 1.638 25437 95 1 16 "Average Difference" CB 120 1.424 -0.021 1.430 25437 96 1 16 "Average Difference" HN 126 0.673 -0.042 0.675 25437 97 1 17 "Average Difference" N 126 3.919 0.519 3.900 25437 98 1 17 "Average Difference" HA 140 0.402 -0.088 0.394 25437 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25437 100 1 17 "Average Difference" CA 131 1.591 0.017 1.597 25437 101 1 17 "Average Difference" CB 120 1.392 -0.030 1.397 25437 102 1 17 "Average Difference" HN 126 0.675 -0.085 0.672 25437 103 1 18 "Average Difference" N 126 3.673 0.486 3.655 25437 104 1 18 "Average Difference" HA 140 0.353 -0.064 0.348 25437 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25437 106 1 18 "Average Difference" CA 131 1.665 -0.051 1.671 25437 107 1 18 "Average Difference" CB 120 1.395 -0.019 1.401 25437 108 1 18 "Average Difference" HN 126 0.640 -0.080 0.637 25437 109 1 19 "Average Difference" N 126 3.702 0.431 3.691 25437 110 1 19 "Average Difference" HA 140 0.348 -0.054 0.345 25437 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25437 112 1 19 "Average Difference" CA 131 1.464 0.017 1.470 25437 113 1 19 "Average Difference" CB 120 1.395 -0.060 1.400 25437 114 1 19 "Average Difference" HN 126 0.651 -0.069 0.650 25437 115 1 20 "Average Difference" N 126 3.796 0.562 3.770 25437 116 1 20 "Average Difference" HA 140 0.359 -0.062 0.355 25437 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25437 118 1 20 "Average Difference" CA 131 1.572 0.044 1.577 25437 119 1 20 "Average Difference" CB 120 1.417 -0.074 1.421 25437 120 1 20 "Average Difference" HN 126 0.610 -0.046 0.610 25437 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 25437 _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 3 3 PHE N N 3 121.785 121.785 123.680 -1.895 25437 2 1 . 1 1 3 3 PHE HA H 3 4.792 4.792 4.130 0.662 25437 3 1 . 1 1 3 3 PHE CA C 3 56.407 56.407 58.908 -2.501 25437 4 1 . 1 1 3 3 PHE CB C 3 40.111 40.111 39.585 0.526 25437 5 1 . 1 1 3 3 PHE H H 3 8.534 8.534 8.240 0.294 25437 6 1 . 1 1 4 4 LYS N N 4 119.409 119.409 123.043 -3.634 25437 7 1 . 1 1 4 4 LYS HA H 4 4.452 4.452 4.055 0.397 25437 8 1 . 1 1 4 4 LYS CA C 4 54.774 54.774 53.993 0.781 25437 9 1 . 1 1 4 4 LYS CB C 4 35.710 35.710 35.003 0.707 25437 10 1 . 1 1 4 4 LYS H H 4 8.367 8.367 7.268 1.099 25437 11 1 . 1 1 5 5 PHE N N 5 124.495 124.495 120.772 3.723 25437 12 1 . 1 1 5 5 PHE HA H 5 4.873 4.873 4.464 0.409 25437 13 1 . 1 1 5 5 PHE CA C 5 58.636 58.636 57.389 1.247 25437 14 1 . 1 1 5 5 PHE CB C 5 39.217 39.217 38.220 0.997 25437 15 1 . 1 1 5 5 PHE H H 5 8.603 8.603 7.807 0.796 25437 16 1 . 1 1 6 6 GLY N N 6 108.622 108.622 111.477 -2.855 25437 17 1 . 1 1 6 6 GLY CA C 6 43.819 43.819 44.550 -0.731 25437 18 1 . 1 1 6 6 GLY H H 6 8.559 8.559 8.226 0.333 25437 19 1 . 1 1 7 7 LYS N N 7 119.341 119.341 120.277 -0.936 25437 20 1 . 1 1 7 7 LYS HA H 7 3.958 3.958 4.041 -0.083 25437 21 1 . 1 1 7 7 LYS CA C 7 60.087 60.087 59.507 0.580 25437 22 1 . 1 1 7 7 LYS CB C 7 32.399 32.399 32.384 0.015 25437 23 1 . 1 1 7 7 LYS H H 7 8.692 8.692 8.636 0.056 25437 24 1 . 1 1 8 8 ASN N N 8 118.555 118.555 116.657 1.898 25437 25 1 . 1 1 8 8 ASN HA H 8 4.551 4.551 4.621 -0.070 25437 26 1 . 1 1 8 8 ASN CA C 8 56.776 56.776 55.880 0.896 25437 27 1 . 1 1 8 8 ASN CB C 8 36.961 36.961 37.948 -0.987 25437 28 1 . 1 1 8 8 ASN H H 8 9.185 9.185 8.534 0.651 25437 29 1 . 1 1 9 9 SER N N 9 118.632 118.632 117.416 1.216 25437 30 1 . 1 1 9 9 SER HA H 9 4.283 4.283 4.229 0.054 25437 31 1 . 1 1 9 9 SER CA C 9 62.790 62.790 61.937 0.853 25437 32 1 . 1 1 9 9 SER CB C 9 62.790 62.790 62.863 -0.073 25437 33 1 . 1 1 9 9 SER H H 9 8.076 8.076 8.091 -0.015 25437 34 1 . 1 1 10 10 GLU N N 10 120.882 120.882 120.552 0.330 25437 35 1 . 1 1 10 10 GLU HA H 10 3.977 3.977 4.026 -0.049 25437 36 1 . 1 1 10 10 GLU CA C 10 59.409 59.409 59.490 -0.081 25437 37 1 . 1 1 10 10 GLU CB C 10 28.556 28.556 29.393 -0.837 25437 38 1 . 1 1 10 10 GLU H H 10 8.351 8.351 8.490 -0.139 25437 39 1 . 1 1 11 11 LYS N N 11 120.030 120.030 118.951 1.079 25437 40 1 . 1 1 11 11 LYS HA H 11 4.056 4.056 4.117 -0.061 25437 41 1 . 1 1 11 11 LYS CA C 11 59.477 59.477 58.640 0.837 25437 42 1 . 1 1 11 11 LYS CB C 11 32.032 32.032 32.120 -0.088 25437 43 1 . 1 1 11 11 LYS H H 11 7.937 7.937 7.479 0.458 25437 44 1 . 1 1 12 12 GLN N N 12 114.749 114.749 119.429 -4.680 25437 45 1 . 1 1 12 12 GLN HA H 12 4.147 4.147 4.092 0.055 25437 46 1 . 1 1 12 12 GLN CA C 12 57.373 57.373 58.955 -1.582 25437 47 1 . 1 1 12 12 GLN CB C 12 28.511 28.511 28.735 -0.224 25437 48 1 . 1 1 12 12 GLN H H 12 7.562 7.562 8.027 -0.465 25437 49 1 . 1 1 13 13 LEU N N 13 121.751 121.751 118.385 3.366 25437 50 1 . 1 1 13 13 LEU HA H 13 3.880 3.880 4.249 -0.369 25437 51 1 . 1 1 13 13 LEU CA C 13 57.080 57.080 56.290 0.790 25437 52 1 . 1 1 13 13 LEU CB C 13 42.413 42.413 40.449 1.964 25437 53 1 . 1 1 13 13 LEU H H 13 8.725 8.725 8.176 0.549 25437 54 1 . 1 1 14 14 ALA N N 14 116.323 116.323 120.043 -3.720 25437 55 1 . 1 1 14 14 ALA HA H 14 4.070 4.070 4.272 -0.202 25437 56 1 . 1 1 14 14 ALA CA C 14 53.706 53.706 53.938 -0.232 25437 57 1 . 1 1 14 14 ALA CB C 14 18.020 18.020 18.870 -0.850 25437 58 1 . 1 1 14 14 ALA H H 14 7.574 7.574 7.559 0.015 25437 59 1 . 1 1 15 15 THR N N 15 104.034 104.034 110.071 -6.037 25437 60 1 . 1 1 15 15 THR HA H 15 4.431 4.431 4.413 0.018 25437 61 1 . 1 1 15 15 THR CA C 15 62.381 62.381 61.552 0.829 25437 62 1 . 1 1 15 15 THR CB C 15 70.327 70.327 69.740 0.587 25437 63 1 . 1 1 15 15 THR H H 15 7.326 7.326 7.374 -0.048 25437 64 1 . 1 1 16 16 VAL N N 16 112.438 112.438 122.316 -9.878 25437 65 1 . 1 1 16 16 VAL HA H 16 4.922 4.922 3.895 1.027 25437 66 1 . 1 1 16 16 VAL CA C 16 59.661 59.661 63.214 -3.553 25437 67 1 . 1 1 16 16 VAL CB C 16 32.989 32.989 32.887 0.102 25437 68 1 . 1 1 16 16 VAL H H 16 7.164 7.164 7.298 -0.134 25437 69 1 . 1 1 17 17 LYS N N 17 120.729 120.729 128.567 -7.838 25437 70 1 . 1 1 17 17 LYS HA H 17 4.230 4.230 4.354 -0.124 25437 71 1 . 1 1 17 17 LYS CA C 17 55.486 55.486 57.937 -2.451 25437 72 1 . 1 1 17 17 LYS CB C 17 32.079 32.079 30.860 1.219 25437 73 1 . 1 1 17 17 LYS H H 17 8.907 8.907 8.716 0.191 25437 74 1 . 1 1 18 18 PRO HA H 18 4.130 4.130 4.472 -0.342 25437 75 1 . 1 1 18 18 PRO CA C 18 65.813 65.813 63.041 2.772 25437 76 1 . 1 1 18 18 PRO CB C 18 31.864 31.864 32.001 -0.137 25437 77 1 . 1 1 19 19 GLU N N 19 117.608 117.608 117.741 -0.133 25437 78 1 . 1 1 19 19 GLU HA H 19 4.011 4.011 4.443 -0.432 25437 79 1 . 1 1 19 19 GLU CA C 19 61.031 61.031 56.479 4.552 25437 80 1 . 1 1 19 19 GLU CB C 19 29.117 29.117 29.163 -0.046 25437 81 1 . 1 1 19 19 GLU H H 19 9.714 9.714 8.709 1.005 25437 82 1 . 1 1 20 20 LEU N N 20 117.938 117.938 118.663 -0.725 25437 83 1 . 1 1 20 20 LEU HA H 20 4.258 4.258 3.990 0.268 25437 84 1 . 1 1 20 20 LEU CA C 20 56.261 56.261 58.080 -1.819 25437 85 1 . 1 1 20 20 LEU CB C 20 41.894 41.894 40.799 1.095 25437 86 1 . 1 1 20 20 LEU H H 20 7.188 7.188 7.889 -0.701 25437 87 1 . 1 1 21 21 GLN N N 21 118.367 118.367 118.250 0.117 25437 88 1 . 1 1 21 21 GLN HA H 21 3.831 3.831 3.968 -0.137 25437 89 1 . 1 1 21 21 GLN CA C 21 60.100 60.100 58.617 1.483 25437 90 1 . 1 1 21 21 GLN CB C 21 27.745 27.745 27.584 0.161 25437 91 1 . 1 1 21 21 GLN H H 21 7.805 7.805 8.518 -0.713 25437 92 1 . 1 1 22 22 LYS N N 22 116.715 116.715 120.154 -3.439 25437 93 1 . 1 1 22 22 LYS HA H 22 3.962 3.962 3.980 -0.018 25437 94 1 . 1 1 22 22 LYS CA C 22 59.816 59.816 59.512 0.304 25437 95 1 . 1 1 22 22 LYS CB C 22 32.520 32.520 31.994 0.526 25437 96 1 . 1 1 22 22 LYS H H 22 8.143 8.143 7.998 0.145 25437 97 1 . 1 1 23 23 VAL N N 23 118.397 118.397 119.351 -0.954 25437 98 1 . 1 1 23 23 VAL HA H 23 3.591 3.591 3.574 0.017 25437 99 1 . 1 1 23 23 VAL CA C 23 66.313 66.313 66.031 0.282 25437 100 1 . 1 1 23 23 VAL CB C 23 31.529 31.529 31.168 0.361 25437 101 1 . 1 1 23 23 VAL H H 23 7.715 7.715 7.556 0.159 25437 102 1 . 1 1 24 24 ALA N N 24 121.929 121.929 121.972 -0.043 25437 103 1 . 1 1 24 24 ALA HA H 24 4.024 4.024 3.475 0.549 25437 104 1 . 1 1 24 24 ALA CA C 24 55.444 55.444 55.326 0.118 25437 105 1 . 1 1 24 24 ALA CB C 24 18.086 18.086 18.346 -0.260 25437 106 1 . 1 1 24 24 ALA H H 24 8.307 8.307 7.429 0.878 25437 107 1 . 1 1 25 25 ARG N N 25 114.491 114.491 118.800 -4.309 25437 108 1 . 1 1 25 25 ARG HA H 25 4.114 4.114 4.194 -0.080 25437 109 1 . 1 1 25 25 ARG CA C 25 60.717 60.717 59.809 0.908 25437 110 1 . 1 1 25 25 ARG CB C 25 29.257 29.257 30.308 -1.051 25437 111 1 . 1 1 25 25 ARG H H 25 8.224 8.224 8.388 -0.164 25437 112 1 . 1 1 26 26 ARG N N 26 119.944 119.944 118.928 1.016 25437 113 1 . 1 1 26 26 ARG HA H 26 4.223 4.223 4.000 0.223 25437 114 1 . 1 1 26 26 ARG CA C 26 57.097 57.097 59.148 -2.051 25437 115 1 . 1 1 26 26 ARG CB C 26 28.888 28.888 30.097 -1.209 25437 116 1 . 1 1 26 26 ARG H H 26 7.703 7.703 8.089 -0.386 25437 117 1 . 1 1 27 27 ALA N N 27 122.041 122.041 122.736 -0.695 25437 118 1 . 1 1 27 27 ALA HA H 27 3.611 3.611 3.928 -0.317 25437 119 1 . 1 1 27 27 ALA CA C 27 55.249 55.249 54.942 0.307 25437 120 1 . 1 1 27 27 ALA CB C 27 15.829 15.829 17.746 -1.917 25437 121 1 . 1 1 27 27 ALA H H 27 8.754 8.754 8.226 0.528 25437 122 1 . 1 1 28 28 LEU N N 28 117.421 117.421 118.466 -1.045 25437 123 1 . 1 1 28 28 LEU HA H 28 4.053 4.053 4.203 -0.150 25437 124 1 . 1 1 28 28 LEU CA C 28 57.757 57.757 58.259 -0.502 25437 125 1 . 1 1 28 28 LEU CB C 28 40.351 40.351 41.939 -1.588 25437 126 1 . 1 1 28 28 LEU H H 28 7.657 7.657 8.001 -0.344 25437 127 1 . 1 1 29 29 GLU N N 29 114.911 114.911 117.546 -2.635 25437 128 1 . 1 1 29 29 GLU HA H 29 4.023 4.023 4.137 -0.114 25437 129 1 . 1 1 29 29 GLU CA C 29 58.489 58.489 58.067 0.422 25437 130 1 . 1 1 29 29 GLU CB C 29 29.540 29.540 30.092 -0.552 25437 131 1 . 1 1 29 29 GLU H H 29 7.039 7.039 7.478 -0.439 25437 132 1 . 1 1 30 30 LEU N N 30 117.166 117.166 119.017 -1.851 25437 133 1 . 1 1 30 30 LEU HA H 30 4.281 4.281 4.007 0.274 25437 134 1 . 1 1 30 30 LEU CA C 30 55.266 55.266 56.713 -1.447 25437 135 1 . 1 1 30 30 LEU CB C 30 44.403 44.403 42.346 2.057 25437 136 1 . 1 1 30 30 LEU H H 30 7.353 7.353 8.104 -0.751 25437 137 1 . 1 1 31 31 SER N N 31 116.260 116.260 114.396 1.864 25437 138 1 . 1 1 31 31 SER HA H 31 4.557 4.557 4.250 0.307 25437 139 1 . 1 1 31 31 SER CA C 31 55.723 55.723 57.410 -1.687 25437 140 1 . 1 1 31 31 SER CB C 31 65.560 65.560 64.135 1.425 25437 141 1 . 1 1 31 31 SER H H 31 7.742 7.742 7.882 -0.140 25437 142 1 . 1 1 32 32 PRO HA H 32 4.609 4.609 4.229 0.380 25437 143 1 . 1 1 32 32 PRO CA C 32 63.483 63.483 63.975 -0.492 25437 144 1 . 1 1 32 32 PRO CB C 32 31.236 31.236 31.585 -0.349 25437 145 1 . 1 1 33 33 TYR N N 33 114.714 114.714 118.254 -3.540 25437 146 1 . 1 1 33 33 TYR HA H 33 4.710 4.710 4.706 0.004 25437 147 1 . 1 1 33 33 TYR CA C 33 56.742 56.742 55.508 1.234 25437 148 1 . 1 1 33 33 TYR CB C 33 41.506 41.506 39.274 2.232 25437 149 1 . 1 1 33 33 TYR H H 33 7.727 7.727 7.218 0.509 25437 150 1 . 1 1 34 34 ASP N N 34 125.197 125.197 119.919 5.278 25437 151 1 . 1 1 34 34 ASP HA H 34 3.524 3.524 4.616 -1.092 25437 152 1 . 1 1 34 34 ASP CA C 34 52.353 52.353 55.081 -2.728 25437 153 1 . 1 1 34 34 ASP CB C 34 37.720 37.720 41.971 -4.251 25437 154 1 . 1 1 34 34 ASP H H 34 8.630 8.630 8.809 -0.179 25437 155 1 . 1 1 35 35 PHE N N 35 115.803 115.803 113.447 2.356 25437 156 1 . 1 1 35 35 PHE HA H 35 5.131 5.131 5.491 -0.360 25437 157 1 . 1 1 35 35 PHE CA C 35 55.839 55.839 56.529 -0.690 25437 158 1 . 1 1 35 35 PHE CB C 35 40.751 40.751 42.885 -2.134 25437 159 1 . 1 1 35 35 PHE H H 35 7.250 7.250 8.083 -0.833 25437 160 1 . 1 1 36 36 THR N N 36 113.338 113.338 117.335 -3.997 25437 161 1 . 1 1 36 36 THR HA H 36 4.769 4.769 4.482 0.287 25437 162 1 . 1 1 36 36 THR CA C 36 58.833 58.833 59.646 -0.813 25437 163 1 . 1 1 36 36 THR CB C 36 71.387 71.387 69.937 1.450 25437 164 1 . 1 1 36 36 THR H H 36 9.026 9.026 8.868 0.158 25437 165 1 . 1 1 37 37 ILE N N 37 124.219 124.219 128.176 -3.957 25437 166 1 . 1 1 37 37 ILE HA H 37 4.676 4.676 4.300 0.376 25437 167 1 . 1 1 37 37 ILE CA C 37 58.395 58.395 62.009 -3.614 25437 168 1 . 1 1 37 37 ILE CB C 37 34.649 34.649 37.816 -3.167 25437 169 1 . 1 1 37 37 ILE H H 37 8.476 8.476 9.036 -0.560 25437 170 1 . 1 1 38 38 VAL N N 38 124.271 124.271 126.495 -2.224 25437 171 1 . 1 1 38 38 VAL HA H 38 3.981 3.981 4.234 -0.253 25437 172 1 . 1 1 38 38 VAL CA C 38 63.144 63.144 63.351 -0.207 25437 173 1 . 1 1 38 38 VAL CB C 38 32.658 32.658 33.019 -0.361 25437 174 1 . 1 1 38 38 VAL H H 38 8.640 8.640 8.666 -0.026 25437 175 1 . 1 1 39 39 GLN N N 39 115.210 115.210 116.651 -1.441 25437 176 1 . 1 1 39 39 GLN HA H 39 4.378 4.378 4.798 -0.420 25437 177 1 . 1 1 39 39 GLN CA C 39 56.197 56.197 55.169 1.028 25437 178 1 . 1 1 39 39 GLN CB C 39 33.463 33.463 32.607 0.856 25437 179 1 . 1 1 39 39 GLN H H 39 7.305 7.305 7.833 -0.528 25437 180 1 . 1 1 40 40 GLY N N 40 116.022 116.022 110.318 5.704 25437 181 1 . 1 1 40 40 GLY CA C 40 45.347 45.347 45.405 -0.058 25437 182 1 . 1 1 40 40 GLY H H 40 8.851 8.851 8.900 -0.049 25437 183 1 . 1 1 41 41 ILE N N 41 132.358 132.358 120.509 11.849 25437 184 1 . 1 1 41 41 ILE HA H 41 4.715 4.715 4.518 0.197 25437 185 1 . 1 1 41 41 ILE CA C 41 61.575 61.575 59.012 2.563 25437 186 1 . 1 1 41 41 ILE CB C 41 38.774 38.774 41.732 -2.958 25437 187 1 . 1 1 41 41 ILE H H 41 8.776 8.776 8.034 0.742 25437 188 1 . 1 1 42 42 ARG N N 42 123.358 123.358 127.315 -3.957 25437 189 1 . 1 1 42 42 ARG HA H 42 4.725 4.725 4.606 0.119 25437 190 1 . 1 1 42 42 ARG CA C 42 54.576 54.576 55.451 -0.875 25437 191 1 . 1 1 42 42 ARG CB C 42 33.425 33.425 30.961 2.464 25437 192 1 . 1 1 42 42 ARG H H 42 7.154 7.154 8.501 -1.347 25437 193 1 . 1 1 43 43 THR N N 43 115.494 115.494 117.422 -1.928 25437 194 1 . 1 1 43 43 THR HA H 43 4.539 4.539 4.468 0.071 25437 195 1 . 1 1 43 43 THR CA C 43 61.022 61.022 61.121 -0.099 25437 196 1 . 1 1 43 43 THR CB C 43 70.577 70.577 69.741 0.836 25437 197 1 . 1 1 43 43 THR H H 43 8.519 8.519 8.375 0.144 25437 198 1 . 1 1 44 44 VAL N N 44 121.526 121.526 116.175 5.351 25437 199 1 . 1 1 44 44 VAL HA H 44 3.956 3.956 4.156 -0.200 25437 200 1 . 1 1 44 44 VAL CA C 44 63.977 63.977 63.995 -0.018 25437 201 1 . 1 1 44 44 VAL CB C 44 32.313 32.313 31.197 1.115 25437 202 1 . 1 1 44 44 VAL H H 44 8.516 8.516 8.284 0.232 25437 203 1 . 1 1 45 45 ALA N N 45 125.457 125.457 121.767 3.690 25437 204 1 . 1 1 45 45 ALA HA H 45 4.260 4.260 4.450 -0.190 25437 205 1 . 1 1 45 45 ALA CA C 45 53.278 53.278 53.401 -0.123 25437 206 1 . 1 1 45 45 ALA CB C 45 18.641 18.641 19.434 -0.793 25437 207 1 . 1 1 45 45 ALA H H 45 8.311 8.311 7.946 0.365 25437 208 1 . 1 1 46 46 GLN N N 46 118.271 118.271 119.926 -1.655 25437 209 1 . 1 1 46 46 GLN HA H 46 4.232 4.232 4.099 0.133 25437 210 1 . 1 1 46 46 GLN CA C 46 56.717 56.717 58.531 -1.814 25437 211 1 . 1 1 46 46 GLN CB C 46 28.901 28.901 28.339 0.562 25437 212 1 . 1 1 46 46 GLN H H 46 8.109 8.109 8.203 -0.094 25437 213 1 . 1 1 47 47 SER N N 47 116.127 116.127 114.617 1.510 25437 214 1 . 1 1 47 47 SER HA H 47 4.361 4.361 4.178 0.183 25437 215 1 . 1 1 47 47 SER CA C 47 59.082 59.082 60.836 -1.754 25437 216 1 . 1 1 47 47 SER CB C 47 64.009 64.009 62.862 1.147 25437 217 1 . 1 1 47 47 SER H H 47 8.199 8.199 7.986 0.213 25437 218 1 . 1 1 48 48 ALA N N 48 124.628 124.628 123.363 1.265 25437 219 1 . 1 1 48 48 ALA HA H 48 4.253 4.253 4.274 -0.021 25437 220 1 . 1 1 48 48 ALA CA C 48 53.325 53.325 54.085 -0.760 25437 221 1 . 1 1 48 48 ALA CB C 48 18.552 18.552 18.763 -0.211 25437 222 1 . 1 1 48 48 ALA H H 48 8.315 8.315 8.240 0.075 25437 223 1 . 1 1 49 49 GLN N N 49 119.160 119.160 118.165 0.995 25437 224 1 . 1 1 49 49 GLN HA H 49 4.232 4.232 4.170 0.062 25437 225 1 . 1 1 49 49 GLN CA C 49 56.850 56.850 57.267 -0.417 25437 226 1 . 1 1 49 49 GLN CB C 49 28.992 28.992 28.550 0.442 25437 227 1 . 1 1 49 49 GLN H H 49 8.153 8.153 7.902 0.251 25437 228 1 . 1 1 50 50 ASN N N 50 119.112 119.112 119.769 -0.657 25437 229 1 . 1 1 50 50 ASN HA H 50 4.660 4.660 4.466 0.194 25437 230 1 . 1 1 50 50 ASN CA C 50 53.572 53.572 56.395 -2.823 25437 231 1 . 1 1 50 50 ASN CB C 50 38.376 38.376 38.492 -0.117 25437 232 1 . 1 1 50 50 ASN H H 50 8.205 8.205 8.122 0.083 25437 233 1 . 1 1 51 51 ILE N N 51 120.639 120.639 116.228 4.411 25437 234 1 . 1 1 51 51 ILE HA H 51 4.095 4.095 4.177 -0.082 25437 235 1 . 1 1 51 51 ILE CA C 51 61.954 61.954 61.649 0.305 25437 236 1 . 1 1 51 51 ILE CB C 51 38.414 38.414 36.353 2.061 25437 237 1 . 1 1 51 51 ILE H H 51 7.939 7.939 7.357 0.582 25437 238 1 . 1 1 52 52 ALA N N 52 126.459 126.459 123.327 3.132 25437 239 1 . 1 1 52 52 ALA HA H 52 4.246 4.246 4.019 0.227 25437 240 1 . 1 1 52 52 ALA CA C 52 53.189 53.189 54.224 -1.035 25437 241 1 . 1 1 52 52 ALA CB C 52 18.453 18.453 18.239 0.214 25437 242 1 . 1 1 52 52 ALA H H 52 8.251 8.251 8.136 0.115 25437 243 1 . 1 1 53 53 ASN N N 53 116.801 116.801 116.826 -0.025 25437 244 1 . 1 1 53 53 ASN HA H 53 4.648 4.648 4.514 0.134 25437 245 1 . 1 1 53 53 ASN CA C 53 53.425 53.425 54.881 -1.456 25437 246 1 . 1 1 53 53 ASN CB C 53 38.600 38.600 38.888 -0.288 25437 247 1 . 1 1 53 53 ASN H H 53 8.230 8.230 8.026 0.204 25437 248 1 . 1 1 54 54 GLY N N 54 108.549 108.549 106.262 2.287 25437 249 1 . 1 1 54 54 GLY CA C 54 45.746 45.746 45.029 0.717 25437 250 1 . 1 1 54 54 GLY H H 54 8.191 8.191 7.839 0.352 25437 251 1 . 1 1 55 55 THR N N 55 112.528 112.528 115.649 -3.121 25437 252 1 . 1 1 55 55 THR HA H 55 4.282 4.282 4.444 -0.162 25437 253 1 . 1 1 55 55 THR CA C 55 62.118 62.118 61.492 0.625 25437 254 1 . 1 1 55 55 THR CB C 55 69.796 69.796 69.756 0.039 25437 255 1 . 1 1 55 55 THR H H 55 8.003 8.003 7.765 0.238 25437 256 1 . 1 1 56 56 SER N N 56 116.986 116.986 121.782 -4.796 25437 257 1 . 1 1 56 56 SER HA H 56 4.362 4.362 4.392 -0.030 25437 258 1 . 1 1 56 56 SER CA C 56 58.454 58.454 59.486 -1.032 25437 259 1 . 1 1 56 56 SER CB C 56 63.762 63.762 63.339 0.423 25437 260 1 . 1 1 56 56 SER H H 56 8.043 8.043 8.554 -0.511 25437 261 1 . 1 1 57 57 PHE N N 57 121.981 121.981 121.357 0.624 25437 262 1 . 1 1 57 57 PHE HA H 57 4.579 4.579 4.346 0.233 25437 263 1 . 1 1 57 57 PHE CA C 57 57.929 57.929 60.186 -2.257 25437 264 1 . 1 1 57 57 PHE CB C 57 39.068 39.068 38.953 0.115 25437 265 1 . 1 1 57 57 PHE H H 57 8.120 8.120 8.039 0.081 25437 266 1 . 1 1 58 58 LEU N N 58 121.621 121.621 119.217 2.404 25437 267 1 . 1 1 58 58 LEU HA H 58 4.174 4.174 4.478 -0.304 25437 268 1 . 1 1 58 58 LEU CA C 58 55.350 55.350 54.031 1.319 25437 269 1 . 1 1 58 58 LEU CB C 58 42.340 42.340 40.690 1.650 25437 270 1 . 1 1 58 58 LEU H H 58 7.806 7.806 7.491 0.315 25437 271 1 . 1 1 59 59 LYS N N 59 120.388 120.388 120.358 0.030 25437 272 1 . 1 1 59 59 LYS HA H 59 4.230 4.230 4.136 0.094 25437 273 1 . 1 1 59 59 LYS CA C 59 55.823 55.823 56.796 -0.973 25437 274 1 . 1 1 59 59 LYS CB C 59 32.616 32.616 32.206 0.410 25437 275 1 . 1 1 59 59 LYS H H 59 8.068 8.068 7.538 0.530 25437 276 1 . 1 1 60 60 ASP N N 60 121.094 121.094 121.825 -0.731 25437 277 1 . 1 1 60 60 ASP HA H 60 4.828 4.828 4.733 0.095 25437 278 1 . 1 1 60 60 ASP CA C 60 53.698 53.698 53.337 0.361 25437 279 1 . 1 1 60 60 ASP CB C 60 41.652 41.652 40.806 0.846 25437 280 1 . 1 1 60 60 ASP H H 60 7.959 7.959 8.345 -0.386 25437 281 1 . 1 1 61 61 PRO HA H 61 4.388 4.388 4.515 -0.127 25437 282 1 . 1 1 61 61 PRO CA C 61 63.263 63.263 63.279 -0.015 25437 283 1 . 1 1 61 61 PRO CB C 61 31.697 31.697 31.249 0.448 25437 284 1 . 1 1 62 62 SER N N 62 115.353 115.353 115.837 -0.484 25437 285 1 . 1 1 62 62 SER HA H 62 4.365 4.365 4.562 -0.197 25437 286 1 . 1 1 62 62 SER CA C 62 59.258 59.258 57.540 1.718 25437 287 1 . 1 1 62 62 SER CB C 62 63.634 63.634 63.612 0.022 25437 288 1 . 1 1 62 62 SER H H 62 8.420 8.420 8.319 0.101 25437 289 1 . 1 1 63 63 LYS N N 63 122.360 122.360 121.326 1.034 25437 290 1 . 1 1 63 63 LYS HA H 63 4.266 4.266 4.215 0.051 25437 291 1 . 1 1 63 63 LYS CA C 63 56.628 56.628 57.752 -1.124 25437 292 1 . 1 1 63 63 LYS CB C 63 29.327 29.327 32.562 -3.235 25437 293 1 . 1 1 63 63 LYS H H 63 8.405 8.405 8.255 0.150 25437 294 1 . 1 1 65 65 LYS N N 65 125.418 125.418 119.992 5.426 25437 295 1 . 1 1 65 65 LYS HA H 65 4.146 4.146 4.541 -0.395 25437 296 1 . 1 1 65 65 LYS CA C 65 63.350 63.350 57.015 6.335 25437 297 1 . 1 1 65 65 LYS CB C 65 31.891 31.891 32.898 -1.007 25437 298 1 . 1 1 65 65 LYS H H 65 8.369 8.369 8.906 -0.537 25437 299 1 . 1 1 66 66 HIS N N 66 121.236 121.236 119.704 1.532 25437 300 1 . 1 1 66 66 HIS HA H 66 4.545 4.545 4.409 0.136 25437 301 1 . 1 1 66 66 HIS CA C 66 59.256 59.256 59.396 -0.140 25437 302 1 . 1 1 66 66 HIS CB C 66 28.619 28.619 29.557 -0.938 25437 303 1 . 1 1 66 66 HIS H H 66 8.758 8.758 8.552 0.206 25437 304 1 . 1 1 67 67 ILE N N 67 120.137 120.137 118.578 1.559 25437 305 1 . 1 1 67 67 ILE HA H 67 4.372 4.372 3.978 0.394 25437 306 1 . 1 1 67 67 ILE CA C 67 63.961 63.961 63.616 0.345 25437 307 1 . 1 1 67 67 ILE CB C 67 37.935 37.935 36.583 1.352 25437 308 1 . 1 1 67 67 ILE H H 67 7.849 7.849 8.273 -0.424 25437 309 1 . 1 1 68 68 THR N N 68 104.067 104.067 109.348 -5.281 25437 310 1 . 1 1 68 68 THR HA H 68 4.397 4.397 4.413 -0.016 25437 311 1 . 1 1 68 68 THR CA C 68 61.343 61.343 61.757 -0.414 25437 312 1 . 1 1 68 68 THR CB C 68 68.473 68.473 69.480 -1.007 25437 313 1 . 1 1 68 68 THR H H 68 7.168 7.168 7.757 -0.589 25437 314 1 . 1 1 69 69 GLY N N 69 107.308 107.308 110.600 -3.292 25437 315 1 . 1 1 69 69 GLY CA C 69 46.665 46.665 46.268 0.397 25437 316 1 . 1 1 69 69 GLY H H 69 7.169 7.169 7.748 -0.579 25437 317 1 . 1 1 70 70 ASP N N 70 114.629 114.629 118.796 -4.167 25437 318 1 . 1 1 70 70 ASP HA H 70 4.734 4.734 4.675 0.059 25437 319 1 . 1 1 70 70 ASP CA C 70 54.627 54.627 53.863 0.764 25437 320 1 . 1 1 70 70 ASP CB C 70 44.451 44.451 40.999 3.452 25437 321 1 . 1 1 70 70 ASP H H 70 7.644 7.644 7.764 -0.120 25437 322 1 . 1 1 71 71 ALA N N 71 118.917 118.917 118.516 0.401 25437 323 1 . 1 1 71 71 ALA HA H 71 5.062 5.062 4.931 0.131 25437 324 1 . 1 1 71 71 ALA CA C 71 51.498 51.498 51.287 0.211 25437 325 1 . 1 1 71 71 ALA CB C 71 21.994 21.994 21.791 0.203 25437 326 1 . 1 1 71 71 ALA H H 71 7.529 7.529 7.306 0.223 25437 327 1 . 1 1 72 72 ILE N N 72 110.818 110.818 113.458 -2.640 25437 328 1 . 1 1 72 72 ILE HA H 72 5.249 5.249 4.514 0.735 25437 329 1 . 1 1 72 72 ILE CA C 72 58.821 58.821 60.362 -1.541 25437 330 1 . 1 1 72 72 ILE CB C 72 43.709 43.709 42.080 1.629 25437 331 1 . 1 1 72 72 ILE H H 72 8.449 8.449 8.731 -0.282 25437 332 1 . 1 1 73 73 ASP N N 73 117.790 117.790 121.261 -3.471 25437 333 1 . 1 1 73 73 ASP HA H 73 6.094 6.094 5.479 0.615 25437 334 1 . 1 1 73 73 ASP CA C 73 52.090 52.090 53.217 -1.127 25437 335 1 . 1 1 73 73 ASP CB C 73 42.655 42.655 45.161 -2.506 25437 336 1 . 1 1 73 73 ASP H H 73 8.442 8.442 8.896 -0.454 25437 337 1 . 1 1 74 74 PHE N N 74 122.479 122.479 121.244 1.235 25437 338 1 . 1 1 74 74 PHE HA H 74 6.173 6.173 5.435 0.738 25437 339 1 . 1 1 74 74 PHE CA C 74 54.775 54.775 56.010 -1.235 25437 340 1 . 1 1 74 74 PHE CB C 74 44.115 44.115 42.650 1.465 25437 341 1 . 1 1 74 74 PHE H H 74 9.463 9.463 8.415 1.048 25437 342 1 . 1 1 75 75 ALA N N 75 118.862 118.862 121.386 -2.524 25437 343 1 . 1 1 75 75 ALA HA H 75 4.453 4.453 4.364 0.089 25437 344 1 . 1 1 75 75 ALA CA C 75 50.134 50.134 48.928 1.206 25437 345 1 . 1 1 75 75 ALA CB C 75 21.020 21.020 21.349 -0.329 25437 346 1 . 1 1 75 75 ALA H H 75 8.575 8.575 9.126 -0.551 25437 347 1 . 1 1 76 76 PRO HA H 76 4.466 4.466 4.701 -0.235 25437 348 1 . 1 1 76 76 PRO CA C 76 62.353 62.353 62.874 -0.521 25437 349 1 . 1 1 76 76 PRO CB C 76 32.135 32.135 31.155 0.980 25437 350 1 . 1 1 77 77 TYR N N 77 126.211 126.211 126.113 0.098 25437 351 1 . 1 1 77 77 TYR HA H 77 4.835 4.835 4.572 0.263 25437 352 1 . 1 1 77 77 TYR CA C 77 56.830 56.830 58.893 -2.063 25437 353 1 . 1 1 77 77 TYR CB C 77 40.384 40.384 40.491 -0.107 25437 354 1 . 1 1 77 77 TYR H H 77 8.357 8.357 8.481 -0.124 25437 355 1 . 1 1 78 78 ILE N N 78 124.613 124.613 124.380 0.233 25437 356 1 . 1 1 78 78 ILE HA H 78 4.210 4.210 4.289 -0.079 25437 357 1 . 1 1 78 78 ILE CA C 78 59.941 59.941 60.518 -0.577 25437 358 1 . 1 1 78 78 ILE CB C 78 40.652 40.652 41.731 -1.079 25437 359 1 . 1 1 78 78 ILE H H 78 8.334 8.334 8.887 -0.553 25437 360 1 . 1 1 79 79 ASN N N 79 126.361 126.361 125.204 1.157 25437 361 1 . 1 1 79 79 ASN HA H 79 4.339 4.339 4.435 -0.096 25437 362 1 . 1 1 79 79 ASN CA C 79 53.937 53.937 53.798 0.139 25437 363 1 . 1 1 79 79 ASN CB C 79 36.887 36.887 37.658 -0.771 25437 364 1 . 1 1 79 79 ASN H H 79 9.444 9.444 9.160 0.284 25437 365 1 . 1 1 80 80 GLY N N 80 102.068 102.068 102.190 -0.122 25437 366 1 . 1 1 80 80 GLY CA C 80 45.663 45.663 45.669 -0.006 25437 367 1 . 1 1 80 80 GLY H H 80 8.240 8.240 8.787 -0.547 25437 368 1 . 1 1 81 81 LYS N N 81 117.260 117.260 117.054 0.206 25437 369 1 . 1 1 81 81 LYS HA H 81 4.534 4.534 4.318 0.216 25437 370 1 . 1 1 81 81 LYS CA C 81 54.226 54.226 53.759 0.467 25437 371 1 . 1 1 81 81 LYS CB C 81 35.655 35.655 35.521 0.134 25437 372 1 . 1 1 81 81 LYS H H 81 7.046 7.046 7.454 -0.408 25437 373 1 . 1 1 82 82 ILE N N 82 122.347 122.347 120.675 1.672 25437 374 1 . 1 1 82 82 ILE HA H 82 4.091 4.091 3.384 0.707 25437 375 1 . 1 1 82 82 ILE CA C 82 62.621 62.621 62.166 0.455 25437 376 1 . 1 1 82 82 ILE CB C 82 37.833 37.833 37.848 -0.015 25437 377 1 . 1 1 82 82 ILE H H 82 8.418 8.418 8.229 0.189 25437 378 1 . 1 1 83 83 ASP N N 83 128.498 128.498 126.869 1.629 25437 379 1 . 1 1 83 83 ASP HA H 83 4.808 4.808 4.694 0.114 25437 380 1 . 1 1 83 83 ASP CA C 83 51.619 51.619 53.023 -1.404 25437 381 1 . 1 1 83 83 ASP CB C 83 41.079 41.079 40.234 0.845 25437 382 1 . 1 1 83 83 ASP H H 83 8.028 8.028 8.229 -0.202 25437 383 1 . 1 1 84 84 TRP N N 84 121.807 121.807 123.655 -1.848 25437 384 1 . 1 1 84 84 TRP HA H 84 4.574 4.574 4.616 -0.042 25437 385 1 . 1 1 84 84 TRP CA C 84 58.456 58.456 58.270 0.186 25437 386 1 . 1 1 84 84 TRP CB C 84 30.177 30.177 30.628 -0.451 25437 387 1 . 1 1 84 84 TRP H H 84 8.081 8.081 8.031 0.050 25437 388 1 . 1 1 85 85 ASN N N 85 113.227 113.227 116.085 -2.858 25437 389 1 . 1 1 85 85 ASN HA H 85 4.975 4.975 4.791 0.184 25437 390 1 . 1 1 85 85 ASN CA C 85 53.430 53.430 53.852 -0.422 25437 391 1 . 1 1 85 85 ASN CB C 85 40.162 40.162 39.427 0.735 25437 392 1 . 1 1 85 85 ASN H H 85 8.386 8.386 8.164 0.222 25437 393 1 . 1 1 86 86 ASP N N 86 118.821 118.821 121.848 -3.027 25437 394 1 . 1 1 86 86 ASP HA H 86 4.813 4.813 4.774 0.039 25437 395 1 . 1 1 86 86 ASP CA C 86 52.255 52.255 53.706 -1.451 25437 396 1 . 1 1 86 86 ASP CB C 86 37.613 37.613 40.189 -2.576 25437 397 1 . 1 1 86 86 ASP H H 86 7.405 7.405 8.056 -0.651 25437 398 1 . 1 1 87 87 LEU N N 87 127.177 127.177 122.552 4.625 25437 399 1 . 1 1 87 87 LEU HA H 87 4.055 4.055 4.257 -0.202 25437 400 1 . 1 1 87 87 LEU CA C 87 58.321 58.321 56.971 1.350 25437 401 1 . 1 1 87 87 LEU CB C 87 40.887 40.887 41.894 -1.007 25437 402 1 . 1 1 87 87 LEU H H 87 8.274 8.274 7.945 0.329 25437 403 1 . 1 1 88 88 GLU N N 88 114.132 114.132 120.318 -6.186 25437 404 1 . 1 1 88 88 GLU HA H 88 3.938 3.938 3.781 0.157 25437 405 1 . 1 1 88 88 GLU CA C 88 59.437 59.437 59.394 0.043 25437 406 1 . 1 1 88 88 GLU CB C 88 27.987 27.987 29.161 -1.174 25437 407 1 . 1 1 88 88 GLU H H 88 8.257 8.257 8.327 -0.070 25437 408 1 . 1 1 89 89 ALA N N 89 122.075 122.075 120.918 1.157 25437 409 1 . 1 1 89 89 ALA HA H 89 3.799 3.799 4.320 -0.521 25437 410 1 . 1 1 89 89 ALA CA C 89 54.703 54.703 54.480 0.223 25437 411 1 . 1 1 89 89 ALA CB C 89 17.635 17.635 18.146 -0.511 25437 412 1 . 1 1 89 89 ALA H H 89 7.418 7.418 7.876 -0.458 25437 413 1 . 1 1 90 90 PHE N N 90 116.551 116.551 119.770 -3.219 25437 414 1 . 1 1 90 90 PHE HA H 90 4.025 4.025 4.257 -0.232 25437 415 1 . 1 1 90 90 PHE CA C 90 64.150 64.150 60.617 3.533 25437 416 1 . 1 1 90 90 PHE CB C 90 38.965 38.965 38.895 0.070 25437 417 1 . 1 1 90 90 PHE H H 90 7.777 7.777 7.539 0.238 25437 418 1 . 1 1 91 91 TRP N N 91 119.390 119.390 120.114 -0.724 25437 419 1 . 1 1 91 91 TRP HA H 91 4.578 4.578 4.205 0.373 25437 420 1 . 1 1 91 91 TRP CA C 91 59.217 59.217 60.327 -1.110 25437 421 1 . 1 1 91 91 TRP CB C 91 29.802 29.802 28.761 1.041 25437 422 1 . 1 1 91 91 TRP H H 91 7.821 7.821 8.090 -0.269 25437 423 1 . 1 1 92 92 ALA N N 92 121.275 121.275 122.038 -0.763 25437 424 1 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.037 0.087 25437 425 1 . 1 1 92 92 ALA CA C 92 55.229 55.229 54.770 0.459 25437 426 1 . 1 1 92 92 ALA CB C 92 18.870 18.870 18.275 0.595 25437 427 1 . 1 1 92 92 ALA H H 92 8.242 8.242 7.524 0.718 25437 428 1 . 1 1 93 93 VAL N N 93 120.454 120.454 118.712 1.742 25437 429 1 . 1 1 93 93 VAL HA H 93 3.600 3.600 3.752 -0.152 25437 430 1 . 1 1 93 93 VAL CA C 93 66.424 66.424 65.535 0.889 25437 431 1 . 1 1 93 93 VAL CB C 93 30.676 30.676 31.784 -1.107 25437 432 1 . 1 1 93 93 VAL H H 93 8.259 8.259 7.980 0.279 25437 433 1 . 1 1 94 94 LYS N N 94 122.098 122.098 120.085 2.013 25437 434 1 . 1 1 94 94 LYS HA H 94 3.690 3.690 3.854 -0.164 25437 435 1 . 1 1 94 94 LYS CA C 94 60.959 60.959 59.625 1.334 25437 436 1 . 1 1 94 94 LYS CB C 94 31.484 31.484 31.767 -0.283 25437 437 1 . 1 1 94 94 LYS H H 94 8.382 8.382 8.055 0.327 25437 438 1 . 1 1 95 95 LYS N N 95 118.030 118.030 118.636 -0.606 25437 439 1 . 1 1 95 95 LYS HA H 95 3.958 3.958 4.212 -0.254 25437 440 1 . 1 1 95 95 LYS CA C 95 59.212 59.212 59.022 0.190 25437 441 1 . 1 1 95 95 LYS CB C 95 31.219 31.219 32.136 -0.917 25437 442 1 . 1 1 95 95 LYS H H 95 7.957 7.957 7.584 0.373 25437 443 1 . 1 1 96 96 ALA N N 96 124.359 124.359 121.325 3.034 25437 444 1 . 1 1 96 96 ALA HA H 96 4.229 4.229 4.140 0.089 25437 445 1 . 1 1 96 96 ALA CA C 96 55.422 55.422 54.806 0.616 25437 446 1 . 1 1 96 96 ALA CB C 96 17.148 17.148 18.223 -1.075 25437 447 1 . 1 1 96 96 ALA H H 96 7.668 7.668 7.696 -0.028 25437 448 1 . 1 1 97 97 PHE N N 97 117.446 117.446 119.072 -1.626 25437 449 1 . 1 1 97 97 PHE HA H 97 3.883 3.883 4.144 -0.261 25437 450 1 . 1 1 97 97 PHE CA C 97 63.187 63.187 62.210 0.977 25437 451 1 . 1 1 97 97 PHE CB C 97 40.401 40.401 39.340 1.061 25437 452 1 . 1 1 97 97 PHE H H 97 8.369 8.369 7.978 0.391 25437 453 1 . 1 1 98 98 GLU N N 98 119.148 119.148 118.088 1.060 25437 454 1 . 1 1 98 98 GLU HA H 98 4.140 4.140 3.963 0.177 25437 455 1 . 1 1 98 98 GLU CA C 98 59.610 59.610 58.853 0.757 25437 456 1 . 1 1 98 98 GLU CB C 98 29.444 29.444 29.056 0.388 25437 457 1 . 1 1 98 98 GLU H H 98 8.821 8.821 8.081 0.740 25437 458 1 . 1 1 99 99 GLN N N 99 120.727 120.727 118.569 2.158 25437 459 1 . 1 1 99 99 GLN HA H 99 4.061 4.061 4.165 -0.104 25437 460 1 . 1 1 99 99 GLN CA C 99 59.130 59.130 58.006 1.124 25437 461 1 . 1 1 99 99 GLN CB C 99 27.524 27.524 28.747 -1.223 25437 462 1 . 1 1 99 99 GLN H H 99 8.436 8.436 7.913 0.522 25437 463 1 . 1 1 100 100 ALA N N 100 122.603 122.603 122.459 0.144 25437 464 1 . 1 1 100 100 ALA HA H 100 3.886 3.886 4.123 -0.237 25437 465 1 . 1 1 100 100 ALA CA C 100 55.399 55.399 54.833 0.566 25437 466 1 . 1 1 100 100 ALA CB C 100 19.472 19.472 18.206 1.266 25437 467 1 . 1 1 100 100 ALA H H 100 8.433 8.433 8.286 0.147 25437 468 1 . 1 1 101 101 GLY N N 101 104.253 104.253 105.150 -0.897 25437 469 1 . 1 1 101 101 GLY CA C 101 47.843 47.843 46.559 1.284 25437 470 1 . 1 1 101 101 GLY H H 101 9.035 9.035 8.015 1.020 25437 471 1 . 1 1 102 102 LYS N N 102 121.912 121.912 121.425 0.487 25437 472 1 . 1 1 102 102 LYS HA H 102 4.116 4.116 4.054 0.062 25437 473 1 . 1 1 102 102 LYS CA C 102 59.314 59.314 59.164 0.150 25437 474 1 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.325 -0.146 25437 475 1 . 1 1 102 102 LYS H H 102 7.928 7.928 7.588 0.340 25437 476 1 . 1 1 103 103 GLU N N 103 119.382 119.382 118.707 0.675 25437 477 1 . 1 1 103 103 GLU HA H 103 3.989 3.989 4.157 -0.168 25437 478 1 . 1 1 103 103 GLU CA C 103 59.093 59.093 58.336 0.757 25437 479 1 . 1 1 103 103 GLU CB C 103 30.127 30.127 29.469 0.658 25437 480 1 . 1 1 103 103 GLU H H 103 8.406 8.406 7.672 0.734 25437 481 1 . 1 1 104 104 LEU N N 104 115.551 115.551 118.445 -2.894 25437 482 1 . 1 1 104 104 LEU HA H 104 4.360 4.360 4.204 0.156 25437 483 1 . 1 1 104 104 LEU CA C 104 55.185 55.185 55.640 -0.455 25437 484 1 . 1 1 104 104 LEU CB C 104 43.105 43.105 42.286 0.819 25437 485 1 . 1 1 104 104 LEU H H 104 7.999 7.999 8.225 -0.226 25437 486 1 . 1 1 105 105 GLY N N 105 110.561 110.561 105.466 5.095 25437 487 1 . 1 1 105 105 GLY CA C 105 46.480 46.480 45.472 1.008 25437 488 1 . 1 1 105 105 GLY H H 105 7.898 7.898 7.613 0.285 25437 489 1 . 1 1 106 106 ILE N N 106 121.745 121.745 121.576 0.169 25437 490 1 . 1 1 106 106 ILE HA H 106 4.227 4.227 3.965 0.262 25437 491 1 . 1 1 106 106 ILE CA C 106 59.717 59.717 61.301 -1.584 25437 492 1 . 1 1 106 106 ILE CB C 106 41.096 41.096 38.711 2.385 25437 493 1 . 1 1 106 106 ILE H H 106 8.428 8.428 7.704 0.724 25437 494 1 . 1 1 107 107 LYS N N 107 127.736 127.736 127.268 0.468 25437 495 1 . 1 1 107 107 LYS HA H 107 4.275 4.275 4.153 0.122 25437 496 1 . 1 1 107 107 LYS CA C 107 57.224 57.224 57.349 -0.125 25437 497 1 . 1 1 107 107 LYS CB C 107 32.752 32.752 32.609 0.143 25437 498 1 . 1 1 107 107 LYS H H 107 8.489 8.489 8.509 -0.020 25437 499 1 . 1 1 108 108 LEU N N 108 122.881 122.881 123.230 -0.349 25437 500 1 . 1 1 108 108 LEU HA H 108 5.235 5.235 4.613 0.622 25437 501 1 . 1 1 108 108 LEU CA C 108 53.287 53.287 54.632 -1.345 25437 502 1 . 1 1 108 108 LEU CB C 108 47.016 47.016 44.453 2.563 25437 503 1 . 1 1 108 108 LEU H H 108 8.049 8.049 8.154 -0.105 25437 504 1 . 1 1 109 109 ARG N N 109 120.726 120.726 123.982 -3.256 25437 505 1 . 1 1 109 109 ARG HA H 109 4.438 4.438 4.126 0.312 25437 506 1 . 1 1 109 109 ARG CA C 109 55.193 55.193 55.440 -0.247 25437 507 1 . 1 1 109 109 ARG CB C 109 33.519 33.519 34.436 -0.917 25437 508 1 . 1 1 109 109 ARG H H 109 8.736 8.736 7.972 0.764 25437 509 1 . 1 1 110 110 PHE N N 110 121.516 121.516 120.438 1.078 25437 510 1 . 1 1 110 110 PHE HA H 110 5.303 5.303 4.983 0.320 25437 511 1 . 1 1 110 110 PHE CA C 110 56.644 56.644 55.901 0.743 25437 512 1 . 1 1 110 110 PHE CB C 110 40.602 40.602 39.809 0.793 25437 513 1 . 1 1 110 110 PHE H H 110 8.707 8.707 8.210 0.497 25437 514 1 . 1 1 111 111 GLY N N 111 108.992 108.992 110.147 -1.155 25437 515 1 . 1 1 111 111 GLY CA C 111 45.604 45.604 45.010 0.594 25437 516 1 . 1 1 111 111 GLY H H 111 7.819 7.819 8.633 -0.814 25437 517 1 . 1 1 112 112 ALA N N 112 111.448 111.448 125.164 -13.716 25437 518 1 . 1 1 112 112 ALA HA H 112 3.858 3.858 4.543 -0.685 25437 519 1 . 1 1 112 112 ALA CA C 112 52.083 52.083 52.759 -0.676 25437 520 1 . 1 1 112 112 ALA CB C 112 18.655 18.655 19.698 -1.043 25437 521 1 . 1 1 112 112 ALA H H 112 7.945 7.945 8.136 -0.191 25437 522 1 . 1 1 113 113 ASP N N 113 106.770 106.770 119.152 -12.382 25437 523 1 . 1 1 113 113 ASP HA H 113 5.157 5.157 4.545 0.613 25437 524 1 . 1 1 113 113 ASP CA C 113 52.285 52.285 56.063 -3.778 25437 525 1 . 1 1 113 113 ASP CB C 113 41.465 41.465 40.928 0.537 25437 526 1 . 1 1 113 113 ASP H H 113 7.000 7.000 8.528 -1.528 25437 527 1 . 1 1 114 114 TRP N N 114 119.829 119.829 119.901 -0.072 25437 528 1 . 1 1 114 114 TRP HA H 114 4.184 4.184 4.398 -0.214 25437 529 1 . 1 1 114 114 TRP CA C 114 61.455 61.455 60.318 1.137 25437 530 1 . 1 1 114 114 TRP CB C 114 26.427 26.427 29.223 -2.796 25437 531 1 . 1 1 114 114 TRP H H 114 7.589 7.589 8.324 -0.735 25437 532 1 . 1 1 115 115 ASN N N 115 117.900 117.900 117.086 0.814 25437 533 1 . 1 1 115 115 ASN HA H 115 4.548 4.548 4.474 0.074 25437 534 1 . 1 1 115 115 ASN CA C 115 55.955 55.955 55.540 0.415 25437 535 1 . 1 1 115 115 ASN CB C 115 36.818 36.818 37.781 -0.963 25437 536 1 . 1 1 115 115 ASN H H 115 9.503 9.503 8.287 1.216 25437 537 1 . 1 1 116 116 ALA N N 116 123.758 123.758 121.813 1.945 25437 538 1 . 1 1 116 116 ALA HA H 116 4.181 4.181 4.154 0.027 25437 539 1 . 1 1 116 116 ALA CA C 116 53.111 53.111 54.093 -0.982 25437 540 1 . 1 1 116 116 ALA CB C 116 16.596 16.596 18.282 -1.686 25437 541 1 . 1 1 116 116 ALA H H 116 8.079 8.079 7.721 0.358 25437 542 1 . 1 1 117 117 SER N N 117 116.009 116.009 113.305 2.704 25437 543 1 . 1 1 117 117 SER HA H 117 4.417 4.417 4.199 0.218 25437 544 1 . 1 1 117 117 SER CA C 117 59.433 59.433 60.120 -0.687 25437 545 1 . 1 1 117 117 SER CB C 117 65.026 65.026 63.553 1.473 25437 546 1 . 1 1 117 117 SER H H 117 9.460 9.460 7.803 1.657 25437 547 1 . 1 1 118 118 GLY N N 118 115.031 115.031 109.078 5.953 25437 548 1 . 1 1 118 118 GLY CA C 118 45.197 45.197 45.099 0.098 25437 549 1 . 1 1 118 118 GLY H H 118 10.733 10.733 7.785 2.948 25437 550 1 . 1 1 119 119 ASP N N 119 116.435 116.435 120.827 -4.392 25437 551 1 . 1 1 119 119 ASP HA H 119 4.590 4.590 4.687 -0.097 25437 552 1 . 1 1 119 119 ASP CA C 119 53.181 53.181 53.413 -0.232 25437 553 1 . 1 1 119 119 ASP CB C 119 43.864 43.864 42.454 1.410 25437 554 1 . 1 1 119 119 ASP H H 119 7.770 7.770 8.020 -0.250 25437 555 1 . 1 1 120 120 TYR N N 120 120.253 120.253 119.611 0.642 25437 556 1 . 1 1 120 120 TYR HA H 120 6.088 6.088 4.615 1.473 25437 557 1 . 1 1 120 120 TYR CA C 120 56.003 56.003 57.776 -1.773 25437 558 1 . 1 1 120 120 TYR CB C 120 40.371 40.371 38.571 1.800 25437 559 1 . 1 1 120 120 TYR H H 120 6.801 6.801 8.465 -1.664 25437 560 1 . 1 1 121 121 HIS HA H 121 4.537 4.537 4.488 0.049 25437 561 1 . 1 1 121 121 HIS CA C 121 59.002 59.002 57.394 1.608 25437 562 1 . 1 1 121 121 HIS CB C 121 27.950 27.950 29.971 -2.021 25437 563 1 . 1 1 122 122 ASP N N 122 111.622 111.622 118.340 -6.718 25437 564 1 . 1 1 122 122 ASP HA H 122 4.815 4.815 4.482 0.333 25437 565 1 . 1 1 122 122 ASP CA C 122 51.612 51.612 54.935 -3.324 25437 566 1 . 1 1 122 122 ASP CB C 122 36.980 36.980 40.626 -3.645 25437 567 1 . 1 1 122 122 ASP H H 122 8.154 8.154 8.199 -0.045 25437 568 1 . 1 1 124 124 ILE N N 124 119.763 119.763 115.679 4.084 25437 569 1 . 1 1 124 124 ILE HA H 124 3.843 3.843 3.843 0.000 25437 570 1 . 1 1 124 124 ILE CA C 124 64.714 64.714 63.405 1.308 25437 571 1 . 1 1 124 124 ILE CB C 124 36.859 36.859 37.582 -0.723 25437 572 1 . 1 1 124 124 ILE H H 124 7.639 7.639 8.339 -0.700 25437 573 1 . 1 1 125 125 LYS N N 125 121.010 121.010 118.465 2.545 25437 574 1 . 1 1 125 125 LYS HA H 125 4.109 4.109 4.091 0.018 25437 575 1 . 1 1 125 125 LYS CA C 125 59.241 59.241 58.303 0.938 25437 576 1 . 1 1 125 125 LYS CB C 125 31.985 31.985 31.826 0.159 25437 577 1 . 1 1 125 125 LYS H H 125 7.739 7.739 8.213 -0.474 25437 578 1 . 1 1 126 126 ARG N N 126 115.276 115.276 117.756 -2.480 25437 579 1 . 1 1 126 126 ARG HA H 126 4.338 4.338 4.283 0.055 25437 580 1 . 1 1 126 126 ARG CA C 126 57.189 57.189 56.183 1.006 25437 581 1 . 1 1 126 126 ARG CB C 126 31.015 31.015 30.896 0.119 25437 582 1 . 1 1 126 126 ARG H H 126 7.904 7.904 7.723 0.181 25437 583 1 . 1 1 127 127 GLY N N 127 107.767 107.767 108.325 -0.558 25437 584 1 . 1 1 127 127 GLY CA C 127 45.822 45.822 45.329 0.493 25437 585 1 . 1 1 127 127 GLY H H 127 7.912 7.912 8.016 -0.104 25437 586 1 . 1 1 128 128 THR N N 128 107.570 107.570 113.098 -5.528 25437 587 1 . 1 1 128 128 THR HA H 128 4.252 4.252 4.477 -0.225 25437 588 1 . 1 1 128 128 THR CA C 128 60.620 60.620 60.118 0.502 25437 589 1 . 1 1 128 128 THR CB C 128 69.224 69.224 70.412 -1.188 25437 590 1 . 1 1 128 128 THR H H 128 8.121 8.121 7.457 0.664 25437 591 1 . 1 1 129 129 TYR N N 129 123.143 123.143 122.593 0.550 25437 592 1 . 1 1 129 129 TYR HA H 129 4.173 4.173 4.607 -0.434 25437 593 1 . 1 1 129 129 TYR CA C 129 61.448 61.448 57.603 3.846 25437 594 1 . 1 1 129 129 TYR CB C 129 38.796 38.796 38.782 0.014 25437 595 1 . 1 1 129 129 TYR H H 129 7.209 7.209 8.662 -1.453 25437 596 1 . 1 1 130 130 ASP N N 130 117.930 117.930 121.424 -3.494 25437 597 1 . 1 1 130 130 ASP HA H 130 4.641 4.641 4.305 0.336 25437 598 1 . 1 1 130 130 ASP CA C 130 53.440 53.440 56.261 -2.821 25437 599 1 . 1 1 130 130 ASP CB C 130 43.221 43.221 40.399 2.822 25437 600 1 . 1 1 130 130 ASP H H 130 8.216 8.216 7.782 0.434 25437 601 1 . 1 1 132 132 GLY N N 132 107.481 107.481 109.637 -2.156 25437 602 1 . 1 1 132 132 GLY CA C 132 44.013 44.013 44.768 -0.755 25437 603 1 . 1 1 132 132 GLY H H 132 8.304 8.304 7.494 0.810 25437 604 1 . 1 1 133 133 HIS N N 133 117.609 117.609 121.880 -4.271 25437 605 1 . 1 1 133 133 HIS HA H 133 5.430 5.430 4.636 0.794 25437 606 1 . 1 1 133 133 HIS CA C 133 57.155 57.155 56.674 0.481 25437 607 1 . 1 1 133 133 HIS CB C 133 31.667 31.667 30.238 1.429 25437 608 1 . 1 1 133 133 HIS H H 133 6.942 6.942 7.432 -0.490 25437 609 1 . 1 1 134 134 VAL N N 134 133.201 133.201 121.942 11.259 25437 610 1 . 1 1 134 134 VAL HA H 134 4.254 4.254 4.775 -0.521 25437 611 1 . 1 1 134 134 VAL CA C 134 61.676 61.676 60.160 1.516 25437 612 1 . 1 1 134 134 VAL CB C 134 34.775 34.775 33.714 1.061 25437 613 1 . 1 1 134 134 VAL H H 134 9.127 9.127 8.220 0.908 25437 614 1 . 1 1 135 135 GLU N N 135 119.904 119.904 124.112 -4.208 25437 615 1 . 1 1 135 135 GLU HA H 135 5.458 5.458 4.936 0.522 25437 616 1 . 1 1 135 135 GLU CA C 135 52.126 52.126 53.542 -1.417 25437 617 1 . 1 1 135 135 GLU CB C 135 34.550 34.550 33.501 1.049 25437 618 1 . 1 1 135 135 GLU H H 135 8.501 8.501 8.027 0.474 25437 619 1 . 1 1 136 136 LEU N N 136 119.357 119.357 122.264 -2.908 25437 620 1 . 1 1 136 136 LEU HA H 136 4.432 4.432 4.467 -0.035 25437 621 1 . 1 1 136 136 LEU CA C 136 54.772 54.772 55.124 -0.353 25437 622 1 . 1 1 136 136 LEU CB C 136 42.524 42.524 42.062 0.462 25437 623 1 . 1 1 136 136 LEU H H 136 8.280 8.280 8.383 -0.103 25437 stop_ save_