data_18733 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18733 _Entry.PDB_ID 2LYY 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 18733 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ASN HA H 2 4.590 4.590 4.756 -0.166 18733 2 1 1 . 1 1 2 2 ASN CA C 2 53.554 53.554 53.479 0.075 18733 3 1 1 . 1 1 2 2 ASN CB C 2 38.650 38.650 38.894 -0.244 18733 4 1 1 . 1 1 3 3 ASN HA H 3 4.526 4.526 5.009 -0.483 18733 5 1 1 . 1 1 3 3 ASN CA C 3 53.720 53.720 52.680 1.040 18733 6 1 1 . 1 1 3 3 ASN CB C 3 38.473 38.473 40.615 -2.142 18733 7 1 1 . 1 1 4 4 GLU N N 4 121.638 121.638 122.582 -0.944 18733 8 1 1 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.261 -0.175 18733 9 1 1 . 1 1 4 4 GLU CA C 4 57.656 57.656 58.175 -0.519 18733 10 1 1 . 1 1 4 4 GLU CB C 4 29.649 29.649 29.992 -0.344 18733 11 1 1 . 1 1 5 5 ASN N N 5 118.543 118.543 116.921 1.622 18733 12 1 1 . 1 1 5 5 ASN HA H 5 4.531 4.531 4.826 -0.295 18733 13 1 1 . 1 1 5 5 ASN CA C 5 55.114 55.114 53.259 1.855 18733 14 1 1 . 1 1 5 5 ASN CB C 5 38.417 38.417 40.179 -1.762 18733 15 1 1 . 1 1 6 6 ALA N N 6 123.531 123.531 123.679 -0.148 18733 16 1 1 . 1 1 6 6 ALA HA H 6 4.057 4.057 4.149 -0.092 18733 17 1 1 . 1 1 6 6 ALA CA C 6 55.266 55.266 50.475 4.791 18733 18 1 1 . 1 1 6 6 ALA CB C 6 18.099 18.099 19.649 -1.550 18733 19 1 1 . 1 1 7 7 PHE N N 7 119.588 119.588 117.466 2.122 18733 20 1 1 . 1 1 7 7 PHE HA H 7 3.777 3.777 4.693 -0.916 18733 21 1 1 . 1 1 7 7 PHE CA C 7 61.179 61.179 54.239 6.940 18733 22 1 1 . 1 1 7 7 PHE CB C 7 38.947 38.947 36.012 2.935 18733 23 1 1 . 1 1 8 8 TYR N N 8 116.300 116.300 123.271 -6.971 18733 24 1 1 . 1 1 8 8 TYR HA H 8 4.007 4.007 4.137 -0.130 18733 25 1 1 . 1 1 8 8 TYR CA C 8 61.117 61.117 62.952 -1.835 18733 26 1 1 . 1 1 8 8 TYR CB C 8 37.370 37.370 37.359 0.010 18733 27 1 1 . 1 1 9 9 ALA N N 9 124.516 124.516 119.661 4.855 18733 28 1 1 . 1 1 9 9 ALA HA H 9 4.074 4.074 4.005 0.070 18733 29 1 1 . 1 1 9 9 ALA CA C 9 55.415 55.415 55.095 0.320 18733 30 1 1 . 1 1 9 9 ALA CB C 9 17.797 17.797 18.341 -0.544 18733 31 1 1 . 1 1 10 10 ARG N N 10 118.255 118.255 119.109 -0.854 18733 32 1 1 . 1 1 10 10 ARG HA H 10 3.857 3.857 4.103 -0.246 18733 33 1 1 . 1 1 10 10 ARG CA C 10 60.070 60.070 58.834 1.236 18733 34 1 1 . 1 1 10 10 ARG CB C 10 31.179 31.179 30.369 0.810 18733 35 1 1 . 1 1 11 11 ALA N N 11 119.258 119.258 121.918 -2.660 18733 36 1 1 . 1 1 11 11 ALA HA H 11 4.079 4.079 4.072 0.007 18733 37 1 1 . 1 1 11 11 ALA CA C 11 55.152 55.152 54.887 0.265 18733 38 1 1 . 1 1 11 11 ALA CB C 11 19.072 19.072 17.920 1.152 18733 39 1 1 . 1 1 12 12 THR N N 12 114.669 114.669 114.122 0.547 18733 40 1 1 . 1 1 12 12 THR HA H 12 3.761 3.761 4.014 -0.253 18733 41 1 1 . 1 1 12 12 THR CA C 12 67.028 67.028 66.554 0.474 18733 42 1 1 . 1 1 12 12 THR CB C 12 68.661 68.661 68.850 -0.189 18733 43 1 1 . 1 1 13 13 GLU N N 13 120.838 120.838 121.630 -0.792 18733 44 1 1 . 1 1 13 13 GLU HA H 13 3.782 3.782 4.123 -0.341 18733 45 1 1 . 1 1 13 13 GLU CA C 13 59.781 59.781 59.027 0.754 18733 46 1 1 . 1 1 13 13 GLU CB C 13 29.713 29.713 29.412 0.301 18733 47 1 1 . 1 1 14 14 LEU N N 14 119.831 119.831 120.310 -0.479 18733 48 1 1 . 1 1 14 14 LEU HA H 14 3.616 3.616 4.149 -0.533 18733 49 1 1 . 1 1 14 14 LEU CA C 14 58.363 58.363 58.050 0.313 18733 50 1 1 . 1 1 14 14 LEU CB C 14 42.109 42.109 41.371 0.738 18733 51 1 1 . 1 1 15 15 ILE N N 15 119.150 119.150 117.858 1.292 18733 52 1 1 . 1 1 15 15 ILE HA H 15 3.376 3.376 3.556 -0.180 18733 53 1 1 . 1 1 15 15 ILE CA C 15 66.274 66.274 64.698 1.576 18733 54 1 1 . 1 1 15 15 ILE CB C 15 38.343 38.343 37.376 0.967 18733 55 1 1 . 1 1 16 16 LYS N N 16 118.734 118.734 120.789 -2.055 18733 56 1 1 . 1 1 16 16 LYS HA H 16 3.808 3.808 4.072 -0.264 18733 57 1 1 . 1 1 16 16 LYS CA C 16 59.950 59.950 59.064 0.886 18733 58 1 1 . 1 1 16 16 LYS CB C 16 32.109 32.109 31.997 0.112 18733 59 1 1 . 1 1 17 17 LEU N N 17 121.376 121.376 119.959 1.417 18733 60 1 1 . 1 1 17 17 LEU HA H 17 4.017 4.017 4.170 -0.153 18733 61 1 1 . 1 1 17 17 LEU CA C 17 57.733 57.733 57.689 0.044 18733 62 1 1 . 1 1 17 17 LEU CB C 17 40.385 40.385 41.210 -0.825 18733 63 1 1 . 1 1 18 18 ALA N N 18 123.298 123.298 121.147 2.151 18733 64 1 1 . 1 1 18 18 ALA HA H 18 3.547 3.547 4.029 -0.482 18733 65 1 1 . 1 1 18 18 ALA CA C 18 55.031 55.031 54.868 0.163 18733 66 1 1 . 1 1 18 18 ALA CB C 18 17.716 17.716 18.375 -0.659 18733 67 1 1 . 1 1 19 19 ASN N N 19 114.581 114.581 116.444 -1.863 18733 68 1 1 . 1 1 19 19 ASN HA H 19 4.504 4.504 4.362 0.142 18733 69 1 1 . 1 1 19 19 ASN CA C 19 55.633 55.633 56.431 -0.798 18733 70 1 1 . 1 1 19 19 ASN CB C 19 37.683 37.683 38.414 -0.731 18733 71 1 1 . 1 1 20 20 GLN N N 20 122.054 122.054 117.766 4.288 18733 72 1 1 . 1 1 20 20 GLN HA H 20 3.959 3.959 4.438 -0.479 18733 73 1 1 . 1 1 20 20 GLN CA C 20 58.913 58.913 58.315 0.598 18733 74 1 1 . 1 1 20 20 GLN CB C 20 28.293 28.293 28.430 -0.137 18733 75 1 1 . 1 1 21 21 GLN N N 21 120.962 120.962 118.125 2.837 18733 76 1 1 . 1 1 21 21 GLN HA H 21 3.863 3.863 4.194 -0.331 18733 77 1 1 . 1 1 21 21 GLN CA C 21 58.371 58.371 58.180 0.191 18733 78 1 1 . 1 1 21 21 GLN CB C 21 27.603 27.603 28.469 -0.866 18733 79 1 1 . 1 1 22 22 ASN N N 22 114.486 114.486 117.121 -2.635 18733 80 1 1 . 1 1 22 22 ASN HA H 22 4.550 4.550 4.588 -0.038 18733 81 1 1 . 1 1 22 22 ASN CA C 22 53.545 53.545 53.630 -0.085 18733 82 1 1 . 1 1 22 22 ASN CB C 22 39.752 39.752 38.648 1.104 18733 83 1 1 . 1 1 23 23 GLN N N 23 117.002 117.002 116.559 0.443 18733 84 1 1 . 1 1 23 23 GLN HA H 23 4.121 4.121 4.177 -0.056 18733 85 1 1 . 1 1 23 23 GLN CA C 23 56.336 56.336 56.548 -0.212 18733 86 1 1 . 1 1 23 23 GLN CB C 23 28.367 28.367 28.797 -0.430 18733 87 1 1 . 1 1 24 24 ASN N N 24 117.868 117.868 118.558 -0.690 18733 88 1 1 . 1 1 24 24 ASN HA H 24 4.554 4.554 4.710 -0.156 18733 89 1 1 . 1 1 24 24 ASN CA C 24 53.550 53.550 53.236 0.314 18733 90 1 1 . 1 1 24 24 ASN CB C 24 38.856 38.856 39.408 -0.552 18733 91 1 1 . 1 1 25 25 THR N N 25 115.612 115.612 120.152 -4.540 18733 92 1 1 . 1 1 25 25 THR HA H 25 4.193 4.193 4.105 0.088 18733 93 1 1 . 1 1 25 25 THR CA C 25 63.026 63.026 64.617 -1.591 18733 94 1 1 . 1 1 25 25 THR CB C 25 69.388 69.388 69.026 0.362 18733 95 1 1 . 1 1 26 26 GLU N N 26 119.600 119.600 118.819 0.781 18733 96 1 1 . 1 1 26 26 GLU HA H 26 4.213 4.213 4.289 -0.076 18733 97 1 1 . 1 1 26 26 GLU CA C 26 56.803 56.803 56.072 0.731 18733 98 1 1 . 1 1 26 26 GLU CB C 26 29.566 29.566 29.255 0.311 18733 99 1 1 . 1 1 27 27 ILE N N 27 118.383 118.383 120.983 -2.600 18733 100 1 1 . 1 1 27 27 ILE HA H 27 4.320 4.320 4.286 0.034 18733 101 1 1 . 1 1 27 27 ILE CA C 27 59.638 59.638 59.113 0.525 18733 102 1 1 . 1 1 27 27 ILE CB C 27 39.531 39.531 38.169 1.362 18733 103 1 1 . 1 1 28 28 GLN N N 28 122.321 122.321 124.395 -2.074 18733 104 1 1 . 1 1 28 28 GLN HA H 28 4.593 4.593 4.425 0.168 18733 105 1 1 . 1 1 28 28 GLN CA C 28 54.684 54.684 55.592 -0.908 18733 106 1 1 . 1 1 28 28 GLN CB C 28 30.183 30.183 29.466 0.717 18733 107 1 1 . 1 1 29 29 THR N N 29 119.517 119.517 118.647 0.870 18733 108 1 1 . 1 1 29 29 THR HA H 29 3.916 3.916 3.974 -0.058 18733 109 1 1 . 1 1 29 29 THR CA C 29 65.895 65.895 66.605 -0.710 18733 110 1 1 . 1 1 29 29 THR CB C 29 68.708 68.708 68.390 0.318 18733 111 1 1 . 1 1 30 30 GLY N N 30 109.285 109.285 107.891 1.394 18733 112 1 1 . 1 1 30 30 GLY CA C 30 47.126 47.126 46.002 1.124 18733 113 1 1 . 1 1 31 31 GLU N N 31 120.940 120.940 121.777 -0.837 18733 114 1 1 . 1 1 31 31 GLU HA H 31 4.259 4.259 4.123 0.136 18733 115 1 1 . 1 1 31 31 GLU CA C 31 59.424 59.424 59.069 0.355 18733 116 1 1 . 1 1 31 31 GLU CB C 31 29.410 29.410 29.990 -0.580 18733 117 1 1 . 1 1 32 32 VAL N N 32 122.718 122.718 119.350 3.368 18733 118 1 1 . 1 1 32 32 VAL HA H 32 3.568 3.568 3.787 -0.219 18733 119 1 1 . 1 1 32 32 VAL CA C 32 66.122 66.122 65.882 0.240 18733 120 1 1 . 1 1 32 32 VAL CB C 32 31.157 31.157 31.701 -0.544 18733 121 1 1 . 1 1 33 33 SER N N 33 114.886 114.886 116.393 -1.507 18733 122 1 1 . 1 1 33 33 SER HA H 33 4.112 4.112 4.158 -0.046 18733 123 1 1 . 1 1 33 33 SER CA C 33 62.119 62.119 61.865 0.253 18733 124 1 1 . 1 1 33 33 SER CB C 33 63.293 63.293 62.651 0.642 18733 125 1 1 . 1 1 34 34 ALA N N 34 121.240 121.240 123.574 -2.334 18733 126 1 1 . 1 1 34 34 ALA HA H 34 4.505 4.505 4.243 0.262 18733 127 1 1 . 1 1 34 34 ALA CA C 34 55.790 55.790 54.792 0.998 18733 128 1 1 . 1 1 34 34 ALA CB C 34 18.845 18.845 18.179 0.666 18733 129 1 1 . 1 1 35 35 SER N N 35 111.131 111.131 116.448 -5.317 18733 130 1 1 . 1 1 35 35 SER HA H 35 3.420 3.420 4.344 -0.924 18733 131 1 1 . 1 1 35 35 SER CA C 35 61.316 61.316 62.445 -1.129 18733 132 1 1 . 1 1 35 35 SER CB C 35 62.547 62.547 63.181 -0.634 18733 133 1 1 . 1 1 36 36 PHE N N 36 127.676 127.676 123.102 4.574 18733 134 1 1 . 1 1 36 36 PHE HA H 36 4.490 4.490 4.222 0.268 18733 135 1 1 . 1 1 36 36 PHE CA C 36 57.592 57.592 61.503 -3.911 18733 136 1 1 . 1 1 36 36 PHE CB C 36 38.111 38.111 39.300 -1.189 18733 137 1 1 . 1 1 37 37 MET N N 37 119.851 119.851 120.239 -0.388 18733 138 1 1 . 1 1 37 37 MET HA H 37 3.859 3.859 4.180 -0.321 18733 139 1 1 . 1 1 37 37 MET CA C 37 59.444 59.444 58.603 0.841 18733 140 1 1 . 1 1 37 37 MET CB C 37 33.517 33.517 32.265 1.252 18733 141 1 1 . 1 1 38 38 TRP N N 38 121.153 121.153 120.725 0.428 18733 142 1 1 . 1 1 38 38 TRP HA H 38 3.981 3.981 4.230 -0.249 18733 143 1 1 . 1 1 38 38 TRP CA C 38 62.129 62.129 60.261 1.868 18733 144 1 1 . 1 1 38 38 TRP CB C 38 29.930 29.930 29.654 0.276 18733 145 1 1 . 1 1 39 39 ALA N N 39 119.518 119.518 122.263 -2.745 18733 146 1 1 . 1 1 39 39 ALA HA H 39 3.880 3.880 3.769 0.111 18733 147 1 1 . 1 1 39 39 ALA CA C 39 55.231 55.231 54.852 0.379 18733 148 1 1 . 1 1 39 39 ALA CB C 39 20.477 20.477 17.767 2.710 18733 149 1 1 . 1 1 40 40 LEU N N 40 116.794 116.794 119.875 -3.081 18733 150 1 1 . 1 1 40 40 LEU HA H 40 2.741 2.741 3.936 -1.195 18733 151 1 1 . 1 1 40 40 LEU CA C 40 56.979 56.979 56.993 -0.014 18733 152 1 1 . 1 1 40 40 LEU CB C 40 40.563 40.563 41.348 -0.785 18733 153 1 1 . 1 1 41 41 ALA N N 41 120.249 120.249 121.493 -1.244 18733 154 1 1 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.915 -0.252 18733 155 1 1 . 1 1 41 41 ALA CA C 41 54.943 54.943 54.819 0.124 18733 156 1 1 . 1 1 41 41 ALA CB C 41 17.512 17.512 18.107 -0.595 18733 157 1 1 . 1 1 42 42 ARG N N 42 118.787 118.787 117.087 1.700 18733 158 1 1 . 1 1 42 42 ARG HA H 42 3.315 3.315 4.002 -0.687 18733 159 1 1 . 1 1 42 42 ARG CA C 42 60.027 60.027 58.297 1.730 18733 160 1 1 . 1 1 42 42 ARG CB C 42 29.084 29.084 30.348 -1.264 18733 161 1 1 . 1 1 43 43 TYR N N 43 122.429 122.429 119.564 2.865 18733 162 1 1 . 1 1 43 43 TYR HA H 43 3.956 3.956 4.088 -0.132 18733 163 1 1 . 1 1 43 43 TYR CA C 43 63.225 63.225 60.923 2.302 18733 164 1 1 . 1 1 43 43 TYR CB C 43 39.819 39.819 38.568 1.251 18733 165 1 1 . 1 1 44 44 ASN N N 44 116.736 116.736 117.294 -0.558 18733 166 1 1 . 1 1 44 44 ASN HA H 44 4.170 4.170 4.721 -0.551 18733 167 1 1 . 1 1 44 44 ASN CA C 44 56.267 56.267 54.372 1.895 18733 168 1 1 . 1 1 44 44 ASN CB C 44 37.894 37.894 38.437 -0.543 18733 169 1 1 . 1 1 45 45 ALA N N 45 124.950 124.950 122.498 2.452 18733 170 1 1 . 1 1 45 45 ALA HA H 45 3.862 3.862 4.246 -0.384 18733 171 1 1 . 1 1 45 45 ALA CA C 45 55.465 55.465 53.931 1.534 18733 172 1 1 . 1 1 45 45 ALA CB C 45 18.587 18.587 17.946 0.641 18733 173 1 1 . 1 1 46 46 TRP N N 46 119.686 119.686 120.652 -0.966 18733 174 1 1 . 1 1 46 46 TRP HA H 46 2.849 2.849 4.189 -1.340 18733 175 1 1 . 1 1 46 46 TRP CA C 46 60.783 60.783 60.465 0.318 18733 176 1 1 . 1 1 46 46 TRP CB C 46 26.470 26.470 28.841 -2.371 18733 177 1 1 . 1 1 47 47 PHE N N 47 121.090 121.090 116.149 4.941 18733 178 1 1 . 1 1 47 47 PHE HA H 47 2.939 2.939 4.316 -1.377 18733 179 1 1 . 1 1 47 47 PHE CA C 47 59.116 59.116 59.091 0.025 18733 180 1 1 . 1 1 47 47 PHE CB C 47 38.212 38.212 38.768 -0.556 18733 181 1 1 . 1 1 48 48 GLY N N 48 109.386 109.386 108.402 0.984 18733 182 1 1 . 1 1 48 48 GLY CA C 48 47.209 47.209 47.006 0.203 18733 183 1 1 . 1 1 49 49 SER N N 49 118.098 118.098 113.976 4.122 18733 184 1 1 . 1 1 49 49 SER CA C 49 62.016 62.016 59.542 2.474 18733 185 1 1 . 1 1 49 49 SER CB C 49 63.411 63.411 63.310 0.101 18733 186 1 1 . 1 1 50 50 THR N N 50 110.801 110.801 113.444 -2.643 18733 187 1 1 . 1 1 50 50 THR HA H 50 3.851 3.851 4.494 -0.643 18733 188 1 1 . 1 1 50 50 THR CA C 50 63.914 63.914 61.201 2.713 18733 189 1 1 . 1 1 50 50 THR CB C 50 69.676 69.676 69.156 0.520 18733 190 1 1 . 1 1 51 51 SER N N 51 115.249 115.249 116.770 -1.521 18733 191 1 1 . 1 1 51 51 SER HA H 51 3.990 3.990 4.397 -0.407 18733 192 1 1 . 1 1 51 51 SER CA C 51 59.360 59.360 60.590 -1.230 18733 193 1 1 . 1 1 51 51 SER CB C 51 63.142 63.142 64.167 -1.025 18733 194 1 1 . 1 1 52 52 PHE N N 52 118.004 118.004 117.433 0.571 18733 195 1 1 . 1 1 52 52 PHE HA H 52 4.861 4.861 4.696 0.165 18733 196 1 1 . 1 1 52 52 PHE CA C 52 57.045 57.045 57.039 0.006 18733 197 1 1 . 1 1 52 52 PHE CB C 52 42.165 42.165 42.102 0.063 18733 198 1 1 . 1 1 53 53 GLU N N 53 119.224 119.224 119.539 -0.315 18733 199 1 1 . 1 1 53 53 GLU HA H 53 4.415 4.415 4.255 0.160 18733 200 1 1 . 1 1 53 53 GLU CA C 53 57.653 57.653 57.399 0.254 18733 201 1 1 . 1 1 53 53 GLU CB C 53 31.679 31.679 29.998 1.681 18733 202 1 1 . 1 1 54 54 THR N N 54 105.230 105.230 110.475 -5.245 18733 203 1 1 . 1 1 54 54 THR HA H 54 4.529 4.529 4.628 -0.099 18733 204 1 1 . 1 1 54 54 THR CA C 54 58.360 58.360 60.077 -1.717 18733 205 1 1 . 1 1 54 54 THR CB C 54 73.366 73.366 71.438 1.929 18733 206 1 1 . 1 1 55 55 LYS N N 55 122.509 122.509 123.493 -0.984 18733 207 1 1 . 1 1 55 55 LYS HA H 55 2.752 2.752 4.044 -1.292 18733 208 1 1 . 1 1 55 55 LYS CA C 55 58.567 58.567 59.158 -0.591 18733 209 1 1 . 1 1 55 55 LYS CB C 55 32.829 32.829 31.509 1.321 18733 210 1 1 . 1 1 56 56 GLU N N 56 117.867 117.867 119.617 -1.750 18733 211 1 1 . 1 1 56 56 GLU HA H 56 3.785 3.785 4.031 -0.246 18733 212 1 1 . 1 1 56 56 GLU CA C 56 60.334 60.334 59.962 0.372 18733 213 1 1 . 1 1 56 56 GLU CB C 56 28.185 28.185 28.910 -0.725 18733 214 1 1 . 1 1 57 57 GLN N N 57 119.487 119.487 117.361 2.126 18733 215 1 1 . 1 1 57 57 GLN HA H 57 3.788 3.788 3.928 -0.140 18733 216 1 1 . 1 1 57 57 GLN CA C 57 58.056 58.056 57.481 0.575 18733 217 1 1 . 1 1 57 57 GLN CB C 57 28.577 28.577 28.683 -0.106 18733 218 1 1 . 1 1 58 58 MET N N 58 118.284 118.284 119.567 -1.283 18733 219 1 1 . 1 1 58 58 MET HA H 58 2.029 2.029 4.281 -2.252 18733 220 1 1 . 1 1 58 58 MET CA C 58 58.862 58.862 58.801 0.061 18733 221 1 1 . 1 1 58 58 MET CB C 58 30.814 30.814 32.971 -2.157 18733 222 1 1 . 1 1 59 59 GLN N N 59 116.663 116.663 119.760 -3.097 18733 223 1 1 . 1 1 59 59 GLN HA H 59 3.578 3.578 4.008 -0.430 18733 224 1 1 . 1 1 59 59 GLN CA C 59 59.361 59.361 58.877 0.484 18733 225 1 1 . 1 1 59 59 GLN CB C 59 28.975 28.975 28.713 0.262 18733 226 1 1 . 1 1 60 60 ALA N N 60 119.084 119.084 120.482 -1.398 18733 227 1 1 . 1 1 60 60 ALA HA H 60 4.028 4.028 4.189 -0.161 18733 228 1 1 . 1 1 60 60 ALA CA C 60 54.245 54.245 54.206 0.039 18733 229 1 1 . 1 1 60 60 ALA CB C 60 18.161 18.161 18.419 -0.258 18733 230 1 1 . 1 1 61 61 LYS N N 61 115.215 115.215 116.381 -1.166 18733 231 1 1 . 1 1 61 61 LYS HA H 61 4.517 4.517 4.568 -0.051 18733 232 1 1 . 1 1 61 61 LYS CA C 61 54.188 54.188 55.219 -1.031 18733 233 1 1 . 1 1 61 61 LYS CB C 61 33.239 33.239 32.231 1.008 18733 234 1 1 . 1 1 62 62 LYS N N 62 122.199 122.199 119.693 2.506 18733 235 1 1 . 1 1 62 62 LYS HA H 62 3.582 3.582 3.954 -0.372 18733 236 1 1 . 1 1 62 62 LYS CA C 62 61.271 61.271 59.930 1.341 18733 237 1 1 . 1 1 62 62 LYS CB C 62 33.052 33.052 31.529 1.524 18733 238 1 1 . 1 1 63 63 GLN N N 63 117.101 117.101 117.801 -0.700 18733 239 1 1 . 1 1 63 63 GLN HA H 63 3.767 3.767 4.135 -0.368 18733 240 1 1 . 1 1 63 63 GLN CA C 63 58.948 58.948 58.262 0.686 18733 241 1 1 . 1 1 63 63 GLN CB C 63 27.823 27.823 27.955 -0.132 18733 242 1 1 . 1 1 64 64 GLU N N 64 119.459 119.459 118.124 1.335 18733 243 1 1 . 1 1 64 64 GLU HA H 64 4.035 4.035 4.161 -0.126 18733 244 1 1 . 1 1 64 64 GLU CA C 64 59.672 59.672 58.740 0.932 18733 245 1 1 . 1 1 64 64 GLU CB C 64 29.755 29.755 29.593 0.162 18733 246 1 1 . 1 1 65 65 MET N N 65 118.493 118.493 115.904 2.589 18733 247 1 1 . 1 1 65 65 MET HA H 65 4.077 4.077 4.275 -0.198 18733 248 1 1 . 1 1 65 65 MET CA C 65 59.488 59.488 58.106 1.382 18733 249 1 1 . 1 1 65 65 MET CB C 65 34.335 34.335 33.149 1.186 18733 250 1 1 . 1 1 66 66 MET N N 66 117.848 117.848 118.520 -0.672 18733 251 1 1 . 1 1 66 66 MET HA H 66 4.127 4.127 4.082 0.045 18733 252 1 1 . 1 1 66 66 MET CA C 66 59.790 59.790 57.790 2.000 18733 253 1 1 . 1 1 66 66 MET CB C 66 31.196 31.196 32.154 -0.958 18733 254 1 1 . 1 1 67 67 ASP N N 67 118.987 118.987 120.542 -1.555 18733 255 1 1 . 1 1 67 67 ASP HA H 67 4.283 4.283 4.348 -0.065 18733 256 1 1 . 1 1 67 67 ASP CA C 67 57.892 57.892 57.088 0.804 18733 257 1 1 . 1 1 67 67 ASP CB C 67 39.885 39.885 40.873 -0.988 18733 258 1 1 . 1 1 68 68 TYR N N 68 119.790 119.790 116.591 3.199 18733 259 1 1 . 1 1 68 68 TYR HA H 68 4.118 4.118 4.538 -0.420 18733 260 1 1 . 1 1 68 68 TYR CA C 68 61.588 61.588 58.226 3.362 18733 261 1 1 . 1 1 68 68 TYR CB C 68 37.806 37.806 38.377 -0.571 18733 262 1 1 . 1 1 69 69 TYR N N 69 118.552 118.552 117.971 0.581 18733 263 1 1 . 1 1 69 69 TYR HA H 69 4.057 4.057 4.528 -0.471 18733 264 1 1 . 1 1 69 69 TYR CA C 69 62.536 62.536 57.991 4.545 18733 265 1 1 . 1 1 69 69 TYR CB C 69 37.582 37.582 38.705 -1.123 18733 266 1 1 . 1 1 70 70 MET N N 70 117.939 117.939 118.041 -0.102 18733 267 1 1 . 1 1 70 70 MET HA H 70 4.489 4.489 4.273 0.216 18733 268 1 1 . 1 1 70 70 MET CA C 70 58.947 58.947 58.517 0.430 18733 269 1 1 . 1 1 70 70 MET CB C 70 31.380 31.380 32.644 -1.264 18733 270 1 1 . 1 1 71 71 ASP N N 71 120.118 120.118 118.156 1.962 18733 271 1 1 . 1 1 71 71 ASP HA H 71 4.390 4.390 4.542 -0.152 18733 272 1 1 . 1 1 71 71 ASP CA C 71 57.730 57.730 56.652 1.078 18733 273 1 1 . 1 1 71 71 ASP CB C 71 40.050 40.050 40.993 -0.943 18733 274 1 1 . 1 1 72 72 ARG N N 72 118.091 118.091 118.060 0.031 18733 275 1 1 . 1 1 72 72 ARG HA H 72 4.107 4.107 4.552 -0.445 18733 276 1 1 . 1 1 72 72 ARG CA C 72 58.260 58.260 56.328 1.932 18733 277 1 1 . 1 1 72 72 ARG CB C 72 31.091 31.091 30.030 1.061 18733 278 1 1 . 1 1 73 73 TYR N N 73 121.878 121.878 115.945 5.933 18733 279 1 1 . 1 1 73 73 TYR HA H 73 4.178 4.178 5.043 -0.866 18733 280 1 1 . 1 1 73 73 TYR CA C 73 61.440 61.440 55.223 6.217 18733 281 1 1 . 1 1 73 73 TYR CB C 73 38.677 38.677 38.309 0.367 18733 282 1 1 . 1 1 74 74 LYS N N 74 119.791 119.791 122.160 -2.369 18733 283 1 1 . 1 1 74 74 LYS HA H 74 3.564 3.564 3.790 -0.226 18733 284 1 1 . 1 1 74 74 LYS CA C 74 60.621 60.621 59.618 1.003 18733 285 1 1 . 1 1 74 74 LYS CB C 74 32.225 32.225 32.346 -0.122 18733 286 1 1 . 1 1 75 75 GLU N N 75 116.140 116.140 119.528 -3.388 18733 287 1 1 . 1 1 75 75 GLU HA H 75 4.004 4.004 4.105 -0.101 18733 288 1 1 . 1 1 75 75 GLU CA C 75 59.293 59.293 58.867 0.426 18733 289 1 1 . 1 1 75 75 GLU CB C 75 29.627 29.627 28.099 1.528 18733 290 1 1 . 1 1 76 76 MET N N 76 119.200 119.200 118.055 1.145 18733 291 1 1 . 1 1 76 76 MET HA H 76 4.250 4.250 4.380 -0.130 18733 292 1 1 . 1 1 76 76 MET CA C 76 60.058 60.058 58.017 2.042 18733 293 1 1 . 1 1 76 76 MET CB C 76 32.751 32.751 32.357 0.394 18733 294 1 1 . 1 1 77 77 LEU N N 77 125.191 125.191 120.454 4.737 18733 295 1 1 . 1 1 77 77 LEU HA H 77 3.703 3.703 4.030 -0.327 18733 296 1 1 . 1 1 77 77 LEU CA C 77 58.589 58.589 57.602 0.987 18733 297 1 1 . 1 1 77 77 LEU CB C 77 41.650 41.650 42.037 -0.387 18733 298 1 1 . 1 1 78 78 ASP N N 78 119.843 119.843 119.605 0.238 18733 299 1 1 . 1 1 78 78 ASP HA H 78 4.177 4.177 4.267 -0.090 18733 300 1 1 . 1 1 78 78 ASP CA C 78 58.584 58.584 56.942 1.642 18733 301 1 1 . 1 1 78 78 ASP CB C 78 42.352 42.352 40.769 1.583 18733 302 1 1 . 1 1 79 79 ALA N N 79 117.168 117.168 119.374 -2.206 18733 303 1 1 . 1 1 79 79 ALA HA H 79 4.077 4.077 4.223 -0.146 18733 304 1 1 . 1 1 79 79 ALA CA C 79 55.317 55.317 54.223 1.094 18733 305 1 1 . 1 1 79 79 ALA CB C 79 18.335 18.335 18.414 -0.079 18733 306 1 1 . 1 1 80 80 ASN N N 80 115.882 115.882 114.482 1.400 18733 307 1 1 . 1 1 80 80 ASN HA H 80 4.416 4.416 4.932 -0.516 18733 308 1 1 . 1 1 80 80 ASN CA C 80 57.791 57.791 53.880 3.910 18733 309 1 1 . 1 1 80 80 ASN CB C 80 40.251 40.251 39.553 0.698 18733 310 1 1 . 1 1 81 81 MET N N 81 120.945 120.945 119.925 1.020 18733 311 1 1 . 1 1 81 81 MET HA H 81 4.129 4.129 4.439 -0.310 18733 312 1 1 . 1 1 81 81 MET CA C 81 58.954 58.954 57.874 1.080 18733 313 1 1 . 1 1 81 81 MET CB C 81 31.937 31.937 32.337 -0.400 18733 314 1 1 . 1 1 82 82 GLU N N 82 116.578 116.578 118.621 -2.043 18733 315 1 1 . 1 1 82 82 GLU HA H 82 3.979 3.979 4.040 -0.061 18733 316 1 1 . 1 1 82 82 GLU CA C 82 59.214 59.214 59.533 -0.319 18733 317 1 1 . 1 1 82 82 GLU CB C 82 29.207 29.207 28.662 0.545 18733 318 1 1 . 1 1 83 83 ASP N N 83 119.199 119.199 118.148 1.051 18733 319 1 1 . 1 1 83 83 ASP HA H 83 4.399 4.399 4.305 0.094 18733 320 1 1 . 1 1 83 83 ASP CA C 83 57.554 57.554 56.874 0.680 18733 321 1 1 . 1 1 83 83 ASP CB C 83 42.088 42.088 40.500 1.588 18733 322 1 1 . 1 1 84 84 TYR N N 84 117.904 117.904 116.167 1.737 18733 323 1 1 . 1 1 84 84 TYR HA H 84 3.931 3.931 4.703 -0.772 18733 324 1 1 . 1 1 84 84 TYR CA C 84 63.663 63.663 60.196 3.467 18733 325 1 1 . 1 1 84 84 TYR CB C 84 39.134 39.134 39.666 -0.532 18733 326 1 1 . 1 1 85 85 ILE N N 85 116.362 116.362 119.012 -2.650 18733 327 1 1 . 1 1 85 85 ILE HA H 85 3.752 3.752 3.820 -0.068 18733 328 1 1 . 1 1 85 85 ILE CA C 85 66.287 66.287 64.810 1.477 18733 329 1 1 . 1 1 85 85 ILE CB C 85 38.815 38.815 38.258 0.556 18733 330 1 1 . 1 1 86 86 GLU N N 86 117.696 117.696 118.276 -0.580 18733 331 1 1 . 1 1 86 86 GLU HA H 86 3.896 3.896 4.212 -0.316 18733 332 1 1 . 1 1 86 86 GLU CA C 86 59.290 59.290 58.478 0.812 18733 333 1 1 . 1 1 86 86 GLU CB C 86 29.660 29.660 28.914 0.746 18733 334 1 1 . 1 1 87 87 ASN N N 87 113.943 113.943 115.753 -1.810 18733 335 1 1 . 1 1 87 87 ASN HA H 87 4.933 4.933 4.867 0.066 18733 336 1 1 . 1 1 87 87 ASN CA C 87 52.462 52.462 53.772 -1.310 18733 337 1 1 . 1 1 87 87 ASN CB C 87 38.847 38.847 39.661 -0.814 18733 338 1 1 . 1 1 88 88 PHE N N 88 123.733 123.733 122.957 0.776 18733 339 1 1 . 1 1 88 88 PHE HA H 88 4.141 4.141 4.290 -0.149 18733 340 1 1 . 1 1 88 88 PHE CA C 88 63.888 63.888 62.459 1.429 18733 341 1 1 . 1 1 88 88 PHE CB C 88 41.768 41.768 39.033 2.735 18733 342 1 1 . 1 1 89 89 ASP N N 89 117.257 117.257 117.938 -0.681 18733 343 1 1 . 1 1 89 89 ASP HA H 89 4.386 4.386 3.830 0.556 18733 344 1 1 . 1 1 89 89 ASP CA C 89 57.468 57.468 57.625 -0.157 18733 345 1 1 . 1 1 89 89 ASP CB C 89 39.886 39.886 40.563 -0.677 18733 346 1 1 . 1 1 90 90 HIS N N 90 121.385 121.385 118.438 2.947 18733 347 1 1 . 1 1 90 90 HIS HA H 90 4.294 4.294 4.139 0.155 18733 348 1 1 . 1 1 90 90 HIS CA C 90 59.081 59.081 59.349 -0.268 18733 349 1 1 . 1 1 90 90 HIS CB C 90 29.949 29.949 29.821 0.128 18733 350 1 1 . 1 1 91 91 TYR N N 91 118.440 118.440 118.267 0.173 18733 351 1 1 . 1 1 91 91 TYR HA H 91 4.192 4.192 4.482 -0.290 18733 352 1 1 . 1 1 91 91 TYR CA C 91 59.618 59.618 60.792 -1.174 18733 353 1 1 . 1 1 91 91 TYR CB C 91 36.860 36.860 38.084 -1.224 18733 354 1 1 . 1 1 92 92 ARG N N 92 119.028 119.028 120.329 -1.301 18733 355 1 1 . 1 1 92 92 ARG HA H 92 4.023 4.023 4.272 -0.249 18733 356 1 1 . 1 1 92 92 ARG CA C 92 57.308 57.308 58.114 -0.806 18733 357 1 1 . 1 1 92 92 ARG CB C 92 29.129 29.129 29.552 -0.423 18733 358 1 1 . 1 1 93 93 ALA N N 93 120.513 120.513 118.043 2.470 18733 359 1 1 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.260 -0.049 18733 360 1 1 . 1 1 93 93 ALA CA C 93 53.603 53.603 53.217 0.386 18733 361 1 1 . 1 1 93 93 ALA CB C 93 18.864 18.864 19.303 -0.439 18733 362 1 1 . 1 1 94 94 THR N N 94 108.668 108.668 108.420 0.248 18733 363 1 1 . 1 1 94 94 THR HA H 94 4.249 4.249 4.322 -0.073 18733 364 1 1 . 1 1 94 94 THR CA C 94 62.170 62.170 61.902 0.268 18733 365 1 1 . 1 1 94 94 THR CB C 94 70.164 70.164 69.474 0.690 18733 366 1 1 . 1 1 95 95 GLN N N 95 122.873 122.873 120.563 2.310 18733 367 1 1 . 1 1 95 95 GLN HA H 95 4.288 4.288 4.531 -0.243 18733 368 1 1 . 1 1 95 95 GLN CA C 95 56.073 56.073 55.197 0.876 18733 369 1 1 . 1 1 95 95 GLN CB C 95 28.903 28.903 28.679 0.224 18733 370 1 2 . 1 1 2 2 ASN HA H 2 4.590 4.590 4.727 -0.137 18733 371 1 2 . 1 1 2 2 ASN CA C 2 53.554 53.554 53.883 -0.329 18733 372 1 2 . 1 1 2 2 ASN CB C 2 38.650 38.650 38.948 -0.298 18733 373 1 2 . 1 1 3 3 ASN HA H 3 4.526 4.526 5.015 -0.489 18733 374 1 2 . 1 1 3 3 ASN CA C 3 53.720 53.720 52.870 0.850 18733 375 1 2 . 1 1 3 3 ASN CB C 3 38.473 38.473 39.834 -1.361 18733 376 1 2 . 1 1 4 4 GLU N N 4 121.638 121.638 126.282 -4.644 18733 377 1 2 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.144 -0.058 18733 378 1 2 . 1 1 4 4 GLU CA C 4 57.656 57.656 59.291 -1.635 18733 379 1 2 . 1 1 4 4 GLU CB C 4 29.649 29.649 30.223 -0.574 18733 380 1 2 . 1 1 5 5 ASN N N 5 118.543 118.543 114.835 3.708 18733 381 1 2 . 1 1 5 5 ASN HA H 5 4.531 4.531 4.678 -0.147 18733 382 1 2 . 1 1 5 5 ASN CA C 5 55.114 55.114 53.124 1.990 18733 383 1 2 . 1 1 5 5 ASN CB C 5 38.417 38.417 40.426 -2.009 18733 384 1 2 . 1 1 6 6 ALA N N 6 123.531 123.531 122.365 1.166 18733 385 1 2 . 1 1 6 6 ALA HA H 6 4.057 4.057 4.114 -0.057 18733 386 1 2 . 1 1 6 6 ALA CA C 6 55.266 55.266 50.353 4.913 18733 387 1 2 . 1 1 6 6 ALA CB C 6 18.099 18.099 19.290 -1.190 18733 388 1 2 . 1 1 7 7 PHE N N 7 119.588 119.588 119.077 0.511 18733 389 1 2 . 1 1 7 7 PHE HA H 7 3.777 3.777 4.720 -0.943 18733 390 1 2 . 1 1 7 7 PHE CA C 7 61.179 61.179 53.918 7.261 18733 391 1 2 . 1 1 7 7 PHE CB C 7 38.947 38.947 35.762 3.185 18733 392 1 2 . 1 1 8 8 TYR N N 8 116.300 116.300 123.106 -6.806 18733 393 1 2 . 1 1 8 8 TYR HA H 8 4.007 4.007 4.041 -0.034 18733 394 1 2 . 1 1 8 8 TYR CA C 8 61.117 61.117 62.858 -1.741 18733 395 1 2 . 1 1 8 8 TYR CB C 8 37.370 37.370 36.941 0.429 18733 396 1 2 . 1 1 9 9 ALA N N 9 124.516 124.516 118.661 5.855 18733 397 1 2 . 1 1 9 9 ALA HA H 9 4.074 4.074 4.024 0.050 18733 398 1 2 . 1 1 9 9 ALA CA C 9 55.415 55.415 54.759 0.656 18733 399 1 2 . 1 1 9 9 ALA CB C 9 17.797 17.797 18.334 -0.537 18733 400 1 2 . 1 1 10 10 ARG N N 10 118.255 118.255 118.698 -0.443 18733 401 1 2 . 1 1 10 10 ARG HA H 10 3.857 3.857 4.089 -0.232 18733 402 1 2 . 1 1 10 10 ARG CA C 10 60.070 60.070 58.252 1.818 18733 403 1 2 . 1 1 10 10 ARG CB C 10 31.179 31.179 29.793 1.386 18733 404 1 2 . 1 1 11 11 ALA N N 11 119.258 119.258 121.035 -1.777 18733 405 1 2 . 1 1 11 11 ALA HA H 11 4.079 4.079 4.270 -0.191 18733 406 1 2 . 1 1 11 11 ALA CA C 11 55.152 55.152 54.370 0.782 18733 407 1 2 . 1 1 11 11 ALA CB C 11 19.072 19.072 17.977 1.095 18733 408 1 2 . 1 1 12 12 THR N N 12 114.669 114.669 115.140 -0.471 18733 409 1 2 . 1 1 12 12 THR HA H 12 3.761 3.761 4.035 -0.274 18733 410 1 2 . 1 1 12 12 THR CA C 12 67.028 67.028 66.828 0.200 18733 411 1 2 . 1 1 12 12 THR CB C 12 68.661 68.661 68.803 -0.142 18733 412 1 2 . 1 1 13 13 GLU N N 13 120.838 120.838 121.069 -0.231 18733 413 1 2 . 1 1 13 13 GLU HA H 13 3.782 3.782 4.252 -0.470 18733 414 1 2 . 1 1 13 13 GLU CA C 13 59.781 59.781 58.595 1.186 18733 415 1 2 . 1 1 13 13 GLU CB C 13 29.713 29.713 29.261 0.452 18733 416 1 2 . 1 1 14 14 LEU N N 14 119.831 119.831 121.120 -1.289 18733 417 1 2 . 1 1 14 14 LEU HA H 14 3.616 3.616 4.185 -0.569 18733 418 1 2 . 1 1 14 14 LEU CA C 14 58.363 58.363 57.901 0.462 18733 419 1 2 . 1 1 14 14 LEU CB C 14 42.109 42.109 41.395 0.714 18733 420 1 2 . 1 1 15 15 ILE N N 15 119.150 119.150 117.916 1.234 18733 421 1 2 . 1 1 15 15 ILE HA H 15 3.376 3.376 3.483 -0.107 18733 422 1 2 . 1 1 15 15 ILE CA C 15 66.274 66.274 64.824 1.450 18733 423 1 2 . 1 1 15 15 ILE CB C 15 38.343 38.343 37.393 0.950 18733 424 1 2 . 1 1 16 16 LYS N N 16 118.734 118.734 120.059 -1.325 18733 425 1 2 . 1 1 16 16 LYS HA H 16 3.808 3.808 4.007 -0.199 18733 426 1 2 . 1 1 16 16 LYS CA C 16 59.950 59.950 58.925 1.025 18733 427 1 2 . 1 1 16 16 LYS CB C 16 32.109 32.109 31.852 0.257 18733 428 1 2 . 1 1 17 17 LEU N N 17 121.376 121.376 119.449 1.927 18733 429 1 2 . 1 1 17 17 LEU HA H 17 4.017 4.017 4.107 -0.090 18733 430 1 2 . 1 1 17 17 LEU CA C 17 57.733 57.733 57.858 -0.125 18733 431 1 2 . 1 1 17 17 LEU CB C 17 40.385 40.385 41.089 -0.704 18733 432 1 2 . 1 1 18 18 ALA N N 18 123.298 123.298 119.979 3.319 18733 433 1 2 . 1 1 18 18 ALA HA H 18 3.547 3.547 4.051 -0.504 18733 434 1 2 . 1 1 18 18 ALA CA C 18 55.031 55.031 54.934 0.097 18733 435 1 2 . 1 1 18 18 ALA CB C 18 17.716 17.716 18.370 -0.654 18733 436 1 2 . 1 1 19 19 ASN N N 19 114.581 114.581 115.799 -1.218 18733 437 1 2 . 1 1 19 19 ASN HA H 19 4.504 4.504 4.501 0.003 18733 438 1 2 . 1 1 19 19 ASN CA C 19 55.633 55.633 55.706 -0.073 18733 439 1 2 . 1 1 19 19 ASN CB C 19 37.683 37.683 38.463 -0.780 18733 440 1 2 . 1 1 20 20 GLN N N 20 122.054 122.054 117.929 4.125 18733 441 1 2 . 1 1 20 20 GLN HA H 20 3.959 3.959 4.425 -0.466 18733 442 1 2 . 1 1 20 20 GLN CA C 20 58.913 58.913 57.854 1.059 18733 443 1 2 . 1 1 20 20 GLN CB C 20 28.293 28.293 28.872 -0.579 18733 444 1 2 . 1 1 21 21 GLN N N 21 120.962 120.962 116.690 4.272 18733 445 1 2 . 1 1 21 21 GLN HA H 21 3.863 3.863 4.317 -0.454 18733 446 1 2 . 1 1 21 21 GLN CA C 21 58.371 58.371 57.781 0.590 18733 447 1 2 . 1 1 21 21 GLN CB C 21 27.603 27.603 28.970 -1.367 18733 448 1 2 . 1 1 22 22 ASN N N 22 114.486 114.486 118.196 -3.710 18733 449 1 2 . 1 1 22 22 ASN HA H 22 4.550 4.550 4.595 -0.045 18733 450 1 2 . 1 1 22 22 ASN CA C 22 53.545 53.545 53.728 -0.184 18733 451 1 2 . 1 1 22 22 ASN CB C 22 39.752 39.752 38.590 1.162 18733 452 1 2 . 1 1 23 23 GLN N N 23 117.002 117.002 116.218 0.784 18733 453 1 2 . 1 1 23 23 GLN HA H 23 4.121 4.121 4.234 -0.113 18733 454 1 2 . 1 1 23 23 GLN CA C 23 56.336 56.336 56.069 0.267 18733 455 1 2 . 1 1 23 23 GLN CB C 23 28.367 28.367 28.712 -0.345 18733 456 1 2 . 1 1 24 24 ASN N N 24 117.868 117.868 119.484 -1.616 18733 457 1 2 . 1 1 24 24 ASN HA H 24 4.554 4.554 4.643 -0.089 18733 458 1 2 . 1 1 24 24 ASN CA C 24 53.550 53.550 53.405 0.145 18733 459 1 2 . 1 1 24 24 ASN CB C 24 38.856 38.856 38.805 0.051 18733 460 1 2 . 1 1 25 25 THR N N 25 115.612 115.612 121.348 -5.736 18733 461 1 2 . 1 1 25 25 THR HA H 25 4.193 4.193 3.983 0.210 18733 462 1 2 . 1 1 25 25 THR CA C 25 63.026 63.026 65.382 -2.356 18733 463 1 2 . 1 1 25 25 THR CB C 25 69.388 69.388 68.923 0.465 18733 464 1 2 . 1 1 26 26 GLU N N 26 119.600 119.600 118.235 1.365 18733 465 1 2 . 1 1 26 26 GLU HA H 26 4.213 4.213 4.223 -0.010 18733 466 1 2 . 1 1 26 26 GLU CA C 26 56.803 56.803 56.852 -0.049 18733 467 1 2 . 1 1 26 26 GLU CB C 26 29.566 29.566 29.570 -0.004 18733 468 1 2 . 1 1 27 27 ILE N N 27 118.383 118.383 121.968 -3.585 18733 469 1 2 . 1 1 27 27 ILE HA H 27 4.320 4.320 4.064 0.256 18733 470 1 2 . 1 1 27 27 ILE CA C 27 59.638 59.638 61.146 -1.508 18733 471 1 2 . 1 1 27 27 ILE CB C 27 39.531 39.531 38.618 0.913 18733 472 1 2 . 1 1 28 28 GLN N N 28 122.321 122.321 123.996 -1.675 18733 473 1 2 . 1 1 28 28 GLN HA H 28 4.593 4.593 4.442 0.151 18733 474 1 2 . 1 1 28 28 GLN CA C 28 54.684 54.684 55.542 -0.858 18733 475 1 2 . 1 1 28 28 GLN CB C 28 30.183 30.183 29.624 0.559 18733 476 1 2 . 1 1 29 29 THR N N 29 119.517 119.517 117.013 2.504 18733 477 1 2 . 1 1 29 29 THR HA H 29 3.916 3.916 4.027 -0.111 18733 478 1 2 . 1 1 29 29 THR CA C 29 65.895 65.895 66.420 -0.525 18733 479 1 2 . 1 1 29 29 THR CB C 29 68.708 68.708 68.554 0.154 18733 480 1 2 . 1 1 30 30 GLY N N 30 109.285 109.285 106.413 2.872 18733 481 1 2 . 1 1 30 30 GLY CA C 30 47.126 47.126 45.249 1.877 18733 482 1 2 . 1 1 31 31 GLU N N 31 120.940 120.940 119.854 1.086 18733 483 1 2 . 1 1 31 31 GLU HA H 31 4.259 4.259 4.364 -0.105 18733 484 1 2 . 1 1 31 31 GLU CA C 31 59.424 59.424 56.729 2.695 18733 485 1 2 . 1 1 31 31 GLU CB C 31 29.410 29.410 29.922 -0.512 18733 486 1 2 . 1 1 32 32 VAL N N 32 122.718 122.718 119.236 3.482 18733 487 1 2 . 1 1 32 32 VAL HA H 32 3.568 3.568 3.930 -0.362 18733 488 1 2 . 1 1 32 32 VAL CA C 32 66.122 66.122 64.758 1.363 18733 489 1 2 . 1 1 32 32 VAL CB C 32 31.157 31.157 31.835 -0.678 18733 490 1 2 . 1 1 33 33 SER N N 33 114.886 114.886 116.873 -1.987 18733 491 1 2 . 1 1 33 33 SER HA H 33 4.112 4.112 4.207 -0.095 18733 492 1 2 . 1 1 33 33 SER CA C 33 62.119 62.119 61.558 0.561 18733 493 1 2 . 1 1 33 33 SER CB C 33 63.293 63.293 62.745 0.548 18733 494 1 2 . 1 1 34 34 ALA N N 34 121.240 121.240 123.497 -2.257 18733 495 1 2 . 1 1 34 34 ALA HA H 34 4.505 4.505 4.287 0.218 18733 496 1 2 . 1 1 34 34 ALA CA C 34 55.790 55.790 54.788 1.002 18733 497 1 2 . 1 1 34 34 ALA CB C 34 18.845 18.845 18.164 0.681 18733 498 1 2 . 1 1 35 35 SER N N 35 111.131 111.131 116.266 -5.135 18733 499 1 2 . 1 1 35 35 SER HA H 35 3.420 3.420 4.306 -0.886 18733 500 1 2 . 1 1 35 35 SER CA C 35 61.316 61.316 61.973 -0.657 18733 501 1 2 . 1 1 35 35 SER CB C 35 62.547 62.547 63.220 -0.673 18733 502 1 2 . 1 1 36 36 PHE N N 36 127.676 127.676 123.124 4.552 18733 503 1 2 . 1 1 36 36 PHE HA H 36 4.490 4.490 4.243 0.247 18733 504 1 2 . 1 1 36 36 PHE CA C 36 57.592 57.592 61.413 -3.821 18733 505 1 2 . 1 1 36 36 PHE CB C 36 38.111 38.111 39.521 -1.410 18733 506 1 2 . 1 1 37 37 MET N N 37 119.851 119.851 120.272 -0.421 18733 507 1 2 . 1 1 37 37 MET HA H 37 3.859 3.859 4.138 -0.279 18733 508 1 2 . 1 1 37 37 MET CA C 37 59.444 59.444 59.483 -0.039 18733 509 1 2 . 1 1 37 37 MET CB C 37 33.517 33.517 32.814 0.703 18733 510 1 2 . 1 1 38 38 TRP N N 38 121.153 121.153 121.090 0.063 18733 511 1 2 . 1 1 38 38 TRP HA H 38 3.981 3.981 4.202 -0.221 18733 512 1 2 . 1 1 38 38 TRP CA C 38 62.129 62.129 60.739 1.390 18733 513 1 2 . 1 1 38 38 TRP CB C 38 29.930 29.930 29.732 0.198 18733 514 1 2 . 1 1 39 39 ALA N N 39 119.518 119.518 121.946 -2.428 18733 515 1 2 . 1 1 39 39 ALA HA H 39 3.880 3.880 3.952 -0.072 18733 516 1 2 . 1 1 39 39 ALA CA C 39 55.231 55.231 54.837 0.394 18733 517 1 2 . 1 1 39 39 ALA CB C 39 20.477 20.477 17.900 2.577 18733 518 1 2 . 1 1 40 40 LEU N N 40 116.794 116.794 119.671 -2.877 18733 519 1 2 . 1 1 40 40 LEU HA H 40 2.741 2.741 3.872 -1.131 18733 520 1 2 . 1 1 40 40 LEU CA C 40 56.979 56.979 56.914 0.065 18733 521 1 2 . 1 1 40 40 LEU CB C 40 40.563 40.563 41.296 -0.733 18733 522 1 2 . 1 1 41 41 ALA N N 41 120.249 120.249 122.048 -1.799 18733 523 1 2 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.837 -0.174 18733 524 1 2 . 1 1 41 41 ALA CA C 41 54.943 54.943 55.112 -0.169 18733 525 1 2 . 1 1 41 41 ALA CB C 41 17.512 17.512 17.984 -0.472 18733 526 1 2 . 1 1 42 42 ARG N N 42 118.787 118.787 116.577 2.210 18733 527 1 2 . 1 1 42 42 ARG HA H 42 3.315 3.315 3.850 -0.535 18733 528 1 2 . 1 1 42 42 ARG CA C 42 60.027 60.027 58.471 1.556 18733 529 1 2 . 1 1 42 42 ARG CB C 42 29.084 29.084 30.147 -1.063 18733 530 1 2 . 1 1 43 43 TYR N N 43 122.429 122.429 117.962 4.467 18733 531 1 2 . 1 1 43 43 TYR HA H 43 3.956 3.956 4.240 -0.284 18733 532 1 2 . 1 1 43 43 TYR CA C 43 63.225 63.225 60.598 2.627 18733 533 1 2 . 1 1 43 43 TYR CB C 43 39.819 39.819 39.077 0.742 18733 534 1 2 . 1 1 44 44 ASN N N 44 116.736 116.736 117.949 -1.213 18733 535 1 2 . 1 1 44 44 ASN HA H 44 4.170 4.170 4.559 -0.389 18733 536 1 2 . 1 1 44 44 ASN CA C 44 56.267 56.267 54.869 1.398 18733 537 1 2 . 1 1 44 44 ASN CB C 44 37.894 37.894 38.204 -0.310 18733 538 1 2 . 1 1 45 45 ALA N N 45 124.950 124.950 120.660 4.290 18733 539 1 2 . 1 1 45 45 ALA HA H 45 3.862 3.862 4.467 -0.605 18733 540 1 2 . 1 1 45 45 ALA CA C 45 55.465 55.465 51.615 3.850 18733 541 1 2 . 1 1 45 45 ALA CB C 45 18.587 18.587 17.955 0.632 18733 542 1 2 . 1 1 46 46 TRP N N 46 119.686 119.686 120.009 -0.323 18733 543 1 2 . 1 1 46 46 TRP HA H 46 2.849 2.849 4.214 -1.365 18733 544 1 2 . 1 1 46 46 TRP CA C 46 60.783 60.783 58.952 1.831 18733 545 1 2 . 1 1 46 46 TRP CB C 46 26.470 26.470 29.235 -2.765 18733 546 1 2 . 1 1 47 47 PHE N N 47 121.090 121.090 116.586 4.504 18733 547 1 2 . 1 1 47 47 PHE HA H 47 2.939 2.939 4.372 -1.433 18733 548 1 2 . 1 1 47 47 PHE CA C 47 59.116 59.116 59.240 -0.124 18733 549 1 2 . 1 1 47 47 PHE CB C 47 38.212 38.212 39.330 -1.118 18733 550 1 2 . 1 1 48 48 GLY N N 48 109.386 109.386 107.538 1.848 18733 551 1 2 . 1 1 48 48 GLY CA C 48 47.209 47.209 46.812 0.397 18733 552 1 2 . 1 1 49 49 SER N N 49 118.098 118.098 117.793 0.305 18733 553 1 2 . 1 1 49 49 SER CA C 49 62.016 62.016 59.600 2.416 18733 554 1 2 . 1 1 49 49 SER CB C 49 63.411 63.411 63.507 -0.096 18733 555 1 2 . 1 1 50 50 THR N N 50 110.801 110.801 113.201 -2.400 18733 556 1 2 . 1 1 50 50 THR HA H 50 3.851 3.851 4.197 -0.345 18733 557 1 2 . 1 1 50 50 THR CA C 50 63.914 63.914 64.333 -0.419 18733 558 1 2 . 1 1 50 50 THR CB C 50 69.676 69.676 68.616 1.060 18733 559 1 2 . 1 1 51 51 SER N N 51 115.249 115.249 117.495 -2.246 18733 560 1 2 . 1 1 51 51 SER HA H 51 3.990 3.990 4.189 -0.199 18733 561 1 2 . 1 1 51 51 SER CA C 51 59.360 59.360 60.932 -1.572 18733 562 1 2 . 1 1 51 51 SER CB C 51 63.142 63.142 64.094 -0.952 18733 563 1 2 . 1 1 52 52 PHE N N 52 118.004 118.004 116.214 1.790 18733 564 1 2 . 1 1 52 52 PHE HA H 52 4.861 4.861 4.698 0.163 18733 565 1 2 . 1 1 52 52 PHE CA C 52 57.045 57.045 57.097 -0.053 18733 566 1 2 . 1 1 52 52 PHE CB C 52 42.165 42.165 42.393 -0.228 18733 567 1 2 . 1 1 53 53 GLU N N 53 119.224 119.224 119.104 0.120 18733 568 1 2 . 1 1 53 53 GLU HA H 53 4.415 4.415 4.304 0.111 18733 569 1 2 . 1 1 53 53 GLU CA C 53 57.653 57.653 57.509 0.144 18733 570 1 2 . 1 1 53 53 GLU CB C 53 31.679 31.679 30.011 1.668 18733 571 1 2 . 1 1 54 54 THR N N 54 105.230 105.230 111.123 -5.893 18733 572 1 2 . 1 1 54 54 THR HA H 54 4.529 4.529 4.572 -0.043 18733 573 1 2 . 1 1 54 54 THR CA C 54 58.360 58.360 60.339 -1.979 18733 574 1 2 . 1 1 54 54 THR CB C 54 73.366 73.366 71.043 2.323 18733 575 1 2 . 1 1 55 55 LYS N N 55 122.509 122.509 123.878 -1.369 18733 576 1 2 . 1 1 55 55 LYS HA H 55 2.752 2.752 3.987 -1.235 18733 577 1 2 . 1 1 55 55 LYS CA C 55 58.567 58.567 59.333 -0.766 18733 578 1 2 . 1 1 55 55 LYS CB C 55 32.829 32.829 31.372 1.457 18733 579 1 2 . 1 1 56 56 GLU N N 56 117.867 117.867 118.752 -0.885 18733 580 1 2 . 1 1 56 56 GLU HA H 56 3.785 3.785 4.055 -0.270 18733 581 1 2 . 1 1 56 56 GLU CA C 56 60.334 60.334 59.410 0.924 18733 582 1 2 . 1 1 56 56 GLU CB C 56 28.185 28.185 28.795 -0.610 18733 583 1 2 . 1 1 57 57 GLN N N 57 119.487 119.487 116.522 2.965 18733 584 1 2 . 1 1 57 57 GLN HA H 57 3.788 3.788 3.962 -0.174 18733 585 1 2 . 1 1 57 57 GLN CA C 57 58.056 58.056 56.755 1.301 18733 586 1 2 . 1 1 57 57 GLN CB C 57 28.577 28.577 28.782 -0.205 18733 587 1 2 . 1 1 58 58 MET N N 58 118.284 118.284 119.852 -1.568 18733 588 1 2 . 1 1 58 58 MET HA H 58 2.029 2.029 4.288 -2.259 18733 589 1 2 . 1 1 58 58 MET CA C 58 58.862 58.862 59.127 -0.265 18733 590 1 2 . 1 1 58 58 MET CB C 58 30.814 30.814 33.106 -2.292 18733 591 1 2 . 1 1 59 59 GLN N N 59 116.663 116.663 119.322 -2.659 18733 592 1 2 . 1 1 59 59 GLN HA H 59 3.578 3.578 4.101 -0.523 18733 593 1 2 . 1 1 59 59 GLN CA C 59 59.361 59.361 58.900 0.461 18733 594 1 2 . 1 1 59 59 GLN CB C 59 28.975 28.975 28.557 0.418 18733 595 1 2 . 1 1 60 60 ALA N N 60 119.084 119.084 120.759 -1.675 18733 596 1 2 . 1 1 60 60 ALA HA H 60 4.028 4.028 4.227 -0.199 18733 597 1 2 . 1 1 60 60 ALA CA C 60 54.245 54.245 53.989 0.257 18733 598 1 2 . 1 1 60 60 ALA CB C 60 18.161 18.161 18.286 -0.125 18733 599 1 2 . 1 1 61 61 LYS N N 61 115.215 115.215 116.281 -1.066 18733 600 1 2 . 1 1 61 61 LYS HA H 61 4.517 4.517 4.663 -0.146 18733 601 1 2 . 1 1 61 61 LYS CA C 61 54.188 54.188 55.362 -1.174 18733 602 1 2 . 1 1 61 61 LYS CB C 61 33.239 33.239 32.927 0.312 18733 603 1 2 . 1 1 62 62 LYS N N 62 122.199 122.199 122.350 -0.151 18733 604 1 2 . 1 1 62 62 LYS HA H 62 3.582 3.582 3.958 -0.376 18733 605 1 2 . 1 1 62 62 LYS CA C 62 61.271 61.271 60.463 0.808 18733 606 1 2 . 1 1 62 62 LYS CB C 62 33.052 33.052 32.099 0.953 18733 607 1 2 . 1 1 63 63 GLN N N 63 117.101 117.101 117.649 -0.548 18733 608 1 2 . 1 1 63 63 GLN HA H 63 3.767 3.767 4.020 -0.253 18733 609 1 2 . 1 1 63 63 GLN CA C 63 58.948 58.948 58.733 0.214 18733 610 1 2 . 1 1 63 63 GLN CB C 63 27.823 27.823 27.864 -0.041 18733 611 1 2 . 1 1 64 64 GLU N N 64 119.459 119.459 120.804 -1.345 18733 612 1 2 . 1 1 64 64 GLU HA H 64 4.035 4.035 4.086 -0.051 18733 613 1 2 . 1 1 64 64 GLU CA C 64 59.672 59.672 59.197 0.475 18733 614 1 2 . 1 1 64 64 GLU CB C 64 29.755 29.755 29.093 0.662 18733 615 1 2 . 1 1 65 65 MET N N 65 118.493 118.493 115.344 3.149 18733 616 1 2 . 1 1 65 65 MET HA H 65 4.077 4.077 4.495 -0.418 18733 617 1 2 . 1 1 65 65 MET CA C 65 59.488 59.488 58.029 1.460 18733 618 1 2 . 1 1 65 65 MET CB C 65 34.335 34.335 32.693 1.642 18733 619 1 2 . 1 1 66 66 MET N N 66 117.848 117.848 118.027 -0.179 18733 620 1 2 . 1 1 66 66 MET HA H 66 4.127 4.127 4.094 0.033 18733 621 1 2 . 1 1 66 66 MET CA C 66 59.790 59.790 58.413 1.377 18733 622 1 2 . 1 1 66 66 MET CB C 66 31.196 31.196 32.574 -1.378 18733 623 1 2 . 1 1 67 67 ASP N N 67 118.987 118.987 120.047 -1.060 18733 624 1 2 . 1 1 67 67 ASP HA H 67 4.283 4.283 4.384 -0.101 18733 625 1 2 . 1 1 67 67 ASP CA C 67 57.892 57.892 57.406 0.486 18733 626 1 2 . 1 1 67 67 ASP CB C 67 39.885 39.885 41.322 -1.438 18733 627 1 2 . 1 1 68 68 TYR N N 68 119.790 119.790 115.967 3.823 18733 628 1 2 . 1 1 68 68 TYR HA H 68 4.118 4.118 4.507 -0.389 18733 629 1 2 . 1 1 68 68 TYR CA C 68 61.588 61.588 58.224 3.364 18733 630 1 2 . 1 1 68 68 TYR CB C 68 37.806 37.806 37.827 -0.021 18733 631 1 2 . 1 1 69 69 TYR N N 69 118.552 118.552 119.807 -1.255 18733 632 1 2 . 1 1 69 69 TYR HA H 69 4.057 4.057 3.832 0.225 18733 633 1 2 . 1 1 69 69 TYR CA C 69 62.536 62.536 59.637 2.899 18733 634 1 2 . 1 1 69 69 TYR CB C 69 37.582 37.582 37.664 -0.082 18733 635 1 2 . 1 1 70 70 MET N N 70 117.939 117.939 117.474 0.465 18733 636 1 2 . 1 1 70 70 MET HA H 70 4.489 4.489 4.167 0.322 18733 637 1 2 . 1 1 70 70 MET CA C 70 58.947 58.947 58.515 0.432 18733 638 1 2 . 1 1 70 70 MET CB C 70 31.380 31.380 32.488 -1.108 18733 639 1 2 . 1 1 71 71 ASP N N 71 120.118 120.118 119.048 1.070 18733 640 1 2 . 1 1 71 71 ASP HA H 71 4.390 4.390 4.751 -0.361 18733 641 1 2 . 1 1 71 71 ASP CA C 71 57.730 57.730 54.741 2.989 18733 642 1 2 . 1 1 71 71 ASP CB C 71 40.050 40.050 40.219 -0.169 18733 643 1 2 . 1 1 72 72 ARG N N 72 118.091 118.091 118.453 -0.362 18733 644 1 2 . 1 1 72 72 ARG HA H 72 4.107 4.107 4.654 -0.547 18733 645 1 2 . 1 1 72 72 ARG CA C 72 58.260 58.260 56.289 1.971 18733 646 1 2 . 1 1 72 72 ARG CB C 72 31.091 31.091 32.063 -0.973 18733 647 1 2 . 1 1 73 73 TYR N N 73 121.878 121.878 115.661 6.217 18733 648 1 2 . 1 1 73 73 TYR HA H 73 4.178 4.178 4.968 -0.790 18733 649 1 2 . 1 1 73 73 TYR CA C 73 61.440 61.440 54.615 6.825 18733 650 1 2 . 1 1 73 73 TYR CB C 73 38.677 38.677 38.289 0.387 18733 651 1 2 . 1 1 74 74 LYS N N 74 119.791 119.791 123.541 -3.750 18733 652 1 2 . 1 1 74 74 LYS HA H 74 3.564 3.564 3.673 -0.109 18733 653 1 2 . 1 1 74 74 LYS CA C 74 60.621 60.621 60.095 0.526 18733 654 1 2 . 1 1 74 74 LYS CB C 74 32.225 32.225 31.863 0.361 18733 655 1 2 . 1 1 75 75 GLU N N 75 116.140 116.140 117.053 -0.913 18733 656 1 2 . 1 1 75 75 GLU HA H 75 4.004 4.004 4.030 -0.026 18733 657 1 2 . 1 1 75 75 GLU CA C 75 59.293 59.293 59.189 0.104 18733 658 1 2 . 1 1 75 75 GLU CB C 75 29.627 29.627 28.820 0.807 18733 659 1 2 . 1 1 76 76 MET N N 76 119.200 119.200 118.519 0.681 18733 660 1 2 . 1 1 76 76 MET HA H 76 4.250 4.250 4.179 0.071 18733 661 1 2 . 1 1 76 76 MET CA C 76 60.058 60.058 58.509 1.549 18733 662 1 2 . 1 1 76 76 MET CB C 76 32.751 32.751 32.427 0.324 18733 663 1 2 . 1 1 77 77 LEU N N 77 125.191 125.191 119.209 5.982 18733 664 1 2 . 1 1 77 77 LEU HA H 77 3.703 3.703 3.964 -0.261 18733 665 1 2 . 1 1 77 77 LEU CA C 77 58.589 58.589 57.274 1.315 18733 666 1 2 . 1 1 77 77 LEU CB C 77 41.650 41.650 41.730 -0.080 18733 667 1 2 . 1 1 78 78 ASP N N 78 119.843 119.843 120.434 -0.591 18733 668 1 2 . 1 1 78 78 ASP HA H 78 4.177 4.177 4.343 -0.166 18733 669 1 2 . 1 1 78 78 ASP CA C 78 58.584 58.584 57.576 1.008 18733 670 1 2 . 1 1 78 78 ASP CB C 78 42.352 42.352 41.001 1.351 18733 671 1 2 . 1 1 79 79 ALA N N 79 117.168 117.168 121.342 -4.174 18733 672 1 2 . 1 1 79 79 ALA HA H 79 4.077 4.077 4.201 -0.124 18733 673 1 2 . 1 1 79 79 ALA CA C 79 55.317 55.317 54.186 1.131 18733 674 1 2 . 1 1 79 79 ALA CB C 79 18.335 18.335 18.595 -0.260 18733 675 1 2 . 1 1 80 80 ASN N N 80 115.882 115.882 113.965 1.917 18733 676 1 2 . 1 1 80 80 ASN HA H 80 4.416 4.416 4.913 -0.497 18733 677 1 2 . 1 1 80 80 ASN CA C 80 57.791 57.791 53.078 4.713 18733 678 1 2 . 1 1 80 80 ASN CB C 80 40.251 40.251 39.745 0.506 18733 679 1 2 . 1 1 81 81 MET N N 81 120.945 120.945 119.832 1.113 18733 680 1 2 . 1 1 81 81 MET HA H 81 4.129 4.129 4.497 -0.368 18733 681 1 2 . 1 1 81 81 MET CA C 81 58.954 58.954 55.239 3.715 18733 682 1 2 . 1 1 81 81 MET CB C 81 31.937 31.937 32.643 -0.706 18733 683 1 2 . 1 1 82 82 GLU N N 82 116.578 116.578 114.129 2.449 18733 684 1 2 . 1 1 82 82 GLU HA H 82 3.979 3.979 4.025 -0.046 18733 685 1 2 . 1 1 82 82 GLU CA C 82 59.214 59.214 58.424 0.790 18733 686 1 2 . 1 1 82 82 GLU CB C 82 29.207 29.207 28.688 0.519 18733 687 1 2 . 1 1 83 83 ASP N N 83 119.199 119.199 119.650 -0.451 18733 688 1 2 . 1 1 83 83 ASP HA H 83 4.399 4.399 4.297 0.102 18733 689 1 2 . 1 1 83 83 ASP CA C 83 57.554 57.554 57.380 0.174 18733 690 1 2 . 1 1 83 83 ASP CB C 83 42.088 42.088 40.748 1.340 18733 691 1 2 . 1 1 84 84 TYR N N 84 117.904 117.904 117.252 0.652 18733 692 1 2 . 1 1 84 84 TYR HA H 84 3.931 3.931 4.493 -0.562 18733 693 1 2 . 1 1 84 84 TYR CA C 84 63.663 63.663 59.505 4.158 18733 694 1 2 . 1 1 84 84 TYR CB C 84 39.134 39.134 38.018 1.116 18733 695 1 2 . 1 1 85 85 ILE N N 85 116.362 116.362 120.108 -3.746 18733 696 1 2 . 1 1 85 85 ILE HA H 85 3.752 3.752 3.839 -0.087 18733 697 1 2 . 1 1 85 85 ILE CA C 85 66.287 66.287 64.305 1.982 18733 698 1 2 . 1 1 85 85 ILE CB C 85 38.815 38.815 37.964 0.851 18733 699 1 2 . 1 1 86 86 GLU N N 86 117.696 117.696 118.689 -0.993 18733 700 1 2 . 1 1 86 86 GLU HA H 86 3.896 3.896 4.182 -0.286 18733 701 1 2 . 1 1 86 86 GLU CA C 86 59.290 59.290 59.070 0.220 18733 702 1 2 . 1 1 86 86 GLU CB C 86 29.660 29.660 29.398 0.262 18733 703 1 2 . 1 1 87 87 ASN N N 87 113.943 113.943 116.846 -2.903 18733 704 1 2 . 1 1 87 87 ASN HA H 87 4.933 4.933 4.964 -0.031 18733 705 1 2 . 1 1 87 87 ASN CA C 87 52.462 52.462 52.934 -0.472 18733 706 1 2 . 1 1 87 87 ASN CB C 87 38.847 38.847 39.444 -0.597 18733 707 1 2 . 1 1 88 88 PHE N N 88 123.733 123.733 122.470 1.263 18733 708 1 2 . 1 1 88 88 PHE HA H 88 4.141 4.141 4.397 -0.256 18733 709 1 2 . 1 1 88 88 PHE CA C 88 63.888 63.888 62.770 1.118 18733 710 1 2 . 1 1 88 88 PHE CB C 88 41.768 41.768 39.206 2.562 18733 711 1 2 . 1 1 89 89 ASP N N 89 117.257 117.257 117.457 -0.200 18733 712 1 2 . 1 1 89 89 ASP HA H 89 4.386 4.386 4.063 0.323 18733 713 1 2 . 1 1 89 89 ASP CA C 89 57.468 57.468 56.813 0.654 18733 714 1 2 . 1 1 89 89 ASP CB C 89 39.886 39.886 40.749 -0.863 18733 715 1 2 . 1 1 90 90 HIS N N 90 121.385 121.385 117.240 4.145 18733 716 1 2 . 1 1 90 90 HIS HA H 90 4.294 4.294 4.299 -0.005 18733 717 1 2 . 1 1 90 90 HIS CA C 90 59.081 59.081 59.345 -0.264 18733 718 1 2 . 1 1 90 90 HIS CB C 90 29.949 29.949 30.816 -0.867 18733 719 1 2 . 1 1 91 91 TYR N N 91 118.440 118.440 120.081 -1.641 18733 720 1 2 . 1 1 91 91 TYR HA H 91 4.192 4.192 4.493 -0.301 18733 721 1 2 . 1 1 91 91 TYR CA C 91 59.618 59.618 61.500 -1.882 18733 722 1 2 . 1 1 91 91 TYR CB C 91 36.860 36.860 38.307 -1.448 18733 723 1 2 . 1 1 92 92 ARG N N 92 119.028 119.028 118.426 0.602 18733 724 1 2 . 1 1 92 92 ARG HA H 92 4.023 4.023 3.954 0.069 18733 725 1 2 . 1 1 92 92 ARG CA C 92 57.308 57.308 58.160 -0.852 18733 726 1 2 . 1 1 92 92 ARG CB C 92 29.129 29.129 29.474 -0.345 18733 727 1 2 . 1 1 93 93 ALA N N 93 120.513 120.513 119.297 1.216 18733 728 1 2 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.371 -0.160 18733 729 1 2 . 1 1 93 93 ALA CA C 93 53.603 53.603 53.462 0.141 18733 730 1 2 . 1 1 93 93 ALA CB C 93 18.864 18.864 19.894 -1.030 18733 731 1 2 . 1 1 94 94 THR N N 94 108.668 108.668 109.570 -0.902 18733 732 1 2 . 1 1 94 94 THR HA H 94 4.249 4.249 4.354 -0.105 18733 733 1 2 . 1 1 94 94 THR CA C 94 62.170 62.170 61.099 1.071 18733 734 1 2 . 1 1 94 94 THR CB C 94 70.164 70.164 69.240 0.924 18733 735 1 2 . 1 1 95 95 GLN N N 95 122.873 122.873 120.356 2.517 18733 736 1 2 . 1 1 95 95 GLN HA H 95 4.288 4.288 4.348 -0.060 18733 737 1 2 . 1 1 95 95 GLN CA C 95 56.073 56.073 56.094 -0.021 18733 738 1 2 . 1 1 95 95 GLN CB C 95 28.903 28.903 29.605 -0.702 18733 739 1 3 . 1 1 2 2 ASN HA H 2 4.590 4.590 4.705 -0.115 18733 740 1 3 . 1 1 2 2 ASN CA C 2 53.554 53.554 53.311 0.243 18733 741 1 3 . 1 1 2 2 ASN CB C 2 38.650 38.650 37.585 1.065 18733 742 1 3 . 1 1 3 3 ASN HA H 3 4.526 4.526 5.071 -0.545 18733 743 1 3 . 1 1 3 3 ASN CA C 3 53.720 53.720 53.309 0.411 18733 744 1 3 . 1 1 3 3 ASN CB C 3 38.473 38.473 40.019 -1.546 18733 745 1 3 . 1 1 4 4 GLU N N 4 121.638 121.638 123.542 -1.904 18733 746 1 3 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.324 -0.238 18733 747 1 3 . 1 1 4 4 GLU CA C 4 57.656 57.656 58.785 -1.129 18733 748 1 3 . 1 1 4 4 GLU CB C 4 29.649 29.649 30.153 -0.504 18733 749 1 3 . 1 1 5 5 ASN N N 5 118.543 118.543 117.599 0.944 18733 750 1 3 . 1 1 5 5 ASN HA H 5 4.531 4.531 4.737 -0.206 18733 751 1 3 . 1 1 5 5 ASN CA C 5 55.114 55.114 53.203 1.911 18733 752 1 3 . 1 1 5 5 ASN CB C 5 38.417 38.417 38.821 -0.404 18733 753 1 3 . 1 1 6 6 ALA N N 6 123.531 123.531 120.832 2.699 18733 754 1 3 . 1 1 6 6 ALA HA H 6 4.057 4.057 4.127 -0.070 18733 755 1 3 . 1 1 6 6 ALA CA C 6 55.266 55.266 50.571 4.695 18733 756 1 3 . 1 1 6 6 ALA CB C 6 18.099 18.099 19.374 -1.275 18733 757 1 3 . 1 1 7 7 PHE N N 7 119.588 119.588 117.640 1.948 18733 758 1 3 . 1 1 7 7 PHE HA H 7 3.777 3.777 4.738 -0.961 18733 759 1 3 . 1 1 7 7 PHE CA C 7 61.179 61.179 54.554 6.625 18733 760 1 3 . 1 1 7 7 PHE CB C 7 38.947 38.947 35.784 3.163 18733 761 1 3 . 1 1 8 8 TYR N N 8 116.300 116.300 123.469 -7.169 18733 762 1 3 . 1 1 8 8 TYR HA H 8 4.007 4.007 4.125 -0.118 18733 763 1 3 . 1 1 8 8 TYR CA C 8 61.117 61.117 62.762 -1.645 18733 764 1 3 . 1 1 8 8 TYR CB C 8 37.370 37.370 36.797 0.573 18733 765 1 3 . 1 1 9 9 ALA N N 9 124.516 124.516 118.660 5.856 18733 766 1 3 . 1 1 9 9 ALA HA H 9 4.074 4.074 4.230 -0.156 18733 767 1 3 . 1 1 9 9 ALA CA C 9 55.415 55.415 54.065 1.350 18733 768 1 3 . 1 1 9 9 ALA CB C 9 17.797 17.797 18.325 -0.528 18733 769 1 3 . 1 1 10 10 ARG N N 10 118.255 118.255 117.967 0.288 18733 770 1 3 . 1 1 10 10 ARG HA H 10 3.857 3.857 4.253 -0.396 18733 771 1 3 . 1 1 10 10 ARG CA C 10 60.070 60.070 57.452 2.618 18733 772 1 3 . 1 1 10 10 ARG CB C 10 31.179 31.179 30.459 0.720 18733 773 1 3 . 1 1 11 11 ALA N N 11 119.258 119.258 121.801 -2.543 18733 774 1 3 . 1 1 11 11 ALA HA H 11 4.079 4.079 4.239 -0.160 18733 775 1 3 . 1 1 11 11 ALA CA C 11 55.152 55.152 54.667 0.485 18733 776 1 3 . 1 1 11 11 ALA CB C 11 19.072 19.072 17.966 1.105 18733 777 1 3 . 1 1 12 12 THR N N 12 114.669 114.669 115.228 -0.559 18733 778 1 3 . 1 1 12 12 THR HA H 12 3.761 3.761 3.943 -0.182 18733 779 1 3 . 1 1 12 12 THR CA C 12 67.028 67.028 67.468 -0.439 18733 780 1 3 . 1 1 12 12 THR CB C 12 68.661 68.661 68.745 -0.083 18733 781 1 3 . 1 1 13 13 GLU N N 13 120.838 120.838 120.562 0.276 18733 782 1 3 . 1 1 13 13 GLU HA H 13 3.782 3.782 4.240 -0.458 18733 783 1 3 . 1 1 13 13 GLU CA C 13 59.781 59.781 58.520 1.261 18733 784 1 3 . 1 1 13 13 GLU CB C 13 29.713 29.713 29.516 0.197 18733 785 1 3 . 1 1 14 14 LEU N N 14 119.831 119.831 120.777 -0.946 18733 786 1 3 . 1 1 14 14 LEU HA H 14 3.616 3.616 4.220 -0.604 18733 787 1 3 . 1 1 14 14 LEU CA C 14 58.363 58.363 57.895 0.468 18733 788 1 3 . 1 1 14 14 LEU CB C 14 42.109 42.109 41.559 0.550 18733 789 1 3 . 1 1 15 15 ILE N N 15 119.150 119.150 117.712 1.438 18733 790 1 3 . 1 1 15 15 ILE HA H 15 3.376 3.376 3.586 -0.210 18733 791 1 3 . 1 1 15 15 ILE CA C 15 66.274 66.274 64.846 1.428 18733 792 1 3 . 1 1 15 15 ILE CB C 15 38.343 38.343 37.292 1.051 18733 793 1 3 . 1 1 16 16 LYS N N 16 118.734 118.734 121.259 -2.525 18733 794 1 3 . 1 1 16 16 LYS HA H 16 3.808 3.808 4.069 -0.261 18733 795 1 3 . 1 1 16 16 LYS CA C 16 59.950 59.950 59.244 0.706 18733 796 1 3 . 1 1 16 16 LYS CB C 16 32.109 32.109 32.034 0.075 18733 797 1 3 . 1 1 17 17 LEU N N 17 121.376 121.376 119.754 1.622 18733 798 1 3 . 1 1 17 17 LEU HA H 17 4.017 4.017 4.202 -0.185 18733 799 1 3 . 1 1 17 17 LEU CA C 17 57.733 57.733 57.447 0.286 18733 800 1 3 . 1 1 17 17 LEU CB C 17 40.385 40.385 41.186 -0.801 18733 801 1 3 . 1 1 18 18 ALA N N 18 123.298 123.298 122.220 1.078 18733 802 1 3 . 1 1 18 18 ALA HA H 18 3.547 3.547 4.024 -0.477 18733 803 1 3 . 1 1 18 18 ALA CA C 18 55.031 55.031 55.126 -0.095 18733 804 1 3 . 1 1 18 18 ALA CB C 18 17.716 17.716 18.451 -0.736 18733 805 1 3 . 1 1 19 19 ASN N N 19 114.581 114.581 116.341 -1.760 18733 806 1 3 . 1 1 19 19 ASN HA H 19 4.504 4.504 4.507 -0.003 18733 807 1 3 . 1 1 19 19 ASN CA C 19 55.633 55.633 55.343 0.290 18733 808 1 3 . 1 1 19 19 ASN CB C 19 37.683 37.683 38.096 -0.413 18733 809 1 3 . 1 1 20 20 GLN N N 20 122.054 122.054 119.175 2.879 18733 810 1 3 . 1 1 20 20 GLN HA H 20 3.959 3.959 4.260 -0.301 18733 811 1 3 . 1 1 20 20 GLN CA C 20 58.913 58.913 58.545 0.368 18733 812 1 3 . 1 1 20 20 GLN CB C 20 28.293 28.293 28.804 -0.511 18733 813 1 3 . 1 1 21 21 GLN N N 21 120.962 120.962 118.498 2.464 18733 814 1 3 . 1 1 21 21 GLN HA H 21 3.863 3.863 4.201 -0.338 18733 815 1 3 . 1 1 21 21 GLN CA C 21 58.371 58.371 58.286 0.085 18733 816 1 3 . 1 1 21 21 GLN CB C 21 27.603 27.603 28.823 -1.220 18733 817 1 3 . 1 1 22 22 ASN N N 22 114.486 114.486 117.207 -2.721 18733 818 1 3 . 1 1 22 22 ASN HA H 22 4.550 4.550 4.598 -0.048 18733 819 1 3 . 1 1 22 22 ASN CA C 22 53.545 53.545 53.316 0.229 18733 820 1 3 . 1 1 22 22 ASN CB C 22 39.752 39.752 38.428 1.324 18733 821 1 3 . 1 1 23 23 GLN N N 23 117.002 117.002 116.784 0.218 18733 822 1 3 . 1 1 23 23 GLN HA H 23 4.121 4.121 4.279 -0.158 18733 823 1 3 . 1 1 23 23 GLN CA C 23 56.336 56.336 56.061 0.275 18733 824 1 3 . 1 1 23 23 GLN CB C 23 28.367 28.367 29.128 -0.761 18733 825 1 3 . 1 1 24 24 ASN N N 24 117.868 117.868 119.492 -1.624 18733 826 1 3 . 1 1 24 24 ASN HA H 24 4.554 4.554 4.688 -0.134 18733 827 1 3 . 1 1 24 24 ASN CA C 24 53.550 53.550 53.475 0.075 18733 828 1 3 . 1 1 24 24 ASN CB C 24 38.856 38.856 38.947 -0.091 18733 829 1 3 . 1 1 25 25 THR N N 25 115.612 115.612 120.740 -5.128 18733 830 1 3 . 1 1 25 25 THR HA H 25 4.193 4.193 4.086 0.107 18733 831 1 3 . 1 1 25 25 THR CA C 25 63.026 63.026 64.598 -1.572 18733 832 1 3 . 1 1 25 25 THR CB C 25 69.388 69.388 68.929 0.459 18733 833 1 3 . 1 1 26 26 GLU N N 26 119.600 119.600 118.682 0.918 18733 834 1 3 . 1 1 26 26 GLU HA H 26 4.213 4.213 4.289 -0.076 18733 835 1 3 . 1 1 26 26 GLU CA C 26 56.803 56.803 56.455 0.349 18733 836 1 3 . 1 1 26 26 GLU CB C 26 29.566 29.566 29.510 0.056 18733 837 1 3 . 1 1 27 27 ILE N N 27 118.383 118.383 122.263 -3.880 18733 838 1 3 . 1 1 27 27 ILE HA H 27 4.320 4.320 4.209 0.111 18733 839 1 3 . 1 1 27 27 ILE CA C 27 59.638 59.638 60.722 -1.084 18733 840 1 3 . 1 1 27 27 ILE CB C 27 39.531 39.531 39.065 0.466 18733 841 1 3 . 1 1 28 28 GLN N N 28 122.321 122.321 124.835 -2.514 18733 842 1 3 . 1 1 28 28 GLN HA H 28 4.593 4.593 4.430 0.163 18733 843 1 3 . 1 1 28 28 GLN CA C 28 54.684 54.684 55.579 -0.895 18733 844 1 3 . 1 1 28 28 GLN CB C 28 30.183 30.183 29.607 0.576 18733 845 1 3 . 1 1 29 29 THR N N 29 119.517 119.517 117.046 2.471 18733 846 1 3 . 1 1 29 29 THR HA H 29 3.916 3.916 4.051 -0.135 18733 847 1 3 . 1 1 29 29 THR CA C 29 65.895 65.895 65.272 0.623 18733 848 1 3 . 1 1 29 29 THR CB C 29 68.708 68.708 68.471 0.237 18733 849 1 3 . 1 1 30 30 GLY N N 30 109.285 109.285 109.503 -0.218 18733 850 1 3 . 1 1 30 30 GLY CA C 30 47.126 47.126 46.497 0.629 18733 851 1 3 . 1 1 31 31 GLU N N 31 120.940 120.940 121.051 -0.111 18733 852 1 3 . 1 1 31 31 GLU HA H 31 4.259 4.259 4.266 -0.007 18733 853 1 3 . 1 1 31 31 GLU CA C 31 59.424 59.424 58.115 1.309 18733 854 1 3 . 1 1 31 31 GLU CB C 31 29.410 29.410 29.307 0.103 18733 855 1 3 . 1 1 32 32 VAL N N 32 122.718 122.718 119.593 3.125 18733 856 1 3 . 1 1 32 32 VAL HA H 32 3.568 3.568 3.879 -0.311 18733 857 1 3 . 1 1 32 32 VAL CA C 32 66.122 66.122 65.598 0.524 18733 858 1 3 . 1 1 32 32 VAL CB C 32 31.157 31.157 31.910 -0.753 18733 859 1 3 . 1 1 33 33 SER N N 33 114.886 114.886 116.704 -1.818 18733 860 1 3 . 1 1 33 33 SER HA H 33 4.112 4.112 4.162 -0.050 18733 861 1 3 . 1 1 33 33 SER CA C 33 62.119 62.119 61.843 0.276 18733 862 1 3 . 1 1 33 33 SER CB C 33 63.293 63.293 62.848 0.445 18733 863 1 3 . 1 1 34 34 ALA N N 34 121.240 121.240 123.542 -2.302 18733 864 1 3 . 1 1 34 34 ALA HA H 34 4.505 4.505 4.205 0.300 18733 865 1 3 . 1 1 34 34 ALA CA C 34 55.790 55.790 55.112 0.678 18733 866 1 3 . 1 1 34 34 ALA CB C 34 18.845 18.845 18.212 0.633 18733 867 1 3 . 1 1 35 35 SER N N 35 111.131 111.131 115.768 -4.637 18733 868 1 3 . 1 1 35 35 SER HA H 35 3.420 3.420 4.331 -0.911 18733 869 1 3 . 1 1 35 35 SER CA C 35 61.316 61.316 62.342 -1.026 18733 870 1 3 . 1 1 35 35 SER CB C 35 62.547 62.547 63.125 -0.578 18733 871 1 3 . 1 1 36 36 PHE N N 36 127.676 127.676 123.278 4.398 18733 872 1 3 . 1 1 36 36 PHE HA H 36 4.490 4.490 4.253 0.237 18733 873 1 3 . 1 1 36 36 PHE CA C 36 57.592 57.592 61.360 -3.768 18733 874 1 3 . 1 1 36 36 PHE CB C 36 38.111 38.111 39.478 -1.367 18733 875 1 3 . 1 1 37 37 MET N N 37 119.851 119.851 120.255 -0.404 18733 876 1 3 . 1 1 37 37 MET HA H 37 3.859 3.859 4.133 -0.274 18733 877 1 3 . 1 1 37 37 MET CA C 37 59.444 59.444 59.557 -0.113 18733 878 1 3 . 1 1 37 37 MET CB C 37 33.517 33.517 32.775 0.742 18733 879 1 3 . 1 1 38 38 TRP N N 38 121.153 121.153 121.024 0.129 18733 880 1 3 . 1 1 38 38 TRP HA H 38 3.981 3.981 4.213 -0.232 18733 881 1 3 . 1 1 38 38 TRP CA C 38 62.129 62.129 60.483 1.646 18733 882 1 3 . 1 1 38 38 TRP CB C 38 29.930 29.930 29.729 0.201 18733 883 1 3 . 1 1 39 39 ALA N N 39 119.518 119.518 121.897 -2.379 18733 884 1 3 . 1 1 39 39 ALA HA H 39 3.880 3.880 3.902 -0.022 18733 885 1 3 . 1 1 39 39 ALA CA C 39 55.231 55.231 54.809 0.422 18733 886 1 3 . 1 1 39 39 ALA CB C 39 20.477 20.477 17.864 2.613 18733 887 1 3 . 1 1 40 40 LEU N N 40 116.794 116.794 119.724 -2.930 18733 888 1 3 . 1 1 40 40 LEU HA H 40 2.741 2.741 3.947 -1.206 18733 889 1 3 . 1 1 40 40 LEU CA C 40 56.979 56.979 56.795 0.184 18733 890 1 3 . 1 1 40 40 LEU CB C 40 40.563 40.563 41.328 -0.764 18733 891 1 3 . 1 1 41 41 ALA N N 41 120.249 120.249 121.995 -1.746 18733 892 1 3 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.829 -0.166 18733 893 1 3 . 1 1 41 41 ALA CA C 41 54.943 54.943 55.069 -0.126 18733 894 1 3 . 1 1 41 41 ALA CB C 41 17.512 17.512 17.985 -0.473 18733 895 1 3 . 1 1 42 42 ARG N N 42 118.787 118.787 117.649 1.138 18733 896 1 3 . 1 1 42 42 ARG HA H 42 3.315 3.315 3.815 -0.500 18733 897 1 3 . 1 1 42 42 ARG CA C 42 60.027 60.027 58.803 1.224 18733 898 1 3 . 1 1 42 42 ARG CB C 42 29.084 29.084 30.061 -0.977 18733 899 1 3 . 1 1 43 43 TYR N N 43 122.429 122.429 119.729 2.700 18733 900 1 3 . 1 1 43 43 TYR HA H 43 3.956 3.956 4.347 -0.391 18733 901 1 3 . 1 1 43 43 TYR CA C 43 63.225 63.225 61.185 2.039 18733 902 1 3 . 1 1 43 43 TYR CB C 43 39.819 39.819 38.674 1.145 18733 903 1 3 . 1 1 44 44 ASN N N 44 116.736 116.736 116.980 -0.244 18733 904 1 3 . 1 1 44 44 ASN HA H 44 4.170 4.170 4.468 -0.298 18733 905 1 3 . 1 1 44 44 ASN CA C 44 56.267 56.267 55.197 1.070 18733 906 1 3 . 1 1 44 44 ASN CB C 44 37.894 37.894 38.157 -0.263 18733 907 1 3 . 1 1 45 45 ALA N N 45 124.950 124.950 122.047 2.903 18733 908 1 3 . 1 1 45 45 ALA HA H 45 3.862 3.862 4.301 -0.439 18733 909 1 3 . 1 1 45 45 ALA CA C 45 55.465 55.465 54.532 0.933 18733 910 1 3 . 1 1 45 45 ALA CB C 45 18.587 18.587 18.164 0.423 18733 911 1 3 . 1 1 46 46 TRP N N 46 119.686 119.686 120.610 -0.924 18733 912 1 3 . 1 1 46 46 TRP HA H 46 2.849 2.849 4.279 -1.430 18733 913 1 3 . 1 1 46 46 TRP CA C 46 60.783 60.783 58.624 2.159 18733 914 1 3 . 1 1 46 46 TRP CB C 46 26.470 26.470 28.662 -2.192 18733 915 1 3 . 1 1 47 47 PHE N N 47 121.090 121.090 116.669 4.421 18733 916 1 3 . 1 1 47 47 PHE HA H 47 2.939 2.939 4.635 -1.696 18733 917 1 3 . 1 1 47 47 PHE CA C 47 59.116 59.116 58.569 0.547 18733 918 1 3 . 1 1 47 47 PHE CB C 47 38.212 38.212 38.634 -0.422 18733 919 1 3 . 1 1 48 48 GLY N N 48 109.386 109.386 108.571 0.815 18733 920 1 3 . 1 1 48 48 GLY CA C 48 47.209 47.209 47.056 0.153 18733 921 1 3 . 1 1 49 49 SER N N 49 118.098 118.098 114.507 3.591 18733 922 1 3 . 1 1 49 49 SER CA C 49 62.016 62.016 60.305 1.711 18733 923 1 3 . 1 1 49 49 SER CB C 49 63.411 63.411 63.217 0.194 18733 924 1 3 . 1 1 50 50 THR N N 50 110.801 110.801 114.888 -4.087 18733 925 1 3 . 1 1 50 50 THR HA H 50 3.851 3.851 4.444 -0.593 18733 926 1 3 . 1 1 50 50 THR CA C 50 63.914 63.914 61.920 1.994 18733 927 1 3 . 1 1 50 50 THR CB C 50 69.676 69.676 69.142 0.534 18733 928 1 3 . 1 1 51 51 SER N N 51 115.249 115.249 117.617 -2.368 18733 929 1 3 . 1 1 51 51 SER HA H 51 3.990 3.990 4.386 -0.396 18733 930 1 3 . 1 1 51 51 SER CA C 51 59.360 59.360 60.892 -1.532 18733 931 1 3 . 1 1 51 51 SER CB C 51 63.142 63.142 64.178 -1.036 18733 932 1 3 . 1 1 52 52 PHE N N 52 118.004 118.004 117.153 0.851 18733 933 1 3 . 1 1 52 52 PHE HA H 52 4.861 4.861 4.761 0.100 18733 934 1 3 . 1 1 52 52 PHE CA C 52 57.045 57.045 57.047 -0.003 18733 935 1 3 . 1 1 52 52 PHE CB C 52 42.165 42.165 42.057 0.108 18733 936 1 3 . 1 1 53 53 GLU N N 53 119.224 119.224 118.777 0.447 18733 937 1 3 . 1 1 53 53 GLU HA H 53 4.415 4.415 4.333 0.082 18733 938 1 3 . 1 1 53 53 GLU CA C 53 57.653 57.653 56.885 0.769 18733 939 1 3 . 1 1 53 53 GLU CB C 53 31.679 31.679 30.137 1.542 18733 940 1 3 . 1 1 54 54 THR N N 54 105.230 105.230 112.538 -7.308 18733 941 1 3 . 1 1 54 54 THR HA H 54 4.529 4.529 4.655 -0.126 18733 942 1 3 . 1 1 54 54 THR CA C 54 58.360 58.360 60.568 -2.208 18733 943 1 3 . 1 1 54 54 THR CB C 54 73.366 73.366 72.417 0.949 18733 944 1 3 . 1 1 55 55 LYS N N 55 122.509 122.509 122.355 0.154 18733 945 1 3 . 1 1 55 55 LYS HA H 55 2.752 2.752 4.100 -1.348 18733 946 1 3 . 1 1 55 55 LYS CA C 55 58.567 58.567 58.937 -0.370 18733 947 1 3 . 1 1 55 55 LYS CB C 55 32.829 32.829 32.102 0.727 18733 948 1 3 . 1 1 56 56 GLU N N 56 117.867 117.867 119.149 -1.282 18733 949 1 3 . 1 1 56 56 GLU HA H 56 3.785 3.785 4.079 -0.294 18733 950 1 3 . 1 1 56 56 GLU CA C 56 60.334 60.334 59.440 0.894 18733 951 1 3 . 1 1 56 56 GLU CB C 56 28.185 28.185 29.323 -1.138 18733 952 1 3 . 1 1 57 57 GLN N N 57 119.487 119.487 118.371 1.116 18733 953 1 3 . 1 1 57 57 GLN HA H 57 3.788 3.788 3.926 -0.138 18733 954 1 3 . 1 1 57 57 GLN CA C 57 58.056 58.056 57.918 0.138 18733 955 1 3 . 1 1 57 57 GLN CB C 57 28.577 28.577 28.681 -0.104 18733 956 1 3 . 1 1 58 58 MET N N 58 118.284 118.284 120.333 -2.049 18733 957 1 3 . 1 1 58 58 MET HA H 58 2.029 2.029 4.194 -2.165 18733 958 1 3 . 1 1 58 58 MET CA C 58 58.862 58.862 58.752 0.110 18733 959 1 3 . 1 1 58 58 MET CB C 58 30.814 30.814 32.799 -1.985 18733 960 1 3 . 1 1 59 59 GLN N N 59 116.663 116.663 119.385 -2.722 18733 961 1 3 . 1 1 59 59 GLN HA H 59 3.578 3.578 4.102 -0.524 18733 962 1 3 . 1 1 59 59 GLN CA C 59 59.361 59.361 58.788 0.573 18733 963 1 3 . 1 1 59 59 GLN CB C 59 28.975 28.975 28.638 0.337 18733 964 1 3 . 1 1 60 60 ALA N N 60 119.084 119.084 120.318 -1.234 18733 965 1 3 . 1 1 60 60 ALA HA H 60 4.028 4.028 4.243 -0.215 18733 966 1 3 . 1 1 60 60 ALA CA C 60 54.245 54.245 53.610 0.635 18733 967 1 3 . 1 1 60 60 ALA CB C 60 18.161 18.161 18.115 0.046 18733 968 1 3 . 1 1 61 61 LYS N N 61 115.215 115.215 116.992 -1.777 18733 969 1 3 . 1 1 61 61 LYS HA H 61 4.517 4.517 4.602 -0.085 18733 970 1 3 . 1 1 61 61 LYS CA C 61 54.188 54.188 55.513 -1.325 18733 971 1 3 . 1 1 61 61 LYS CB C 61 33.239 33.239 32.719 0.520 18733 972 1 3 . 1 1 62 62 LYS N N 62 122.199 122.199 120.679 1.520 18733 973 1 3 . 1 1 62 62 LYS HA H 62 3.582 3.582 3.964 -0.382 18733 974 1 3 . 1 1 62 62 LYS CA C 62 61.271 61.271 59.855 1.416 18733 975 1 3 . 1 1 62 62 LYS CB C 62 33.052 33.052 31.466 1.586 18733 976 1 3 . 1 1 63 63 GLN N N 63 117.101 117.101 118.678 -1.577 18733 977 1 3 . 1 1 63 63 GLN HA H 63 3.767 3.767 4.063 -0.296 18733 978 1 3 . 1 1 63 63 GLN CA C 63 58.948 58.948 58.492 0.457 18733 979 1 3 . 1 1 63 63 GLN CB C 63 27.823 27.823 27.772 0.051 18733 980 1 3 . 1 1 64 64 GLU N N 64 119.459 119.459 119.534 -0.075 18733 981 1 3 . 1 1 64 64 GLU HA H 64 4.035 4.035 4.120 -0.085 18733 982 1 3 . 1 1 64 64 GLU CA C 64 59.672 59.672 59.065 0.607 18733 983 1 3 . 1 1 64 64 GLU CB C 64 29.755 29.755 29.006 0.749 18733 984 1 3 . 1 1 65 65 MET N N 65 118.493 118.493 115.902 2.591 18733 985 1 3 . 1 1 65 65 MET HA H 65 4.077 4.077 4.525 -0.448 18733 986 1 3 . 1 1 65 65 MET CA C 65 59.488 59.488 58.089 1.399 18733 987 1 3 . 1 1 65 65 MET CB C 65 34.335 34.335 32.891 1.444 18733 988 1 3 . 1 1 66 66 MET N N 66 117.848 117.848 118.788 -0.940 18733 989 1 3 . 1 1 66 66 MET HA H 66 4.127 4.127 4.190 -0.063 18733 990 1 3 . 1 1 66 66 MET CA C 66 59.790 59.790 58.609 1.181 18733 991 1 3 . 1 1 66 66 MET CB C 66 31.196 31.196 32.346 -1.149 18733 992 1 3 . 1 1 67 67 ASP N N 67 118.987 118.987 120.111 -1.124 18733 993 1 3 . 1 1 67 67 ASP HA H 67 4.283 4.283 4.398 -0.115 18733 994 1 3 . 1 1 67 67 ASP CA C 67 57.892 57.892 57.702 0.190 18733 995 1 3 . 1 1 67 67 ASP CB C 67 39.885 39.885 41.149 -1.264 18733 996 1 3 . 1 1 68 68 TYR N N 68 119.790 119.790 113.708 6.082 18733 997 1 3 . 1 1 68 68 TYR HA H 68 4.118 4.118 4.612 -0.494 18733 998 1 3 . 1 1 68 68 TYR CA C 68 61.588 61.588 57.634 3.954 18733 999 1 3 . 1 1 68 68 TYR CB C 68 37.806 37.806 38.302 -0.496 18733 1000 1 3 . 1 1 69 69 TYR N N 69 118.552 118.552 118.741 -0.189 18733 1001 1 3 . 1 1 69 69 TYR HA H 69 4.057 4.057 3.841 0.216 18733 1002 1 3 . 1 1 69 69 TYR CA C 69 62.536 62.536 59.491 3.045 18733 1003 1 3 . 1 1 69 69 TYR CB C 69 37.582 37.582 38.015 -0.433 18733 1004 1 3 . 1 1 70 70 MET N N 70 117.939 117.939 117.698 0.241 18733 1005 1 3 . 1 1 70 70 MET HA H 70 4.489 4.489 4.065 0.424 18733 1006 1 3 . 1 1 70 70 MET CA C 70 58.947 58.947 58.767 0.180 18733 1007 1 3 . 1 1 70 70 MET CB C 70 31.380 31.380 32.367 -0.987 18733 1008 1 3 . 1 1 71 71 ASP N N 71 120.118 120.118 115.832 4.286 18733 1009 1 3 . 1 1 71 71 ASP HA H 71 4.390 4.390 4.874 -0.484 18733 1010 1 3 . 1 1 71 71 ASP CA C 71 57.730 57.730 53.589 4.141 18733 1011 1 3 . 1 1 71 71 ASP CB C 71 40.050 40.050 40.645 -0.595 18733 1012 1 3 . 1 1 72 72 ARG N N 72 118.091 118.091 118.902 -0.811 18733 1013 1 3 . 1 1 72 72 ARG HA H 72 4.107 4.107 4.354 -0.247 18733 1014 1 3 . 1 1 72 72 ARG CA C 72 58.260 58.260 58.312 -0.052 18733 1015 1 3 . 1 1 72 72 ARG CB C 72 31.091 31.091 31.428 -0.337 18733 1016 1 3 . 1 1 73 73 TYR N N 73 121.878 121.878 114.978 6.900 18733 1017 1 3 . 1 1 73 73 TYR HA H 73 4.178 4.178 4.795 -0.617 18733 1018 1 3 . 1 1 73 73 TYR CA C 73 61.440 61.440 53.934 7.506 18733 1019 1 3 . 1 1 73 73 TYR CB C 73 38.677 38.677 36.483 2.194 18733 1020 1 3 . 1 1 74 74 LYS N N 74 119.791 119.791 122.496 -2.705 18733 1021 1 3 . 1 1 74 74 LYS HA H 74 3.564 3.564 3.756 -0.192 18733 1022 1 3 . 1 1 74 74 LYS CA C 74 60.621 60.621 60.535 0.086 18733 1023 1 3 . 1 1 74 74 LYS CB C 74 32.225 32.225 32.342 -0.117 18733 1024 1 3 . 1 1 75 75 GLU N N 75 116.140 116.140 117.365 -1.225 18733 1025 1 3 . 1 1 75 75 GLU HA H 75 4.004 4.004 4.099 -0.095 18733 1026 1 3 . 1 1 75 75 GLU CA C 75 59.293 59.293 58.759 0.534 18733 1027 1 3 . 1 1 75 75 GLU CB C 75 29.627 29.627 28.669 0.959 18733 1028 1 3 . 1 1 76 76 MET N N 76 119.200 119.200 118.386 0.814 18733 1029 1 3 . 1 1 76 76 MET HA H 76 4.250 4.250 4.229 0.021 18733 1030 1 3 . 1 1 76 76 MET CA C 76 60.058 60.058 58.455 1.603 18733 1031 1 3 . 1 1 76 76 MET CB C 76 32.751 32.751 32.624 0.127 18733 1032 1 3 . 1 1 77 77 LEU N N 77 125.191 125.191 120.484 4.707 18733 1033 1 3 . 1 1 77 77 LEU HA H 77 3.703 3.703 4.048 -0.345 18733 1034 1 3 . 1 1 77 77 LEU CA C 77 58.589 58.589 57.443 1.146 18733 1035 1 3 . 1 1 77 77 LEU CB C 77 41.650 41.650 41.989 -0.338 18733 1036 1 3 . 1 1 78 78 ASP N N 78 119.843 119.843 120.683 -0.840 18733 1037 1 3 . 1 1 78 78 ASP HA H 78 4.177 4.177 4.332 -0.155 18733 1038 1 3 . 1 1 78 78 ASP CA C 78 58.584 58.584 57.562 1.022 18733 1039 1 3 . 1 1 78 78 ASP CB C 78 42.352 42.352 40.963 1.389 18733 1040 1 3 . 1 1 79 79 ALA N N 79 117.168 117.168 120.223 -3.055 18733 1041 1 3 . 1 1 79 79 ALA HA H 79 4.077 4.077 4.202 -0.125 18733 1042 1 3 . 1 1 79 79 ALA CA C 79 55.317 55.317 53.834 1.483 18733 1043 1 3 . 1 1 79 79 ALA CB C 79 18.335 18.335 18.692 -0.357 18733 1044 1 3 . 1 1 80 80 ASN N N 80 115.882 115.882 114.885 0.997 18733 1045 1 3 . 1 1 80 80 ASN HA H 80 4.416 4.416 4.920 -0.504 18733 1046 1 3 . 1 1 80 80 ASN CA C 80 57.791 57.791 53.530 4.261 18733 1047 1 3 . 1 1 80 80 ASN CB C 80 40.251 40.251 40.081 0.170 18733 1048 1 3 . 1 1 81 81 MET N N 81 120.945 120.945 119.080 1.865 18733 1049 1 3 . 1 1 81 81 MET HA H 81 4.129 4.129 4.605 -0.476 18733 1050 1 3 . 1 1 81 81 MET CA C 81 58.954 58.954 55.428 3.526 18733 1051 1 3 . 1 1 81 81 MET CB C 81 31.937 31.937 33.875 -1.938 18733 1052 1 3 . 1 1 82 82 GLU N N 82 116.578 116.578 113.653 2.925 18733 1053 1 3 . 1 1 82 82 GLU HA H 82 3.979 3.979 3.959 0.020 18733 1054 1 3 . 1 1 82 82 GLU CA C 82 59.214 59.214 58.373 0.841 18733 1055 1 3 . 1 1 82 82 GLU CB C 82 29.207 29.207 28.634 0.573 18733 1056 1 3 . 1 1 83 83 ASP N N 83 119.199 119.199 119.128 0.071 18733 1057 1 3 . 1 1 83 83 ASP HA H 83 4.399 4.399 4.397 0.002 18733 1058 1 3 . 1 1 83 83 ASP CA C 83 57.554 57.554 57.271 0.283 18733 1059 1 3 . 1 1 83 83 ASP CB C 83 42.088 42.088 40.815 1.273 18733 1060 1 3 . 1 1 84 84 TYR N N 84 117.904 117.904 116.540 1.364 18733 1061 1 3 . 1 1 84 84 TYR HA H 84 3.931 3.931 4.764 -0.833 18733 1062 1 3 . 1 1 84 84 TYR CA C 84 63.663 63.663 59.011 4.652 18733 1063 1 3 . 1 1 84 84 TYR CB C 84 39.134 39.134 38.333 0.801 18733 1064 1 3 . 1 1 85 85 ILE N N 85 116.362 116.362 119.778 -3.416 18733 1065 1 3 . 1 1 85 85 ILE HA H 85 3.752 3.752 3.457 0.295 18733 1066 1 3 . 1 1 85 85 ILE CA C 85 66.287 66.287 64.108 2.179 18733 1067 1 3 . 1 1 85 85 ILE CB C 85 38.815 38.815 37.882 0.933 18733 1068 1 3 . 1 1 86 86 GLU N N 86 117.696 117.696 118.517 -0.821 18733 1069 1 3 . 1 1 86 86 GLU HA H 86 3.896 3.896 4.118 -0.222 18733 1070 1 3 . 1 1 86 86 GLU CA C 86 59.290 59.290 58.966 0.324 18733 1071 1 3 . 1 1 86 86 GLU CB C 86 29.660 29.660 29.324 0.336 18733 1072 1 3 . 1 1 87 87 ASN N N 87 113.943 113.943 116.432 -2.489 18733 1073 1 3 . 1 1 87 87 ASN HA H 87 4.933 4.933 4.941 -0.008 18733 1074 1 3 . 1 1 87 87 ASN CA C 87 52.462 52.462 53.028 -0.565 18733 1075 1 3 . 1 1 87 87 ASN CB C 87 38.847 38.847 39.445 -0.598 18733 1076 1 3 . 1 1 88 88 PHE N N 88 123.733 123.733 122.846 0.887 18733 1077 1 3 . 1 1 88 88 PHE HA H 88 4.141 4.141 4.089 0.052 18733 1078 1 3 . 1 1 88 88 PHE CA C 88 63.888 63.888 61.712 2.176 18733 1079 1 3 . 1 1 88 88 PHE CB C 88 41.768 41.768 38.831 2.937 18733 1080 1 3 . 1 1 89 89 ASP N N 89 117.257 117.257 117.981 -0.724 18733 1081 1 3 . 1 1 89 89 ASP HA H 89 4.386 4.386 3.878 0.508 18733 1082 1 3 . 1 1 89 89 ASP CA C 89 57.468 57.468 57.615 -0.147 18733 1083 1 3 . 1 1 89 89 ASP CB C 89 39.886 39.886 40.433 -0.547 18733 1084 1 3 . 1 1 90 90 HIS N N 90 121.385 121.385 119.281 2.104 18733 1085 1 3 . 1 1 90 90 HIS HA H 90 4.294 4.294 4.105 0.189 18733 1086 1 3 . 1 1 90 90 HIS CA C 90 59.081 59.081 59.293 -0.212 18733 1087 1 3 . 1 1 90 90 HIS CB C 90 29.949 29.949 29.904 0.045 18733 1088 1 3 . 1 1 91 91 TYR N N 91 118.440 118.440 118.840 -0.400 18733 1089 1 3 . 1 1 91 91 TYR HA H 91 4.192 4.192 4.564 -0.372 18733 1090 1 3 . 1 1 91 91 TYR CA C 91 59.618 59.618 61.282 -1.664 18733 1091 1 3 . 1 1 91 91 TYR CB C 91 36.860 36.860 38.391 -1.531 18733 1092 1 3 . 1 1 92 92 ARG N N 92 119.028 119.028 120.102 -1.074 18733 1093 1 3 . 1 1 92 92 ARG HA H 92 4.023 4.023 4.396 -0.373 18733 1094 1 3 . 1 1 92 92 ARG CA C 92 57.308 57.308 57.461 -0.153 18733 1095 1 3 . 1 1 92 92 ARG CB C 92 29.129 29.129 29.451 -0.322 18733 1096 1 3 . 1 1 93 93 ALA N N 93 120.513 120.513 117.593 2.920 18733 1097 1 3 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.266 -0.055 18733 1098 1 3 . 1 1 93 93 ALA CA C 93 53.603 53.603 53.569 0.034 18733 1099 1 3 . 1 1 93 93 ALA CB C 93 18.864 18.864 18.943 -0.079 18733 1100 1 3 . 1 1 94 94 THR N N 94 108.668 108.668 110.304 -1.636 18733 1101 1 3 . 1 1 94 94 THR HA H 94 4.249 4.249 4.205 0.044 18733 1102 1 3 . 1 1 94 94 THR CA C 94 62.170 62.170 63.771 -1.601 18733 1103 1 3 . 1 1 94 94 THR CB C 94 70.164 70.164 69.484 0.680 18733 1104 1 3 . 1 1 95 95 GLN N N 95 122.873 122.873 121.027 1.846 18733 1105 1 3 . 1 1 95 95 GLN HA H 95 4.288 4.288 4.504 -0.216 18733 1106 1 3 . 1 1 95 95 GLN CA C 95 56.073 56.073 55.117 0.956 18733 1107 1 3 . 1 1 95 95 GLN CB C 95 28.903 28.903 30.205 -1.302 18733 1108 1 4 . 1 1 2 2 ASN HA H 2 4.590 4.590 4.754 -0.164 18733 1109 1 4 . 1 1 2 2 ASN CA C 2 53.554 53.554 53.662 -0.108 18733 1110 1 4 . 1 1 2 2 ASN CB C 2 38.650 38.650 38.820 -0.170 18733 1111 1 4 . 1 1 3 3 ASN HA H 3 4.526 4.526 4.958 -0.432 18733 1112 1 4 . 1 1 3 3 ASN CA C 3 53.720 53.720 52.569 1.151 18733 1113 1 4 . 1 1 3 3 ASN CB C 3 38.473 38.473 39.631 -1.158 18733 1114 1 4 . 1 1 4 4 GLU N N 4 121.638 121.638 121.127 0.511 18733 1115 1 4 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.083 0.003 18733 1116 1 4 . 1 1 4 4 GLU CA C 4 57.656 57.656 59.070 -1.414 18733 1117 1 4 . 1 1 4 4 GLU CB C 4 29.649 29.649 30.208 -0.559 18733 1118 1 4 . 1 1 5 5 ASN N N 5 118.543 118.543 116.042 2.501 18733 1119 1 4 . 1 1 5 5 ASN HA H 5 4.531 4.531 4.689 -0.158 18733 1120 1 4 . 1 1 5 5 ASN CA C 5 55.114 55.114 53.042 2.072 18733 1121 1 4 . 1 1 5 5 ASN CB C 5 38.417 38.417 39.459 -1.042 18733 1122 1 4 . 1 1 6 6 ALA N N 6 123.531 123.531 123.086 0.445 18733 1123 1 4 . 1 1 6 6 ALA HA H 6 4.057 4.057 4.160 -0.103 18733 1124 1 4 . 1 1 6 6 ALA CA C 6 55.266 55.266 50.275 4.991 18733 1125 1 4 . 1 1 6 6 ALA CB C 6 18.099 18.099 19.495 -1.396 18733 1126 1 4 . 1 1 7 7 PHE N N 7 119.588 119.588 117.798 1.790 18733 1127 1 4 . 1 1 7 7 PHE HA H 7 3.777 3.777 4.688 -0.911 18733 1128 1 4 . 1 1 7 7 PHE CA C 7 61.179 61.179 54.323 6.856 18733 1129 1 4 . 1 1 7 7 PHE CB C 7 38.947 38.947 35.918 3.029 18733 1130 1 4 . 1 1 8 8 TYR N N 8 116.300 116.300 123.172 -6.872 18733 1131 1 4 . 1 1 8 8 TYR HA H 8 4.007 4.007 4.083 -0.076 18733 1132 1 4 . 1 1 8 8 TYR CA C 8 61.117 61.117 62.925 -1.808 18733 1133 1 4 . 1 1 8 8 TYR CB C 8 37.370 37.370 36.946 0.424 18733 1134 1 4 . 1 1 9 9 ALA N N 9 124.516 124.516 118.867 5.649 18733 1135 1 4 . 1 1 9 9 ALA HA H 9 4.074 4.074 4.174 -0.100 18733 1136 1 4 . 1 1 9 9 ALA CA C 9 55.415 55.415 54.461 0.954 18733 1137 1 4 . 1 1 9 9 ALA CB C 9 17.797 17.797 18.244 -0.447 18733 1138 1 4 . 1 1 10 10 ARG N N 10 118.255 118.255 118.158 0.097 18733 1139 1 4 . 1 1 10 10 ARG HA H 10 3.857 3.857 4.497 -0.640 18733 1140 1 4 . 1 1 10 10 ARG CA C 10 60.070 60.070 57.353 2.717 18733 1141 1 4 . 1 1 10 10 ARG CB C 10 31.179 31.179 30.393 0.786 18733 1142 1 4 . 1 1 11 11 ALA N N 11 119.258 119.258 122.457 -3.199 18733 1143 1 4 . 1 1 11 11 ALA HA H 11 4.079 4.079 4.163 -0.084 18733 1144 1 4 . 1 1 11 11 ALA CA C 11 55.152 55.152 54.950 0.202 18733 1145 1 4 . 1 1 11 11 ALA CB C 11 19.072 19.072 17.954 1.118 18733 1146 1 4 . 1 1 12 12 THR N N 12 114.669 114.669 115.125 -0.456 18733 1147 1 4 . 1 1 12 12 THR HA H 12 3.761 3.761 3.927 -0.166 18733 1148 1 4 . 1 1 12 12 THR CA C 12 67.028 67.028 67.079 -0.051 18733 1149 1 4 . 1 1 12 12 THR CB C 12 68.661 68.661 68.827 -0.166 18733 1150 1 4 . 1 1 13 13 GLU N N 13 120.838 120.838 121.354 -0.516 18733 1151 1 4 . 1 1 13 13 GLU HA H 13 3.782 3.782 4.175 -0.393 18733 1152 1 4 . 1 1 13 13 GLU CA C 13 59.781 59.781 58.939 0.842 18733 1153 1 4 . 1 1 13 13 GLU CB C 13 29.713 29.713 29.492 0.221 18733 1154 1 4 . 1 1 14 14 LEU N N 14 119.831 119.831 120.511 -0.680 18733 1155 1 4 . 1 1 14 14 LEU HA H 14 3.616 3.616 4.188 -0.572 18733 1156 1 4 . 1 1 14 14 LEU CA C 14 58.363 58.363 57.949 0.414 18733 1157 1 4 . 1 1 14 14 LEU CB C 14 42.109 42.109 41.341 0.768 18733 1158 1 4 . 1 1 15 15 ILE N N 15 119.150 119.150 118.355 0.795 18733 1159 1 4 . 1 1 15 15 ILE HA H 15 3.376 3.376 3.532 -0.156 18733 1160 1 4 . 1 1 15 15 ILE CA C 15 66.274 66.274 65.260 1.014 18733 1161 1 4 . 1 1 15 15 ILE CB C 15 38.343 38.343 37.437 0.906 18733 1162 1 4 . 1 1 16 16 LYS N N 16 118.734 118.734 120.933 -2.199 18733 1163 1 4 . 1 1 16 16 LYS HA H 16 3.808 3.808 4.059 -0.251 18733 1164 1 4 . 1 1 16 16 LYS CA C 16 59.950 59.950 59.296 0.654 18733 1165 1 4 . 1 1 16 16 LYS CB C 16 32.109 32.109 32.157 -0.048 18733 1166 1 4 . 1 1 17 17 LEU N N 17 121.376 121.376 119.939 1.437 18733 1167 1 4 . 1 1 17 17 LEU HA H 17 4.017 4.017 4.168 -0.151 18733 1168 1 4 . 1 1 17 17 LEU CA C 17 57.733 57.733 57.690 0.043 18733 1169 1 4 . 1 1 17 17 LEU CB C 17 40.385 40.385 41.146 -0.761 18733 1170 1 4 . 1 1 18 18 ALA N N 18 123.298 123.298 121.709 1.589 18733 1171 1 4 . 1 1 18 18 ALA HA H 18 3.547 3.547 4.038 -0.491 18733 1172 1 4 . 1 1 18 18 ALA CA C 18 55.031 55.031 54.921 0.110 18733 1173 1 4 . 1 1 18 18 ALA CB C 18 17.716 17.716 18.529 -0.813 18733 1174 1 4 . 1 1 19 19 ASN N N 19 114.581 114.581 116.150 -1.569 18733 1175 1 4 . 1 1 19 19 ASN HA H 19 4.504 4.504 4.508 -0.004 18733 1176 1 4 . 1 1 19 19 ASN CA C 19 55.633 55.633 55.399 0.234 18733 1177 1 4 . 1 1 19 19 ASN CB C 19 37.683 37.683 38.150 -0.467 18733 1178 1 4 . 1 1 20 20 GLN N N 20 122.054 122.054 118.807 3.247 18733 1179 1 4 . 1 1 20 20 GLN HA H 20 3.959 3.959 4.306 -0.347 18733 1180 1 4 . 1 1 20 20 GLN CA C 20 58.913 58.913 58.367 0.545 18733 1181 1 4 . 1 1 20 20 GLN CB C 20 28.293 28.293 28.933 -0.640 18733 1182 1 4 . 1 1 21 21 GLN N N 21 120.962 120.962 118.395 2.567 18733 1183 1 4 . 1 1 21 21 GLN HA H 21 3.863 3.863 4.158 -0.295 18733 1184 1 4 . 1 1 21 21 GLN CA C 21 58.371 58.371 58.326 0.045 18733 1185 1 4 . 1 1 21 21 GLN CB C 21 27.603 27.603 28.454 -0.851 18733 1186 1 4 . 1 1 22 22 ASN N N 22 114.486 114.486 117.531 -3.045 18733 1187 1 4 . 1 1 22 22 ASN HA H 22 4.550 4.550 4.536 0.014 18733 1188 1 4 . 1 1 22 22 ASN CA C 22 53.545 53.545 54.317 -0.772 18733 1189 1 4 . 1 1 22 22 ASN CB C 22 39.752 39.752 38.630 1.122 18733 1190 1 4 . 1 1 23 23 GLN N N 23 117.002 117.002 116.819 0.183 18733 1191 1 4 . 1 1 23 23 GLN HA H 23 4.121 4.121 4.262 -0.141 18733 1192 1 4 . 1 1 23 23 GLN CA C 23 56.336 56.336 56.144 0.192 18733 1193 1 4 . 1 1 23 23 GLN CB C 23 28.367 28.367 28.754 -0.387 18733 1194 1 4 . 1 1 24 24 ASN N N 24 117.868 117.868 118.798 -0.930 18733 1195 1 4 . 1 1 24 24 ASN HA H 24 4.554 4.554 4.636 -0.082 18733 1196 1 4 . 1 1 24 24 ASN CA C 24 53.550 53.550 54.408 -0.858 18733 1197 1 4 . 1 1 24 24 ASN CB C 24 38.856 38.856 39.133 -0.277 18733 1198 1 4 . 1 1 25 25 THR N N 25 115.612 115.612 112.662 2.950 18733 1199 1 4 . 1 1 25 25 THR HA H 25 4.193 4.193 4.466 -0.273 18733 1200 1 4 . 1 1 25 25 THR CA C 25 63.026 63.026 62.525 0.501 18733 1201 1 4 . 1 1 25 25 THR CB C 25 69.388 69.388 69.221 0.167 18733 1202 1 4 . 1 1 26 26 GLU N N 26 119.600 119.600 121.260 -1.660 18733 1203 1 4 . 1 1 26 26 GLU HA H 26 4.213 4.213 4.374 -0.161 18733 1204 1 4 . 1 1 26 26 GLU CA C 26 56.803 56.803 57.074 -0.271 18733 1205 1 4 . 1 1 26 26 GLU CB C 26 29.566 29.566 29.395 0.171 18733 1206 1 4 . 1 1 27 27 ILE N N 27 118.383 118.383 119.639 -1.256 18733 1207 1 4 . 1 1 27 27 ILE HA H 27 4.320 4.320 4.394 -0.074 18733 1208 1 4 . 1 1 27 27 ILE CA C 27 59.638 59.638 58.911 0.727 18733 1209 1 4 . 1 1 27 27 ILE CB C 27 39.531 39.531 40.228 -0.697 18733 1210 1 4 . 1 1 28 28 GLN N N 28 122.321 122.321 118.656 3.665 18733 1211 1 4 . 1 1 28 28 GLN HA H 28 4.593 4.593 4.708 -0.115 18733 1212 1 4 . 1 1 28 28 GLN CA C 28 54.684 54.684 54.550 0.134 18733 1213 1 4 . 1 1 28 28 GLN CB C 28 30.183 30.183 31.212 -1.029 18733 1214 1 4 . 1 1 29 29 THR N N 29 119.517 119.517 115.937 3.580 18733 1215 1 4 . 1 1 29 29 THR HA H 29 3.916 3.916 4.014 -0.098 18733 1216 1 4 . 1 1 29 29 THR CA C 29 65.895 65.895 66.332 -0.437 18733 1217 1 4 . 1 1 29 29 THR CB C 29 68.708 68.708 68.705 0.003 18733 1218 1 4 . 1 1 30 30 GLY N N 30 109.285 109.285 109.015 0.270 18733 1219 1 4 . 1 1 30 30 GLY CA C 30 47.126 47.126 46.818 0.308 18733 1220 1 4 . 1 1 31 31 GLU N N 31 120.940 120.940 122.057 -1.117 18733 1221 1 4 . 1 1 31 31 GLU HA H 31 4.259 4.259 4.144 0.115 18733 1222 1 4 . 1 1 31 31 GLU CA C 31 59.424 59.424 58.791 0.633 18733 1223 1 4 . 1 1 31 31 GLU CB C 31 29.410 29.410 28.922 0.489 18733 1224 1 4 . 1 1 32 32 VAL N N 32 122.718 122.718 120.550 2.168 18733 1225 1 4 . 1 1 32 32 VAL HA H 32 3.568 3.568 3.720 -0.152 18733 1226 1 4 . 1 1 32 32 VAL CA C 32 66.122 66.122 66.305 -0.183 18733 1227 1 4 . 1 1 32 32 VAL CB C 32 31.157 31.157 31.534 -0.377 18733 1228 1 4 . 1 1 33 33 SER N N 33 114.886 114.886 115.024 -0.138 18733 1229 1 4 . 1 1 33 33 SER HA H 33 4.112 4.112 4.136 -0.024 18733 1230 1 4 . 1 1 33 33 SER CA C 33 62.119 62.119 61.770 0.348 18733 1231 1 4 . 1 1 33 33 SER CB C 33 63.293 63.293 63.120 0.173 18733 1232 1 4 . 1 1 34 34 ALA N N 34 121.240 121.240 122.943 -1.703 18733 1233 1 4 . 1 1 34 34 ALA HA H 34 4.505 4.505 4.209 0.296 18733 1234 1 4 . 1 1 34 34 ALA CA C 34 55.790 55.790 55.050 0.740 18733 1235 1 4 . 1 1 34 34 ALA CB C 34 18.845 18.845 18.234 0.611 18733 1236 1 4 . 1 1 35 35 SER N N 35 111.131 111.131 115.319 -4.188 18733 1237 1 4 . 1 1 35 35 SER HA H 35 3.420 3.420 4.300 -0.880 18733 1238 1 4 . 1 1 35 35 SER CA C 35 61.316 61.316 62.111 -0.795 18733 1239 1 4 . 1 1 35 35 SER CB C 35 62.547 62.547 62.981 -0.434 18733 1240 1 4 . 1 1 36 36 PHE N N 36 127.676 127.676 123.156 4.520 18733 1241 1 4 . 1 1 36 36 PHE HA H 36 4.490 4.490 4.264 0.226 18733 1242 1 4 . 1 1 36 36 PHE CA C 36 57.592 57.592 61.330 -3.738 18733 1243 1 4 . 1 1 36 36 PHE CB C 36 38.111 38.111 39.291 -1.180 18733 1244 1 4 . 1 1 37 37 MET N N 37 119.851 119.851 120.028 -0.177 18733 1245 1 4 . 1 1 37 37 MET HA H 37 3.859 3.859 4.114 -0.255 18733 1246 1 4 . 1 1 37 37 MET CA C 37 59.444 59.444 59.611 -0.167 18733 1247 1 4 . 1 1 37 37 MET CB C 37 33.517 33.517 32.808 0.709 18733 1248 1 4 . 1 1 38 38 TRP N N 38 121.153 121.153 121.063 0.090 18733 1249 1 4 . 1 1 38 38 TRP HA H 38 3.981 3.981 4.258 -0.277 18733 1250 1 4 . 1 1 38 38 TRP CA C 38 62.129 62.129 60.594 1.534 18733 1251 1 4 . 1 1 38 38 TRP CB C 38 29.930 29.930 29.727 0.203 18733 1252 1 4 . 1 1 39 39 ALA N N 39 119.518 119.518 122.066 -2.548 18733 1253 1 4 . 1 1 39 39 ALA HA H 39 3.880 3.880 3.976 -0.096 18733 1254 1 4 . 1 1 39 39 ALA CA C 39 55.231 55.231 54.941 0.289 18733 1255 1 4 . 1 1 39 39 ALA CB C 39 20.477 20.477 17.841 2.636 18733 1256 1 4 . 1 1 40 40 LEU N N 40 116.794 116.794 120.179 -3.385 18733 1257 1 4 . 1 1 40 40 LEU HA H 40 2.741 2.741 3.966 -1.225 18733 1258 1 4 . 1 1 40 40 LEU CA C 40 56.979 56.979 57.112 -0.133 18733 1259 1 4 . 1 1 40 40 LEU CB C 40 40.563 40.563 41.308 -0.745 18733 1260 1 4 . 1 1 41 41 ALA N N 41 120.249 120.249 121.342 -1.093 18733 1261 1 4 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.890 -0.227 18733 1262 1 4 . 1 1 41 41 ALA CA C 41 54.943 54.943 54.929 0.014 18733 1263 1 4 . 1 1 41 41 ALA CB C 41 17.512 17.512 17.995 -0.483 18733 1264 1 4 . 1 1 42 42 ARG N N 42 118.787 118.787 118.536 0.251 18733 1265 1 4 . 1 1 42 42 ARG HA H 42 3.315 3.315 3.936 -0.621 18733 1266 1 4 . 1 1 42 42 ARG CA C 42 60.027 60.027 58.870 1.157 18733 1267 1 4 . 1 1 42 42 ARG CB C 42 29.084 29.084 30.209 -1.125 18733 1268 1 4 . 1 1 43 43 TYR N N 43 122.429 122.429 120.331 2.098 18733 1269 1 4 . 1 1 43 43 TYR HA H 43 3.956 3.956 4.153 -0.197 18733 1270 1 4 . 1 1 43 43 TYR CA C 43 63.225 63.225 61.548 1.677 18733 1271 1 4 . 1 1 43 43 TYR CB C 43 39.819 39.819 38.693 1.126 18733 1272 1 4 . 1 1 44 44 ASN N N 44 116.736 116.736 116.639 0.097 18733 1273 1 4 . 1 1 44 44 ASN HA H 44 4.170 4.170 4.704 -0.534 18733 1274 1 4 . 1 1 44 44 ASN CA C 44 56.267 56.267 54.684 1.583 18733 1275 1 4 . 1 1 44 44 ASN CB C 44 37.894 37.894 38.484 -0.590 18733 1276 1 4 . 1 1 45 45 ALA N N 45 124.950 124.950 121.544 3.406 18733 1277 1 4 . 1 1 45 45 ALA HA H 45 3.862 3.862 4.311 -0.449 18733 1278 1 4 . 1 1 45 45 ALA CA C 45 55.465 55.465 54.013 1.452 18733 1279 1 4 . 1 1 45 45 ALA CB C 45 18.587 18.587 18.250 0.337 18733 1280 1 4 . 1 1 46 46 TRP N N 46 119.686 119.686 121.837 -2.151 18733 1281 1 4 . 1 1 46 46 TRP HA H 46 2.849 2.849 4.167 -1.318 18733 1282 1 4 . 1 1 46 46 TRP CA C 46 60.783 60.783 60.041 0.742 18733 1283 1 4 . 1 1 46 46 TRP CB C 46 26.470 26.470 28.598 -2.128 18733 1284 1 4 . 1 1 47 47 PHE N N 47 121.090 121.090 116.724 4.366 18733 1285 1 4 . 1 1 47 47 PHE HA H 47 2.939 2.939 3.953 -1.014 18733 1286 1 4 . 1 1 47 47 PHE CA C 47 59.116 59.116 59.973 -0.857 18733 1287 1 4 . 1 1 47 47 PHE CB C 47 38.212 38.212 38.293 -0.081 18733 1288 1 4 . 1 1 48 48 GLY N N 48 109.386 109.386 107.990 1.396 18733 1289 1 4 . 1 1 48 48 GLY CA C 48 47.209 47.209 46.925 0.284 18733 1290 1 4 . 1 1 49 49 SER N N 49 118.098 118.098 115.432 2.666 18733 1291 1 4 . 1 1 49 49 SER CA C 49 62.016 62.016 59.807 2.209 18733 1292 1 4 . 1 1 49 49 SER CB C 49 63.411 63.411 62.821 0.590 18733 1293 1 4 . 1 1 50 50 THR N N 50 110.801 110.801 114.605 -3.804 18733 1294 1 4 . 1 1 50 50 THR HA H 50 3.851 3.851 4.551 -0.700 18733 1295 1 4 . 1 1 50 50 THR CA C 50 63.914 63.914 61.620 2.294 18733 1296 1 4 . 1 1 50 50 THR CB C 50 69.676 69.676 68.973 0.703 18733 1297 1 4 . 1 1 51 51 SER N N 51 115.249 115.249 118.164 -2.915 18733 1298 1 4 . 1 1 51 51 SER HA H 51 3.990 3.990 4.312 -0.322 18733 1299 1 4 . 1 1 51 51 SER CA C 51 59.360 59.360 60.821 -1.461 18733 1300 1 4 . 1 1 51 51 SER CB C 51 63.142 63.142 63.881 -0.739 18733 1301 1 4 . 1 1 52 52 PHE N N 52 118.004 118.004 117.194 0.810 18733 1302 1 4 . 1 1 52 52 PHE HA H 52 4.861 4.861 4.693 0.168 18733 1303 1 4 . 1 1 52 52 PHE CA C 52 57.045 57.045 56.947 0.098 18733 1304 1 4 . 1 1 52 52 PHE CB C 52 42.165 42.165 42.115 0.050 18733 1305 1 4 . 1 1 53 53 GLU N N 53 119.224 119.224 118.527 0.697 18733 1306 1 4 . 1 1 53 53 GLU HA H 53 4.415 4.415 4.490 -0.075 18733 1307 1 4 . 1 1 53 53 GLU CA C 53 57.653 57.653 57.255 0.398 18733 1308 1 4 . 1 1 53 53 GLU CB C 53 31.679 31.679 30.322 1.357 18733 1309 1 4 . 1 1 54 54 THR N N 54 105.230 105.230 111.227 -5.997 18733 1310 1 4 . 1 1 54 54 THR HA H 54 4.529 4.529 4.547 -0.018 18733 1311 1 4 . 1 1 54 54 THR CA C 54 58.360 58.360 59.885 -1.525 18733 1312 1 4 . 1 1 54 54 THR CB C 54 73.366 73.366 72.350 1.016 18733 1313 1 4 . 1 1 55 55 LYS N N 55 122.509 122.509 122.300 0.209 18733 1314 1 4 . 1 1 55 55 LYS HA H 55 2.752 2.752 4.035 -1.283 18733 1315 1 4 . 1 1 55 55 LYS CA C 55 58.567 58.567 59.054 -0.487 18733 1316 1 4 . 1 1 55 55 LYS CB C 55 32.829 32.829 31.937 0.892 18733 1317 1 4 . 1 1 56 56 GLU N N 56 117.867 117.867 119.074 -1.207 18733 1318 1 4 . 1 1 56 56 GLU HA H 56 3.785 3.785 4.036 -0.251 18733 1319 1 4 . 1 1 56 56 GLU CA C 56 60.334 60.334 59.328 1.006 18733 1320 1 4 . 1 1 56 56 GLU CB C 56 28.185 28.185 29.199 -1.014 18733 1321 1 4 . 1 1 57 57 GLN N N 57 119.487 119.487 117.153 2.334 18733 1322 1 4 . 1 1 57 57 GLN HA H 57 3.788 3.788 3.949 -0.161 18733 1323 1 4 . 1 1 57 57 GLN CA C 57 58.056 58.056 57.175 0.881 18733 1324 1 4 . 1 1 57 57 GLN CB C 57 28.577 28.577 28.655 -0.078 18733 1325 1 4 . 1 1 58 58 MET N N 58 118.284 118.284 121.049 -2.765 18733 1326 1 4 . 1 1 58 58 MET HA H 58 2.029 2.029 4.151 -2.122 18733 1327 1 4 . 1 1 58 58 MET CA C 58 58.862 58.862 58.840 0.022 18733 1328 1 4 . 1 1 58 58 MET CB C 58 30.814 30.814 32.747 -1.933 18733 1329 1 4 . 1 1 59 59 GLN N N 59 116.663 116.663 119.334 -2.671 18733 1330 1 4 . 1 1 59 59 GLN HA H 59 3.578 3.578 4.098 -0.520 18733 1331 1 4 . 1 1 59 59 GLN CA C 59 59.361 59.361 58.773 0.588 18733 1332 1 4 . 1 1 59 59 GLN CB C 59 28.975 28.975 28.683 0.292 18733 1333 1 4 . 1 1 60 60 ALA N N 60 119.084 119.084 120.294 -1.210 18733 1334 1 4 . 1 1 60 60 ALA HA H 60 4.028 4.028 4.281 -0.253 18733 1335 1 4 . 1 1 60 60 ALA CA C 60 54.245 54.245 53.542 0.703 18733 1336 1 4 . 1 1 60 60 ALA CB C 60 18.161 18.161 18.282 -0.121 18733 1337 1 4 . 1 1 61 61 LYS N N 61 115.215 115.215 117.178 -1.963 18733 1338 1 4 . 1 1 61 61 LYS HA H 61 4.517 4.517 4.597 -0.080 18733 1339 1 4 . 1 1 61 61 LYS CA C 61 54.188 54.188 55.456 -1.268 18733 1340 1 4 . 1 1 61 61 LYS CB C 61 33.239 33.239 32.871 0.368 18733 1341 1 4 . 1 1 62 62 LYS N N 62 122.199 122.199 121.900 0.299 18733 1342 1 4 . 1 1 62 62 LYS HA H 62 3.582 3.582 3.916 -0.334 18733 1343 1 4 . 1 1 62 62 LYS CA C 62 61.271 61.271 60.590 0.681 18733 1344 1 4 . 1 1 62 62 LYS CB C 62 33.052 33.052 32.022 1.030 18733 1345 1 4 . 1 1 63 63 GLN N N 63 117.101 117.101 117.193 -0.092 18733 1346 1 4 . 1 1 63 63 GLN HA H 63 3.767 3.767 4.181 -0.414 18733 1347 1 4 . 1 1 63 63 GLN CA C 63 58.948 58.948 57.963 0.985 18733 1348 1 4 . 1 1 63 63 GLN CB C 63 27.823 27.823 27.775 0.048 18733 1349 1 4 . 1 1 64 64 GLU N N 64 119.459 119.459 119.564 -0.105 18733 1350 1 4 . 1 1 64 64 GLU HA H 64 4.035 4.035 4.163 -0.128 18733 1351 1 4 . 1 1 64 64 GLU CA C 64 59.672 59.672 58.779 0.893 18733 1352 1 4 . 1 1 64 64 GLU CB C 64 29.755 29.755 29.237 0.518 18733 1353 1 4 . 1 1 65 65 MET N N 65 118.493 118.493 116.952 1.541 18733 1354 1 4 . 1 1 65 65 MET HA H 65 4.077 4.077 4.252 -0.175 18733 1355 1 4 . 1 1 65 65 MET CA C 65 59.488 59.488 58.321 1.167 18733 1356 1 4 . 1 1 65 65 MET CB C 65 34.335 34.335 32.673 1.662 18733 1357 1 4 . 1 1 66 66 MET N N 66 117.848 117.848 117.630 0.218 18733 1358 1 4 . 1 1 66 66 MET HA H 66 4.127 4.127 4.251 -0.124 18733 1359 1 4 . 1 1 66 66 MET CA C 66 59.790 59.790 57.465 2.325 18733 1360 1 4 . 1 1 66 66 MET CB C 66 31.196 31.196 31.805 -0.609 18733 1361 1 4 . 1 1 67 67 ASP N N 67 118.987 118.987 121.004 -2.017 18733 1362 1 4 . 1 1 67 67 ASP HA H 67 4.283 4.283 4.439 -0.156 18733 1363 1 4 . 1 1 67 67 ASP CA C 67 57.892 57.892 57.095 0.797 18733 1364 1 4 . 1 1 67 67 ASP CB C 67 39.885 39.885 41.100 -1.215 18733 1365 1 4 . 1 1 68 68 TYR N N 68 119.790 119.790 117.865 1.925 18733 1366 1 4 . 1 1 68 68 TYR HA H 68 4.118 4.118 4.701 -0.583 18733 1367 1 4 . 1 1 68 68 TYR CA C 68 61.588 61.588 59.885 1.703 18733 1368 1 4 . 1 1 68 68 TYR CB C 68 37.806 37.806 39.666 -1.860 18733 1369 1 4 . 1 1 69 69 TYR N N 69 118.552 118.552 117.339 1.213 18733 1370 1 4 . 1 1 69 69 TYR HA H 69 4.057 4.057 4.175 -0.118 18733 1371 1 4 . 1 1 69 69 TYR CA C 69 62.536 62.536 59.786 2.750 18733 1372 1 4 . 1 1 69 69 TYR CB C 69 37.582 37.582 37.858 -0.276 18733 1373 1 4 . 1 1 70 70 MET N N 70 117.939 117.939 116.434 1.505 18733 1374 1 4 . 1 1 70 70 MET HA H 70 4.489 4.489 4.245 0.244 18733 1375 1 4 . 1 1 70 70 MET CA C 70 58.947 58.947 58.193 0.754 18733 1376 1 4 . 1 1 70 70 MET CB C 70 31.380 31.380 32.970 -1.590 18733 1377 1 4 . 1 1 71 71 ASP N N 71 120.118 120.118 117.985 2.133 18733 1378 1 4 . 1 1 71 71 ASP HA H 71 4.390 4.390 4.879 -0.489 18733 1379 1 4 . 1 1 71 71 ASP CA C 71 57.730 57.730 53.773 3.957 18733 1380 1 4 . 1 1 71 71 ASP CB C 71 40.050 40.050 40.422 -0.372 18733 1381 1 4 . 1 1 72 72 ARG N N 72 118.091 118.091 121.599 -3.508 18733 1382 1 4 . 1 1 72 72 ARG HA H 72 4.107 4.107 4.615 -0.508 18733 1383 1 4 . 1 1 72 72 ARG CA C 72 58.260 58.260 56.627 1.633 18733 1384 1 4 . 1 1 72 72 ARG CB C 72 31.091 31.091 32.907 -1.816 18733 1385 1 4 . 1 1 73 73 TYR N N 73 121.878 121.878 119.328 2.550 18733 1386 1 4 . 1 1 73 73 TYR HA H 73 4.178 4.178 4.661 -0.483 18733 1387 1 4 . 1 1 73 73 TYR CA C 73 61.440 61.440 55.637 5.803 18733 1388 1 4 . 1 1 73 73 TYR CB C 73 38.677 38.677 37.185 1.492 18733 1389 1 4 . 1 1 74 74 LYS N N 74 119.791 119.791 122.300 -2.509 18733 1390 1 4 . 1 1 74 74 LYS HA H 74 3.564 3.564 3.624 -0.060 18733 1391 1 4 . 1 1 74 74 LYS CA C 74 60.621 60.621 60.008 0.613 18733 1392 1 4 . 1 1 74 74 LYS CB C 74 32.225 32.225 32.012 0.213 18733 1393 1 4 . 1 1 75 75 GLU N N 75 116.140 116.140 117.387 -1.247 18733 1394 1 4 . 1 1 75 75 GLU HA H 75 4.004 4.004 4.046 -0.042 18733 1395 1 4 . 1 1 75 75 GLU CA C 75 59.293 59.293 58.702 0.591 18733 1396 1 4 . 1 1 75 75 GLU CB C 75 29.627 29.627 28.687 0.940 18733 1397 1 4 . 1 1 76 76 MET N N 76 119.200 119.200 119.253 -0.053 18733 1398 1 4 . 1 1 76 76 MET HA H 76 4.250 4.250 4.104 0.146 18733 1399 1 4 . 1 1 76 76 MET CA C 76 60.058 60.058 58.614 1.444 18733 1400 1 4 . 1 1 76 76 MET CB C 76 32.751 32.751 32.604 0.147 18733 1401 1 4 . 1 1 77 77 LEU N N 77 125.191 125.191 120.003 5.188 18733 1402 1 4 . 1 1 77 77 LEU HA H 77 3.703 3.703 3.843 -0.140 18733 1403 1 4 . 1 1 77 77 LEU CA C 77 58.589 58.589 57.816 0.773 18733 1404 1 4 . 1 1 77 77 LEU CB C 77 41.650 41.650 41.269 0.381 18733 1405 1 4 . 1 1 78 78 ASP N N 78 119.843 119.843 118.948 0.895 18733 1406 1 4 . 1 1 78 78 ASP HA H 78 4.177 4.177 4.205 -0.028 18733 1407 1 4 . 1 1 78 78 ASP CA C 78 58.584 58.584 57.547 1.036 18733 1408 1 4 . 1 1 78 78 ASP CB C 78 42.352 42.352 41.232 1.120 18733 1409 1 4 . 1 1 79 79 ALA N N 79 117.168 117.168 119.418 -2.250 18733 1410 1 4 . 1 1 79 79 ALA HA H 79 4.077 4.077 4.070 0.007 18733 1411 1 4 . 1 1 79 79 ALA CA C 79 55.317 55.317 54.139 1.178 18733 1412 1 4 . 1 1 79 79 ALA CB C 79 18.335 18.335 18.594 -0.259 18733 1413 1 4 . 1 1 80 80 ASN N N 80 115.882 115.882 114.055 1.827 18733 1414 1 4 . 1 1 80 80 ASN HA H 80 4.416 4.416 4.636 -0.220 18733 1415 1 4 . 1 1 80 80 ASN CA C 80 57.791 57.791 54.313 3.478 18733 1416 1 4 . 1 1 80 80 ASN CB C 80 40.251 40.251 39.205 1.046 18733 1417 1 4 . 1 1 81 81 MET N N 81 120.945 120.945 118.207 2.738 18733 1418 1 4 . 1 1 81 81 MET HA H 81 4.129 4.129 4.477 -0.348 18733 1419 1 4 . 1 1 81 81 MET CA C 81 58.954 58.954 58.582 0.372 18733 1420 1 4 . 1 1 81 81 MET CB C 81 31.937 31.937 34.663 -2.726 18733 1421 1 4 . 1 1 82 82 GLU N N 82 116.578 116.578 119.393 -2.815 18733 1422 1 4 . 1 1 82 82 GLU HA H 82 3.979 3.979 4.028 -0.049 18733 1423 1 4 . 1 1 82 82 GLU CA C 82 59.214 59.214 59.573 -0.359 18733 1424 1 4 . 1 1 82 82 GLU CB C 82 29.207 29.207 29.004 0.203 18733 1425 1 4 . 1 1 83 83 ASP N N 83 119.199 119.199 119.783 -0.584 18733 1426 1 4 . 1 1 83 83 ASP HA H 83 4.399 4.399 4.634 -0.235 18733 1427 1 4 . 1 1 83 83 ASP CA C 83 57.554 57.554 56.701 0.853 18733 1428 1 4 . 1 1 83 83 ASP CB C 83 42.088 42.088 40.486 1.602 18733 1429 1 4 . 1 1 84 84 TYR N N 84 117.904 117.904 119.919 -2.015 18733 1430 1 4 . 1 1 84 84 TYR HA H 84 3.931 3.931 4.544 -0.613 18733 1431 1 4 . 1 1 84 84 TYR CA C 84 63.663 63.663 58.632 5.031 18733 1432 1 4 . 1 1 84 84 TYR CB C 84 39.134 39.134 38.235 0.899 18733 1433 1 4 . 1 1 85 85 ILE N N 85 116.362 116.362 118.224 -1.862 18733 1434 1 4 . 1 1 85 85 ILE HA H 85 3.752 3.752 3.691 0.061 18733 1435 1 4 . 1 1 85 85 ILE CA C 85 66.287 66.287 64.867 1.420 18733 1436 1 4 . 1 1 85 85 ILE CB C 85 38.815 38.815 38.102 0.712 18733 1437 1 4 . 1 1 86 86 GLU N N 86 117.696 117.696 118.813 -1.117 18733 1438 1 4 . 1 1 86 86 GLU HA H 86 3.896 3.896 4.079 -0.183 18733 1439 1 4 . 1 1 86 86 GLU CA C 86 59.290 59.290 59.293 -0.003 18733 1440 1 4 . 1 1 86 86 GLU CB C 86 29.660 29.660 29.200 0.460 18733 1441 1 4 . 1 1 87 87 ASN N N 87 113.943 113.943 117.759 -3.816 18733 1442 1 4 . 1 1 87 87 ASN HA H 87 4.933 4.933 4.886 0.047 18733 1443 1 4 . 1 1 87 87 ASN CA C 87 52.462 52.462 53.328 -0.866 18733 1444 1 4 . 1 1 87 87 ASN CB C 87 38.847 38.847 38.892 -0.045 18733 1445 1 4 . 1 1 88 88 PHE N N 88 123.733 123.733 122.900 0.833 18733 1446 1 4 . 1 1 88 88 PHE HA H 88 4.141 4.141 4.258 -0.117 18733 1447 1 4 . 1 1 88 88 PHE CA C 88 63.888 63.888 62.641 1.247 18733 1448 1 4 . 1 1 88 88 PHE CB C 88 41.768 41.768 39.085 2.683 18733 1449 1 4 . 1 1 89 89 ASP N N 89 117.257 117.257 117.484 -0.227 18733 1450 1 4 . 1 1 89 89 ASP HA H 89 4.386 4.386 3.929 0.457 18733 1451 1 4 . 1 1 89 89 ASP CA C 89 57.468 57.468 57.521 -0.053 18733 1452 1 4 . 1 1 89 89 ASP CB C 89 39.886 39.886 40.299 -0.413 18733 1453 1 4 . 1 1 90 90 HIS N N 90 121.385 121.385 117.675 3.710 18733 1454 1 4 . 1 1 90 90 HIS HA H 90 4.294 4.294 4.230 0.064 18733 1455 1 4 . 1 1 90 90 HIS CA C 90 59.081 59.081 58.946 0.135 18733 1456 1 4 . 1 1 90 90 HIS CB C 90 29.949 29.949 30.074 -0.125 18733 1457 1 4 . 1 1 91 91 TYR N N 91 118.440 118.440 118.961 -0.521 18733 1458 1 4 . 1 1 91 91 TYR HA H 91 4.192 4.192 4.535 -0.343 18733 1459 1 4 . 1 1 91 91 TYR CA C 91 59.618 59.618 60.969 -1.351 18733 1460 1 4 . 1 1 91 91 TYR CB C 91 36.860 36.860 38.172 -1.312 18733 1461 1 4 . 1 1 92 92 ARG N N 92 119.028 119.028 119.355 -0.327 18733 1462 1 4 . 1 1 92 92 ARG HA H 92 4.023 4.023 4.040 -0.017 18733 1463 1 4 . 1 1 92 92 ARG CA C 92 57.308 57.308 56.252 1.056 18733 1464 1 4 . 1 1 92 92 ARG CB C 92 29.129 29.129 29.100 0.029 18733 1465 1 4 . 1 1 93 93 ALA N N 93 120.513 120.513 120.004 0.509 18733 1466 1 4 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.344 -0.133 18733 1467 1 4 . 1 1 93 93 ALA CA C 93 53.603 53.603 53.621 -0.018 18733 1468 1 4 . 1 1 93 93 ALA CB C 93 18.864 18.864 19.178 -0.314 18733 1469 1 4 . 1 1 94 94 THR N N 94 108.668 108.668 111.317 -2.649 18733 1470 1 4 . 1 1 94 94 THR HA H 94 4.249 4.249 4.182 0.067 18733 1471 1 4 . 1 1 94 94 THR CA C 94 62.170 62.170 62.479 -0.309 18733 1472 1 4 . 1 1 94 94 THR CB C 94 70.164 70.164 69.432 0.732 18733 1473 1 4 . 1 1 95 95 GLN N N 95 122.873 122.873 120.748 2.125 18733 1474 1 4 . 1 1 95 95 GLN HA H 95 4.288 4.288 4.753 -0.465 18733 1475 1 4 . 1 1 95 95 GLN CA C 95 56.073 56.073 54.633 1.440 18733 1476 1 4 . 1 1 95 95 GLN CB C 95 28.903 28.903 31.493 -2.590 18733 1477 1 5 . 1 1 2 2 ASN HA H 2 4.590 4.590 4.733 -0.143 18733 1478 1 5 . 1 1 2 2 ASN CA C 2 53.554 53.554 52.897 0.657 18733 1479 1 5 . 1 1 2 2 ASN CB C 2 38.650 38.650 39.107 -0.457 18733 1480 1 5 . 1 1 3 3 ASN HA H 3 4.526 4.526 4.875 -0.349 18733 1481 1 5 . 1 1 3 3 ASN CA C 3 53.720 53.720 53.209 0.512 18733 1482 1 5 . 1 1 3 3 ASN CB C 3 38.473 38.473 39.581 -1.107 18733 1483 1 5 . 1 1 4 4 GLU N N 4 121.638 121.638 123.082 -1.444 18733 1484 1 5 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.184 -0.098 18733 1485 1 5 . 1 1 4 4 GLU CA C 4 57.656 57.656 58.767 -1.111 18733 1486 1 5 . 1 1 4 4 GLU CB C 4 29.649 29.649 29.921 -0.272 18733 1487 1 5 . 1 1 5 5 ASN N N 5 118.543 118.543 117.327 1.216 18733 1488 1 5 . 1 1 5 5 ASN HA H 5 4.531 4.531 4.633 -0.102 18733 1489 1 5 . 1 1 5 5 ASN CA C 5 55.114 55.114 53.409 1.705 18733 1490 1 5 . 1 1 5 5 ASN CB C 5 38.417 38.417 39.174 -0.757 18733 1491 1 5 . 1 1 6 6 ALA N N 6 123.531 123.531 122.593 0.938 18733 1492 1 5 . 1 1 6 6 ALA HA H 6 4.057 4.057 4.031 0.026 18733 1493 1 5 . 1 1 6 6 ALA CA C 6 55.266 55.266 50.745 4.521 18733 1494 1 5 . 1 1 6 6 ALA CB C 6 18.099 18.099 19.087 -0.988 18733 1495 1 5 . 1 1 7 7 PHE N N 7 119.588 119.588 119.312 0.276 18733 1496 1 5 . 1 1 7 7 PHE HA H 7 3.777 3.777 4.678 -0.901 18733 1497 1 5 . 1 1 7 7 PHE CA C 7 61.179 61.179 54.204 6.975 18733 1498 1 5 . 1 1 7 7 PHE CB C 7 38.947 38.947 35.925 3.022 18733 1499 1 5 . 1 1 8 8 TYR N N 8 116.300 116.300 123.035 -6.735 18733 1500 1 5 . 1 1 8 8 TYR HA H 8 4.007 4.007 4.120 -0.113 18733 1501 1 5 . 1 1 8 8 TYR CA C 8 61.117 61.117 62.715 -1.598 18733 1502 1 5 . 1 1 8 8 TYR CB C 8 37.370 37.370 36.955 0.415 18733 1503 1 5 . 1 1 9 9 ALA N N 9 124.516 124.516 118.338 6.178 18733 1504 1 5 . 1 1 9 9 ALA HA H 9 4.074 4.074 4.268 -0.194 18733 1505 1 5 . 1 1 9 9 ALA CA C 9 55.415 55.415 53.667 1.748 18733 1506 1 5 . 1 1 9 9 ALA CB C 9 17.797 17.797 18.148 -0.351 18733 1507 1 5 . 1 1 10 10 ARG N N 10 118.255 118.255 118.621 -0.366 18733 1508 1 5 . 1 1 10 10 ARG HA H 10 3.857 3.857 4.298 -0.441 18733 1509 1 5 . 1 1 10 10 ARG CA C 10 60.070 60.070 57.965 2.105 18733 1510 1 5 . 1 1 10 10 ARG CB C 10 31.179 31.179 31.059 0.120 18733 1511 1 5 . 1 1 11 11 ALA N N 11 119.258 119.258 122.818 -3.560 18733 1512 1 5 . 1 1 11 11 ALA HA H 11 4.079 4.079 4.033 0.046 18733 1513 1 5 . 1 1 11 11 ALA CA C 11 55.152 55.152 55.085 0.067 18733 1514 1 5 . 1 1 11 11 ALA CB C 11 19.072 19.072 17.940 1.132 18733 1515 1 5 . 1 1 12 12 THR N N 12 114.669 114.669 112.695 1.974 18733 1516 1 5 . 1 1 12 12 THR HA H 12 3.761 3.761 4.016 -0.255 18733 1517 1 5 . 1 1 12 12 THR CA C 12 67.028 67.028 66.028 1.000 18733 1518 1 5 . 1 1 12 12 THR CB C 12 68.661 68.661 68.649 0.012 18733 1519 1 5 . 1 1 13 13 GLU N N 13 120.838 120.838 120.605 0.233 18733 1520 1 5 . 1 1 13 13 GLU HA H 13 3.782 3.782 4.208 -0.426 18733 1521 1 5 . 1 1 13 13 GLU CA C 13 59.781 59.781 58.804 0.977 18733 1522 1 5 . 1 1 13 13 GLU CB C 13 29.713 29.713 29.523 0.190 18733 1523 1 5 . 1 1 14 14 LEU N N 14 119.831 119.831 121.175 -1.344 18733 1524 1 5 . 1 1 14 14 LEU HA H 14 3.616 3.616 4.195 -0.579 18733 1525 1 5 . 1 1 14 14 LEU CA C 14 58.363 58.363 57.819 0.544 18733 1526 1 5 . 1 1 14 14 LEU CB C 14 42.109 42.109 41.357 0.752 18733 1527 1 5 . 1 1 15 15 ILE N N 15 119.150 119.150 118.064 1.086 18733 1528 1 5 . 1 1 15 15 ILE HA H 15 3.376 3.376 3.427 -0.051 18733 1529 1 5 . 1 1 15 15 ILE CA C 15 66.274 66.274 65.249 1.025 18733 1530 1 5 . 1 1 15 15 ILE CB C 15 38.343 38.343 37.315 1.028 18733 1531 1 5 . 1 1 16 16 LYS N N 16 118.734 118.734 120.375 -1.641 18733 1532 1 5 . 1 1 16 16 LYS HA H 16 3.808 3.808 3.993 -0.185 18733 1533 1 5 . 1 1 16 16 LYS CA C 16 59.950 59.950 59.322 0.628 18733 1534 1 5 . 1 1 16 16 LYS CB C 16 32.109 32.109 32.157 -0.048 18733 1535 1 5 . 1 1 17 17 LEU N N 17 121.376 121.376 120.089 1.287 18733 1536 1 5 . 1 1 17 17 LEU HA H 17 4.017 4.017 4.134 -0.117 18733 1537 1 5 . 1 1 17 17 LEU CA C 17 57.733 57.733 57.776 -0.043 18733 1538 1 5 . 1 1 17 17 LEU CB C 17 40.385 40.385 41.154 -0.769 18733 1539 1 5 . 1 1 18 18 ALA N N 18 123.298 123.298 121.145 2.153 18733 1540 1 5 . 1 1 18 18 ALA HA H 18 3.547 3.547 3.982 -0.435 18733 1541 1 5 . 1 1 18 18 ALA CA C 18 55.031 55.031 54.985 0.046 18733 1542 1 5 . 1 1 18 18 ALA CB C 18 17.716 17.716 18.291 -0.575 18733 1543 1 5 . 1 1 19 19 ASN N N 19 114.581 114.581 114.965 -0.384 18733 1544 1 5 . 1 1 19 19 ASN HA H 19 4.504 4.504 4.420 0.084 18733 1545 1 5 . 1 1 19 19 ASN CA C 19 55.633 55.633 56.030 -0.397 18733 1546 1 5 . 1 1 19 19 ASN CB C 19 37.683 37.683 38.523 -0.840 18733 1547 1 5 . 1 1 20 20 GLN N N 20 122.054 122.054 117.915 4.139 18733 1548 1 5 . 1 1 20 20 GLN HA H 20 3.959 3.959 4.246 -0.287 18733 1549 1 5 . 1 1 20 20 GLN CA C 20 58.913 58.913 58.084 0.829 18733 1550 1 5 . 1 1 20 20 GLN CB C 20 28.293 28.293 28.884 -0.592 18733 1551 1 5 . 1 1 21 21 GLN N N 21 120.962 120.962 118.911 2.051 18733 1552 1 5 . 1 1 21 21 GLN HA H 21 3.863 3.863 4.129 -0.266 18733 1553 1 5 . 1 1 21 21 GLN CA C 21 58.371 58.371 58.053 0.318 18733 1554 1 5 . 1 1 21 21 GLN CB C 21 27.603 27.603 28.589 -0.986 18733 1555 1 5 . 1 1 22 22 ASN N N 22 114.486 114.486 116.701 -2.215 18733 1556 1 5 . 1 1 22 22 ASN HA H 22 4.550 4.550 4.608 -0.058 18733 1557 1 5 . 1 1 22 22 ASN CA C 22 53.545 53.545 53.522 0.023 18733 1558 1 5 . 1 1 22 22 ASN CB C 22 39.752 39.752 38.636 1.116 18733 1559 1 5 . 1 1 23 23 GLN N N 23 117.002 117.002 117.336 -0.334 18733 1560 1 5 . 1 1 23 23 GLN HA H 23 4.121 4.121 4.312 -0.191 18733 1561 1 5 . 1 1 23 23 GLN CA C 23 56.336 56.336 55.948 0.388 18733 1562 1 5 . 1 1 23 23 GLN CB C 23 28.367 28.367 28.552 -0.185 18733 1563 1 5 . 1 1 24 24 ASN N N 24 117.868 117.868 118.142 -0.274 18733 1564 1 5 . 1 1 24 24 ASN HA H 24 4.554 4.554 4.852 -0.298 18733 1565 1 5 . 1 1 24 24 ASN CA C 24 53.550 53.550 52.846 0.704 18733 1566 1 5 . 1 1 24 24 ASN CB C 24 38.856 38.856 40.410 -1.554 18733 1567 1 5 . 1 1 25 25 THR N N 25 115.612 115.612 114.526 1.086 18733 1568 1 5 . 1 1 25 25 THR HA H 25 4.193 4.193 4.398 -0.205 18733 1569 1 5 . 1 1 25 25 THR CA C 25 63.026 63.026 62.794 0.232 18733 1570 1 5 . 1 1 25 25 THR CB C 25 69.388 69.388 69.245 0.143 18733 1571 1 5 . 1 1 26 26 GLU N N 26 119.600 119.600 120.253 -0.653 18733 1572 1 5 . 1 1 26 26 GLU HA H 26 4.213 4.213 4.309 -0.096 18733 1573 1 5 . 1 1 26 26 GLU CA C 26 56.803 56.803 56.702 0.101 18733 1574 1 5 . 1 1 26 26 GLU CB C 26 29.566 29.566 29.445 0.121 18733 1575 1 5 . 1 1 27 27 ILE N N 27 118.383 118.383 120.860 -2.477 18733 1576 1 5 . 1 1 27 27 ILE HA H 27 4.320 4.320 4.240 0.080 18733 1577 1 5 . 1 1 27 27 ILE CA C 27 59.638 59.638 60.247 -0.609 18733 1578 1 5 . 1 1 27 27 ILE CB C 27 39.531 39.531 39.255 0.276 18733 1579 1 5 . 1 1 28 28 GLN N N 28 122.321 122.321 125.179 -2.858 18733 1580 1 5 . 1 1 28 28 GLN HA H 28 4.593 4.593 4.407 0.186 18733 1581 1 5 . 1 1 28 28 GLN CA C 28 54.684 54.684 55.935 -1.251 18733 1582 1 5 . 1 1 28 28 GLN CB C 28 30.183 30.183 29.666 0.517 18733 1583 1 5 . 1 1 29 29 THR N N 29 119.517 119.517 119.493 0.024 18733 1584 1 5 . 1 1 29 29 THR HA H 29 3.916 3.916 4.055 -0.139 18733 1585 1 5 . 1 1 29 29 THR CA C 29 65.895 65.895 66.355 -0.460 18733 1586 1 5 . 1 1 29 29 THR CB C 29 68.708 68.708 68.582 0.126 18733 1587 1 5 . 1 1 30 30 GLY N N 30 109.285 109.285 108.817 0.468 18733 1588 1 5 . 1 1 30 30 GLY CA C 30 47.126 47.126 45.623 1.503 18733 1589 1 5 . 1 1 31 31 GLU N N 31 120.940 120.940 121.968 -1.028 18733 1590 1 5 . 1 1 31 31 GLU HA H 31 4.259 4.259 4.082 0.177 18733 1591 1 5 . 1 1 31 31 GLU CA C 31 59.424 59.424 59.065 0.359 18733 1592 1 5 . 1 1 31 31 GLU CB C 31 29.410 29.410 29.714 -0.304 18733 1593 1 5 . 1 1 32 32 VAL N N 32 122.718 122.718 118.318 4.400 18733 1594 1 5 . 1 1 32 32 VAL HA H 32 3.568 3.568 3.928 -0.360 18733 1595 1 5 . 1 1 32 32 VAL CA C 32 66.122 66.122 64.970 1.152 18733 1596 1 5 . 1 1 32 32 VAL CB C 32 31.157 31.157 31.931 -0.774 18733 1597 1 5 . 1 1 33 33 SER N N 33 114.886 114.886 117.100 -2.214 18733 1598 1 5 . 1 1 33 33 SER HA H 33 4.112 4.112 4.169 -0.057 18733 1599 1 5 . 1 1 33 33 SER CA C 33 62.119 62.119 62.069 0.050 18733 1600 1 5 . 1 1 33 33 SER CB C 33 63.293 63.293 62.955 0.338 18733 1601 1 5 . 1 1 34 34 ALA N N 34 121.240 121.240 124.074 -2.834 18733 1602 1 5 . 1 1 34 34 ALA HA H 34 4.505 4.505 4.190 0.315 18733 1603 1 5 . 1 1 34 34 ALA CA C 34 55.790 55.790 55.029 0.761 18733 1604 1 5 . 1 1 34 34 ALA CB C 34 18.845 18.845 18.441 0.404 18733 1605 1 5 . 1 1 35 35 SER N N 35 111.131 111.131 115.276 -4.145 18733 1606 1 5 . 1 1 35 35 SER HA H 35 3.420 3.420 4.315 -0.895 18733 1607 1 5 . 1 1 35 35 SER CA C 35 61.316 61.316 61.330 -0.014 18733 1608 1 5 . 1 1 35 35 SER CB C 35 62.547 62.547 62.947 -0.400 18733 1609 1 5 . 1 1 36 36 PHE N N 36 127.676 127.676 124.006 3.670 18733 1610 1 5 . 1 1 36 36 PHE HA H 36 4.490 4.490 4.308 0.182 18733 1611 1 5 . 1 1 36 36 PHE CA C 36 57.592 57.592 61.485 -3.893 18733 1612 1 5 . 1 1 36 36 PHE CB C 36 38.111 38.111 39.457 -1.346 18733 1613 1 5 . 1 1 37 37 MET N N 37 119.851 119.851 119.807 0.044 18733 1614 1 5 . 1 1 37 37 MET HA H 37 3.859 3.859 4.125 -0.266 18733 1615 1 5 . 1 1 37 37 MET CA C 37 59.444 59.444 59.391 0.053 18733 1616 1 5 . 1 1 37 37 MET CB C 37 33.517 33.517 32.947 0.570 18733 1617 1 5 . 1 1 38 38 TRP N N 38 121.153 121.153 120.935 0.218 18733 1618 1 5 . 1 1 38 38 TRP HA H 38 3.981 3.981 4.158 -0.177 18733 1619 1 5 . 1 1 38 38 TRP CA C 38 62.129 62.129 60.917 1.212 18733 1620 1 5 . 1 1 38 38 TRP CB C 38 29.930 29.930 29.550 0.380 18733 1621 1 5 . 1 1 39 39 ALA N N 39 119.518 119.518 121.297 -1.779 18733 1622 1 5 . 1 1 39 39 ALA HA H 39 3.880 3.880 3.985 -0.105 18733 1623 1 5 . 1 1 39 39 ALA CA C 39 55.231 55.231 54.706 0.525 18733 1624 1 5 . 1 1 39 39 ALA CB C 39 20.477 20.477 17.924 2.553 18733 1625 1 5 . 1 1 40 40 LEU N N 40 116.794 116.794 119.882 -3.088 18733 1626 1 5 . 1 1 40 40 LEU HA H 40 2.741 2.741 3.891 -1.150 18733 1627 1 5 . 1 1 40 40 LEU CA C 40 56.979 56.979 57.021 -0.042 18733 1628 1 5 . 1 1 40 40 LEU CB C 40 40.563 40.563 41.361 -0.798 18733 1629 1 5 . 1 1 41 41 ALA N N 41 120.249 120.249 122.005 -1.756 18733 1630 1 5 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.896 -0.233 18733 1631 1 5 . 1 1 41 41 ALA CA C 41 54.943 54.943 55.185 -0.242 18733 1632 1 5 . 1 1 41 41 ALA CB C 41 17.512 17.512 17.998 -0.486 18733 1633 1 5 . 1 1 42 42 ARG N N 42 118.787 118.787 117.072 1.715 18733 1634 1 5 . 1 1 42 42 ARG HA H 42 3.315 3.315 3.912 -0.597 18733 1635 1 5 . 1 1 42 42 ARG CA C 42 60.027 60.027 58.500 1.527 18733 1636 1 5 . 1 1 42 42 ARG CB C 42 29.084 29.084 30.142 -1.058 18733 1637 1 5 . 1 1 43 43 TYR N N 43 122.429 122.429 120.163 2.266 18733 1638 1 5 . 1 1 43 43 TYR HA H 43 3.956 3.956 4.333 -0.377 18733 1639 1 5 . 1 1 43 43 TYR CA C 43 63.225 63.225 61.245 1.980 18733 1640 1 5 . 1 1 43 43 TYR CB C 43 39.819 39.819 39.241 0.578 18733 1641 1 5 . 1 1 44 44 ASN N N 44 116.736 116.736 118.132 -1.396 18733 1642 1 5 . 1 1 44 44 ASN HA H 44 4.170 4.170 4.592 -0.422 18733 1643 1 5 . 1 1 44 44 ASN CA C 44 56.267 56.267 55.495 0.772 18733 1644 1 5 . 1 1 44 44 ASN CB C 44 37.894 37.894 38.035 -0.141 18733 1645 1 5 . 1 1 45 45 ALA N N 45 124.950 124.950 122.202 2.748 18733 1646 1 5 . 1 1 45 45 ALA HA H 45 3.862 3.862 4.267 -0.405 18733 1647 1 5 . 1 1 45 45 ALA CA C 45 55.465 55.465 54.070 1.395 18733 1648 1 5 . 1 1 45 45 ALA CB C 45 18.587 18.587 18.056 0.531 18733 1649 1 5 . 1 1 46 46 TRP N N 46 119.686 119.686 121.743 -2.057 18733 1650 1 5 . 1 1 46 46 TRP HA H 46 2.849 2.849 4.188 -1.339 18733 1651 1 5 . 1 1 46 46 TRP CA C 46 60.783 60.783 60.615 0.168 18733 1652 1 5 . 1 1 46 46 TRP CB C 46 26.470 26.470 28.902 -2.433 18733 1653 1 5 . 1 1 47 47 PHE N N 47 121.090 121.090 117.809 3.281 18733 1654 1 5 . 1 1 47 47 PHE HA H 47 2.939 2.939 4.332 -1.393 18733 1655 1 5 . 1 1 47 47 PHE CA C 47 59.116 59.116 59.785 -0.668 18733 1656 1 5 . 1 1 47 47 PHE CB C 47 38.212 38.212 38.422 -0.210 18733 1657 1 5 . 1 1 48 48 GLY N N 48 109.386 109.386 107.327 2.059 18733 1658 1 5 . 1 1 48 48 GLY CA C 48 47.209 47.209 47.033 0.176 18733 1659 1 5 . 1 1 49 49 SER N N 49 118.098 118.098 113.914 4.184 18733 1660 1 5 . 1 1 49 49 SER CA C 49 62.016 62.016 59.559 2.457 18733 1661 1 5 . 1 1 49 49 SER CB C 49 63.411 63.411 63.466 -0.055 18733 1662 1 5 . 1 1 50 50 THR N N 50 110.801 110.801 109.434 1.367 18733 1663 1 5 . 1 1 50 50 THR HA H 50 3.851 3.851 4.274 -0.423 18733 1664 1 5 . 1 1 50 50 THR CA C 50 63.914 63.914 61.957 1.957 18733 1665 1 5 . 1 1 50 50 THR CB C 50 69.676 69.676 69.621 0.055 18733 1666 1 5 . 1 1 51 51 SER N N 51 115.249 115.249 117.603 -2.354 18733 1667 1 5 . 1 1 51 51 SER HA H 51 3.990 3.990 4.234 -0.244 18733 1668 1 5 . 1 1 51 51 SER CA C 51 59.360 59.360 60.612 -1.252 18733 1669 1 5 . 1 1 51 51 SER CB C 51 63.142 63.142 63.900 -0.758 18733 1670 1 5 . 1 1 52 52 PHE N N 52 118.004 118.004 115.851 2.153 18733 1671 1 5 . 1 1 52 52 PHE HA H 52 4.861 4.861 4.650 0.211 18733 1672 1 5 . 1 1 52 52 PHE CA C 52 57.045 57.045 57.252 -0.207 18733 1673 1 5 . 1 1 52 52 PHE CB C 52 42.165 42.165 42.005 0.160 18733 1674 1 5 . 1 1 53 53 GLU N N 53 119.224 119.224 118.608 0.616 18733 1675 1 5 . 1 1 53 53 GLU HA H 53 4.415 4.415 4.359 0.056 18733 1676 1 5 . 1 1 53 53 GLU CA C 53 57.653 57.653 56.486 1.167 18733 1677 1 5 . 1 1 53 53 GLU CB C 53 31.679 31.679 30.156 1.523 18733 1678 1 5 . 1 1 54 54 THR N N 54 105.230 105.230 113.154 -7.924 18733 1679 1 5 . 1 1 54 54 THR HA H 54 4.529 4.529 4.428 0.101 18733 1680 1 5 . 1 1 54 54 THR CA C 54 58.360 58.360 60.990 -2.630 18733 1681 1 5 . 1 1 54 54 THR CB C 54 73.366 73.366 70.895 2.471 18733 1682 1 5 . 1 1 55 55 LYS N N 55 122.509 122.509 123.742 -1.233 18733 1683 1 5 . 1 1 55 55 LYS HA H 55 2.752 2.752 3.935 -1.183 18733 1684 1 5 . 1 1 55 55 LYS CA C 55 58.567 58.567 59.343 -0.776 18733 1685 1 5 . 1 1 55 55 LYS CB C 55 32.829 32.829 31.430 1.399 18733 1686 1 5 . 1 1 56 56 GLU N N 56 117.867 117.867 118.670 -0.803 18733 1687 1 5 . 1 1 56 56 GLU HA H 56 3.785 3.785 4.048 -0.263 18733 1688 1 5 . 1 1 56 56 GLU CA C 56 60.334 60.334 59.380 0.954 18733 1689 1 5 . 1 1 56 56 GLU CB C 56 28.185 28.185 28.905 -0.720 18733 1690 1 5 . 1 1 57 57 GLN N N 57 119.487 119.487 117.601 1.886 18733 1691 1 5 . 1 1 57 57 GLN HA H 57 3.788 3.788 3.897 -0.109 18733 1692 1 5 . 1 1 57 57 GLN CA C 57 58.056 58.056 57.272 0.784 18733 1693 1 5 . 1 1 57 57 GLN CB C 57 28.577 28.577 28.553 0.024 18733 1694 1 5 . 1 1 58 58 MET N N 58 118.284 118.284 120.994 -2.710 18733 1695 1 5 . 1 1 58 58 MET HA H 58 2.029 2.029 4.225 -2.196 18733 1696 1 5 . 1 1 58 58 MET CA C 58 58.862 58.862 59.509 -0.647 18733 1697 1 5 . 1 1 58 58 MET CB C 58 30.814 30.814 32.919 -2.105 18733 1698 1 5 . 1 1 59 59 GLN N N 59 116.663 116.663 119.215 -2.552 18733 1699 1 5 . 1 1 59 59 GLN HA H 59 3.578 3.578 4.107 -0.529 18733 1700 1 5 . 1 1 59 59 GLN CA C 59 59.361 59.361 58.712 0.649 18733 1701 1 5 . 1 1 59 59 GLN CB C 59 28.975 28.975 28.767 0.208 18733 1702 1 5 . 1 1 60 60 ALA N N 60 119.084 119.084 120.681 -1.597 18733 1703 1 5 . 1 1 60 60 ALA HA H 60 4.028 4.028 4.219 -0.191 18733 1704 1 5 . 1 1 60 60 ALA CA C 60 54.245 54.245 53.827 0.418 18733 1705 1 5 . 1 1 60 60 ALA CB C 60 18.161 18.161 18.279 -0.117 18733 1706 1 5 . 1 1 61 61 LYS N N 61 115.215 115.215 116.595 -1.380 18733 1707 1 5 . 1 1 61 61 LYS HA H 61 4.517 4.517 4.660 -0.143 18733 1708 1 5 . 1 1 61 61 LYS CA C 61 54.188 54.188 55.087 -0.899 18733 1709 1 5 . 1 1 61 61 LYS CB C 61 33.239 33.239 33.029 0.210 18733 1710 1 5 . 1 1 62 62 LYS N N 62 122.199 122.199 121.687 0.512 18733 1711 1 5 . 1 1 62 62 LYS HA H 62 3.582 3.582 3.897 -0.315 18733 1712 1 5 . 1 1 62 62 LYS CA C 62 61.271 61.271 60.350 0.921 18733 1713 1 5 . 1 1 62 62 LYS CB C 62 33.052 33.052 31.960 1.092 18733 1714 1 5 . 1 1 63 63 GLN N N 63 117.101 117.101 117.632 -0.531 18733 1715 1 5 . 1 1 63 63 GLN HA H 63 3.767 3.767 4.162 -0.395 18733 1716 1 5 . 1 1 63 63 GLN CA C 63 58.948 58.948 58.029 0.919 18733 1717 1 5 . 1 1 63 63 GLN CB C 63 27.823 27.823 27.964 -0.141 18733 1718 1 5 . 1 1 64 64 GLU N N 64 119.459 119.459 119.764 -0.305 18733 1719 1 5 . 1 1 64 64 GLU HA H 64 4.035 4.035 4.100 -0.065 18733 1720 1 5 . 1 1 64 64 GLU CA C 64 59.672 59.672 59.054 0.618 18733 1721 1 5 . 1 1 64 64 GLU CB C 64 29.755 29.755 29.536 0.219 18733 1722 1 5 . 1 1 65 65 MET N N 65 118.493 118.493 114.570 3.923 18733 1723 1 5 . 1 1 65 65 MET HA H 65 4.077 4.077 4.470 -0.393 18733 1724 1 5 . 1 1 65 65 MET CA C 65 59.488 59.488 57.722 1.766 18733 1725 1 5 . 1 1 65 65 MET CB C 65 34.335 34.335 32.989 1.346 18733 1726 1 5 . 1 1 66 66 MET N N 66 117.848 117.848 117.308 0.540 18733 1727 1 5 . 1 1 66 66 MET HA H 66 4.127 4.127 4.004 0.123 18733 1728 1 5 . 1 1 66 66 MET CA C 66 59.790 59.790 57.848 1.942 18733 1729 1 5 . 1 1 66 66 MET CB C 66 31.196 31.196 32.821 -1.625 18733 1730 1 5 . 1 1 67 67 ASP N N 67 118.987 118.987 120.311 -1.324 18733 1731 1 5 . 1 1 67 67 ASP HA H 67 4.283 4.283 4.319 -0.036 18733 1732 1 5 . 1 1 67 67 ASP CA C 67 57.892 57.892 57.703 0.188 18733 1733 1 5 . 1 1 67 67 ASP CB C 67 39.885 39.885 41.346 -1.461 18733 1734 1 5 . 1 1 68 68 TYR N N 68 119.790 119.790 112.457 7.333 18733 1735 1 5 . 1 1 68 68 TYR HA H 68 4.118 4.118 4.628 -0.510 18733 1736 1 5 . 1 1 68 68 TYR CA C 68 61.588 61.588 57.049 4.539 18733 1737 1 5 . 1 1 68 68 TYR CB C 68 37.806 37.806 37.889 -0.083 18733 1738 1 5 . 1 1 69 69 TYR N N 69 118.552 118.552 118.777 -0.225 18733 1739 1 5 . 1 1 69 69 TYR HA H 69 4.057 4.057 3.943 0.114 18733 1740 1 5 . 1 1 69 69 TYR CA C 69 62.536 62.536 58.923 3.613 18733 1741 1 5 . 1 1 69 69 TYR CB C 69 37.582 37.582 38.026 -0.444 18733 1742 1 5 . 1 1 70 70 MET N N 70 117.939 117.939 118.086 -0.147 18733 1743 1 5 . 1 1 70 70 MET HA H 70 4.489 4.489 4.121 0.368 18733 1744 1 5 . 1 1 70 70 MET CA C 70 58.947 58.947 58.597 0.350 18733 1745 1 5 . 1 1 70 70 MET CB C 70 31.380 31.380 32.321 -0.941 18733 1746 1 5 . 1 1 71 71 ASP N N 71 120.118 120.118 115.284 4.834 18733 1747 1 5 . 1 1 71 71 ASP HA H 71 4.390 4.390 4.758 -0.368 18733 1748 1 5 . 1 1 71 71 ASP CA C 71 57.730 57.730 54.397 3.333 18733 1749 1 5 . 1 1 71 71 ASP CB C 71 40.050 40.050 40.749 -0.700 18733 1750 1 5 . 1 1 72 72 ARG N N 72 118.091 118.091 118.262 -0.171 18733 1751 1 5 . 1 1 72 72 ARG HA H 72 4.107 4.107 4.422 -0.315 18733 1752 1 5 . 1 1 72 72 ARG CA C 72 58.260 58.260 57.669 0.591 18733 1753 1 5 . 1 1 72 72 ARG CB C 72 31.091 31.091 30.781 0.310 18733 1754 1 5 . 1 1 73 73 TYR N N 73 121.878 121.878 117.659 4.219 18733 1755 1 5 . 1 1 73 73 TYR HA H 73 4.178 4.178 4.606 -0.428 18733 1756 1 5 . 1 1 73 73 TYR CA C 73 61.440 61.440 55.478 5.962 18733 1757 1 5 . 1 1 73 73 TYR CB C 73 38.677 38.677 36.502 2.175 18733 1758 1 5 . 1 1 74 74 LYS N N 74 119.791 119.791 122.270 -2.479 18733 1759 1 5 . 1 1 74 74 LYS HA H 74 3.564 3.564 3.642 -0.078 18733 1760 1 5 . 1 1 74 74 LYS CA C 74 60.621 60.621 59.830 0.791 18733 1761 1 5 . 1 1 74 74 LYS CB C 74 32.225 32.225 31.972 0.253 18733 1762 1 5 . 1 1 75 75 GLU N N 75 116.140 116.140 117.372 -1.232 18733 1763 1 5 . 1 1 75 75 GLU HA H 75 4.004 4.004 4.088 -0.084 18733 1764 1 5 . 1 1 75 75 GLU CA C 75 59.293 59.293 58.725 0.568 18733 1765 1 5 . 1 1 75 75 GLU CB C 75 29.627 29.627 28.910 0.717 18733 1766 1 5 . 1 1 76 76 MET N N 76 119.200 119.200 119.103 0.097 18733 1767 1 5 . 1 1 76 76 MET HA H 76 4.250 4.250 4.204 0.046 18733 1768 1 5 . 1 1 76 76 MET CA C 76 60.058 60.058 58.443 1.615 18733 1769 1 5 . 1 1 76 76 MET CB C 76 32.751 32.751 32.686 0.065 18733 1770 1 5 . 1 1 77 77 LEU N N 77 125.191 125.191 120.904 4.287 18733 1771 1 5 . 1 1 77 77 LEU HA H 77 3.703 3.703 4.063 -0.360 18733 1772 1 5 . 1 1 77 77 LEU CA C 77 58.589 58.589 57.263 1.327 18733 1773 1 5 . 1 1 77 77 LEU CB C 77 41.650 41.650 41.933 -0.283 18733 1774 1 5 . 1 1 78 78 ASP N N 78 119.843 119.843 119.906 -0.063 18733 1775 1 5 . 1 1 78 78 ASP HA H 78 4.177 4.177 4.369 -0.192 18733 1776 1 5 . 1 1 78 78 ASP CA C 78 58.584 58.584 57.036 1.548 18733 1777 1 5 . 1 1 78 78 ASP CB C 78 42.352 42.352 40.782 1.569 18733 1778 1 5 . 1 1 79 79 ALA N N 79 117.168 117.168 119.096 -1.928 18733 1779 1 5 . 1 1 79 79 ALA HA H 79 4.077 4.077 4.206 -0.129 18733 1780 1 5 . 1 1 79 79 ALA CA C 79 55.317 55.317 53.855 1.462 18733 1781 1 5 . 1 1 79 79 ALA CB C 79 18.335 18.335 18.847 -0.512 18733 1782 1 5 . 1 1 80 80 ASN N N 80 115.882 115.882 115.682 0.200 18733 1783 1 5 . 1 1 80 80 ASN HA H 80 4.416 4.416 4.780 -0.364 18733 1784 1 5 . 1 1 80 80 ASN CA C 80 57.791 57.791 53.825 3.966 18733 1785 1 5 . 1 1 80 80 ASN CB C 80 40.251 40.251 39.116 1.135 18733 1786 1 5 . 1 1 81 81 MET N N 81 120.945 120.945 119.031 1.914 18733 1787 1 5 . 1 1 81 81 MET HA H 81 4.129 4.129 4.388 -0.259 18733 1788 1 5 . 1 1 81 81 MET CA C 81 58.954 58.954 55.815 3.139 18733 1789 1 5 . 1 1 81 81 MET CB C 81 31.937 31.937 32.372 -0.435 18733 1790 1 5 . 1 1 82 82 GLU N N 82 116.578 116.578 113.763 2.815 18733 1791 1 5 . 1 1 82 82 GLU HA H 82 3.979 3.979 4.070 -0.091 18733 1792 1 5 . 1 1 82 82 GLU CA C 82 59.214 59.214 58.114 1.100 18733 1793 1 5 . 1 1 82 82 GLU CB C 82 29.207 29.207 29.066 0.141 18733 1794 1 5 . 1 1 83 83 ASP N N 83 119.199 119.199 118.868 0.331 18733 1795 1 5 . 1 1 83 83 ASP HA H 83 4.399 4.399 4.715 -0.316 18733 1796 1 5 . 1 1 83 83 ASP CA C 83 57.554 57.554 54.442 3.112 18733 1797 1 5 . 1 1 83 83 ASP CB C 83 42.088 42.088 41.587 0.501 18733 1798 1 5 . 1 1 84 84 TYR N N 84 117.904 117.904 120.508 -2.604 18733 1799 1 5 . 1 1 84 84 TYR HA H 84 3.931 3.931 4.259 -0.328 18733 1800 1 5 . 1 1 84 84 TYR CA C 84 63.663 63.663 61.383 2.280 18733 1801 1 5 . 1 1 84 84 TYR CB C 84 39.134 39.134 37.283 1.851 18733 1802 1 5 . 1 1 85 85 ILE N N 85 116.362 116.362 118.687 -2.325 18733 1803 1 5 . 1 1 85 85 ILE HA H 85 3.752 3.752 3.704 0.048 18733 1804 1 5 . 1 1 85 85 ILE CA C 85 66.287 66.287 64.239 2.048 18733 1805 1 5 . 1 1 85 85 ILE CB C 85 38.815 38.815 38.025 0.790 18733 1806 1 5 . 1 1 86 86 GLU N N 86 117.696 117.696 119.253 -1.557 18733 1807 1 5 . 1 1 86 86 GLU HA H 86 3.896 3.896 4.086 -0.190 18733 1808 1 5 . 1 1 86 86 GLU CA C 86 59.290 59.290 59.167 0.123 18733 1809 1 5 . 1 1 86 86 GLU CB C 86 29.660 29.660 29.044 0.616 18733 1810 1 5 . 1 1 87 87 ASN N N 87 113.943 113.943 115.934 -1.991 18733 1811 1 5 . 1 1 87 87 ASN HA H 87 4.933 4.933 4.731 0.202 18733 1812 1 5 . 1 1 87 87 ASN CA C 87 52.462 52.462 53.614 -1.153 18733 1813 1 5 . 1 1 87 87 ASN CB C 87 38.847 38.847 38.745 0.102 18733 1814 1 5 . 1 1 88 88 PHE N N 88 123.733 123.733 123.200 0.533 18733 1815 1 5 . 1 1 88 88 PHE HA H 88 4.141 4.141 4.264 -0.123 18733 1816 1 5 . 1 1 88 88 PHE CA C 88 63.888 63.888 62.472 1.416 18733 1817 1 5 . 1 1 88 88 PHE CB C 88 41.768 41.768 39.231 2.537 18733 1818 1 5 . 1 1 89 89 ASP N N 89 117.257 117.257 118.111 -0.854 18733 1819 1 5 . 1 1 89 89 ASP HA H 89 4.386 4.386 4.066 0.320 18733 1820 1 5 . 1 1 89 89 ASP CA C 89 57.468 57.468 57.408 0.060 18733 1821 1 5 . 1 1 89 89 ASP CB C 89 39.886 39.886 40.604 -0.718 18733 1822 1 5 . 1 1 90 90 HIS N N 90 121.385 121.385 119.415 1.970 18733 1823 1 5 . 1 1 90 90 HIS HA H 90 4.294 4.294 4.088 0.206 18733 1824 1 5 . 1 1 90 90 HIS CA C 90 59.081 59.081 59.605 -0.524 18733 1825 1 5 . 1 1 90 90 HIS CB C 90 29.949 29.949 29.816 0.133 18733 1826 1 5 . 1 1 91 91 TYR N N 91 118.440 118.440 118.737 -0.297 18733 1827 1 5 . 1 1 91 91 TYR HA H 91 4.192 4.192 4.542 -0.350 18733 1828 1 5 . 1 1 91 91 TYR CA C 91 59.618 59.618 60.871 -1.253 18733 1829 1 5 . 1 1 91 91 TYR CB C 91 36.860 36.860 37.953 -1.093 18733 1830 1 5 . 1 1 92 92 ARG N N 92 119.028 119.028 117.409 1.619 18733 1831 1 5 . 1 1 92 92 ARG HA H 92 4.023 4.023 4.114 -0.091 18733 1832 1 5 . 1 1 92 92 ARG CA C 92 57.308 57.308 57.518 -0.210 18733 1833 1 5 . 1 1 92 92 ARG CB C 92 29.129 29.129 29.520 -0.391 18733 1834 1 5 . 1 1 93 93 ALA N N 93 120.513 120.513 118.559 1.954 18733 1835 1 5 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.240 -0.029 18733 1836 1 5 . 1 1 93 93 ALA CA C 93 53.603 53.603 53.735 -0.132 18733 1837 1 5 . 1 1 93 93 ALA CB C 93 18.864 18.864 19.315 -0.451 18733 1838 1 5 . 1 1 94 94 THR N N 94 108.668 108.668 111.409 -2.741 18733 1839 1 5 . 1 1 94 94 THR HA H 94 4.249 4.249 4.150 0.099 18733 1840 1 5 . 1 1 94 94 THR CA C 94 62.170 62.170 63.968 -1.798 18733 1841 1 5 . 1 1 94 94 THR CB C 94 70.164 70.164 69.346 0.818 18733 1842 1 5 . 1 1 95 95 GLN N N 95 122.873 122.873 121.417 1.456 18733 1843 1 5 . 1 1 95 95 GLN HA H 95 4.288 4.288 4.375 -0.087 18733 1844 1 5 . 1 1 95 95 GLN CA C 95 56.073 56.073 55.933 0.140 18733 1845 1 5 . 1 1 95 95 GLN CB C 95 28.903 28.903 29.652 -0.749 18733 1846 1 6 . 1 1 2 2 ASN HA H 2 4.590 4.590 4.748 -0.158 18733 1847 1 6 . 1 1 2 2 ASN CA C 2 53.554 53.554 53.772 -0.218 18733 1848 1 6 . 1 1 2 2 ASN CB C 2 38.650 38.650 39.142 -0.492 18733 1849 1 6 . 1 1 3 3 ASN HA H 3 4.526 4.526 4.944 -0.418 18733 1850 1 6 . 1 1 3 3 ASN CA C 3 53.720 53.720 52.700 1.020 18733 1851 1 6 . 1 1 3 3 ASN CB C 3 38.473 38.473 41.188 -2.716 18733 1852 1 6 . 1 1 4 4 GLU N N 4 121.638 121.638 123.838 -2.200 18733 1853 1 6 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.324 -0.238 18733 1854 1 6 . 1 1 4 4 GLU CA C 4 57.656 57.656 58.544 -0.888 18733 1855 1 6 . 1 1 4 4 GLU CB C 4 29.649 29.649 29.761 -0.112 18733 1856 1 6 . 1 1 5 5 ASN N N 5 118.543 118.543 116.554 1.989 18733 1857 1 6 . 1 1 5 5 ASN HA H 5 4.531 4.531 4.828 -0.297 18733 1858 1 6 . 1 1 5 5 ASN CA C 5 55.114 55.114 53.968 1.146 18733 1859 1 6 . 1 1 5 5 ASN CB C 5 38.417 38.417 39.586 -1.169 18733 1860 1 6 . 1 1 6 6 ALA N N 6 123.531 123.531 121.406 2.125 18733 1861 1 6 . 1 1 6 6 ALA HA H 6 4.057 4.057 4.288 -0.231 18733 1862 1 6 . 1 1 6 6 ALA CA C 6 55.266 55.266 50.619 4.647 18733 1863 1 6 . 1 1 6 6 ALA CB C 6 18.099 18.099 19.435 -1.336 18733 1864 1 6 . 1 1 7 7 PHE N N 7 119.588 119.588 116.586 3.002 18733 1865 1 6 . 1 1 7 7 PHE HA H 7 3.777 3.777 4.837 -1.060 18733 1866 1 6 . 1 1 7 7 PHE CA C 7 61.179 61.179 54.664 6.514 18733 1867 1 6 . 1 1 7 7 PHE CB C 7 38.947 38.947 36.050 2.897 18733 1868 1 6 . 1 1 8 8 TYR N N 8 116.300 116.300 122.833 -6.533 18733 1869 1 6 . 1 1 8 8 TYR HA H 8 4.007 4.007 4.141 -0.134 18733 1870 1 6 . 1 1 8 8 TYR CA C 8 61.117 61.117 62.822 -1.705 18733 1871 1 6 . 1 1 8 8 TYR CB C 8 37.370 37.370 37.155 0.215 18733 1872 1 6 . 1 1 9 9 ALA N N 9 124.516 124.516 118.616 5.900 18733 1873 1 6 . 1 1 9 9 ALA HA H 9 4.074 4.074 4.231 -0.157 18733 1874 1 6 . 1 1 9 9 ALA CA C 9 55.415 55.415 54.050 1.365 18733 1875 1 6 . 1 1 9 9 ALA CB C 9 17.797 17.797 18.384 -0.587 18733 1876 1 6 . 1 1 10 10 ARG N N 10 118.255 118.255 118.721 -0.466 18733 1877 1 6 . 1 1 10 10 ARG HA H 10 3.857 3.857 4.389 -0.532 18733 1878 1 6 . 1 1 10 10 ARG CA C 10 60.070 60.070 57.041 3.029 18733 1879 1 6 . 1 1 10 10 ARG CB C 10 31.179 31.179 30.595 0.584 18733 1880 1 6 . 1 1 11 11 ALA N N 11 119.258 119.258 122.713 -3.455 18733 1881 1 6 . 1 1 11 11 ALA HA H 11 4.079 4.079 4.071 0.008 18733 1882 1 6 . 1 1 11 11 ALA CA C 11 55.152 55.152 55.174 -0.022 18733 1883 1 6 . 1 1 11 11 ALA CB C 11 19.072 19.072 17.860 1.212 18733 1884 1 6 . 1 1 12 12 THR N N 12 114.669 114.669 112.837 1.832 18733 1885 1 6 . 1 1 12 12 THR HA H 12 3.761 3.761 4.108 -0.347 18733 1886 1 6 . 1 1 12 12 THR CA C 12 67.028 67.028 65.685 1.343 18733 1887 1 6 . 1 1 12 12 THR CB C 12 68.661 68.661 68.625 0.036 18733 1888 1 6 . 1 1 13 13 GLU N N 13 120.838 120.838 120.613 0.225 18733 1889 1 6 . 1 1 13 13 GLU HA H 13 3.782 3.782 4.205 -0.423 18733 1890 1 6 . 1 1 13 13 GLU CA C 13 59.781 59.781 58.836 0.945 18733 1891 1 6 . 1 1 13 13 GLU CB C 13 29.713 29.713 29.514 0.199 18733 1892 1 6 . 1 1 14 14 LEU N N 14 119.831 119.831 120.705 -0.874 18733 1893 1 6 . 1 1 14 14 LEU HA H 14 3.616 3.616 4.211 -0.595 18733 1894 1 6 . 1 1 14 14 LEU CA C 14 58.363 58.363 57.768 0.595 18733 1895 1 6 . 1 1 14 14 LEU CB C 14 42.109 42.109 41.474 0.635 18733 1896 1 6 . 1 1 15 15 ILE N N 15 119.150 119.150 117.935 1.215 18733 1897 1 6 . 1 1 15 15 ILE HA H 15 3.376 3.376 3.489 -0.113 18733 1898 1 6 . 1 1 15 15 ILE CA C 15 66.274 66.274 64.999 1.275 18733 1899 1 6 . 1 1 15 15 ILE CB C 15 38.343 38.343 37.382 0.961 18733 1900 1 6 . 1 1 16 16 LYS N N 16 118.734 118.734 118.809 -0.075 18733 1901 1 6 . 1 1 16 16 LYS HA H 16 3.808 3.808 4.054 -0.246 18733 1902 1 6 . 1 1 16 16 LYS CA C 16 59.950 59.950 58.622 1.328 18733 1903 1 6 . 1 1 16 16 LYS CB C 16 32.109 32.109 32.220 -0.111 18733 1904 1 6 . 1 1 17 17 LEU N N 17 121.376 121.376 120.208 1.168 18733 1905 1 6 . 1 1 17 17 LEU HA H 17 4.017 4.017 4.230 -0.213 18733 1906 1 6 . 1 1 17 17 LEU CA C 17 57.733 57.733 57.304 0.429 18733 1907 1 6 . 1 1 17 17 LEU CB C 17 40.385 40.385 41.305 -0.920 18733 1908 1 6 . 1 1 18 18 ALA N N 18 123.298 123.298 121.175 2.123 18733 1909 1 6 . 1 1 18 18 ALA HA H 18 3.547 3.547 4.083 -0.536 18733 1910 1 6 . 1 1 18 18 ALA CA C 18 55.031 55.031 54.845 0.186 18733 1911 1 6 . 1 1 18 18 ALA CB C 18 17.716 17.716 18.483 -0.767 18733 1912 1 6 . 1 1 19 19 ASN N N 19 114.581 114.581 115.243 -0.662 18733 1913 1 6 . 1 1 19 19 ASN HA H 19 4.504 4.504 4.573 -0.069 18733 1914 1 6 . 1 1 19 19 ASN CA C 19 55.633 55.633 55.520 0.113 18733 1915 1 6 . 1 1 19 19 ASN CB C 19 37.683 37.683 38.539 -0.856 18733 1916 1 6 . 1 1 20 20 GLN N N 20 122.054 122.054 118.189 3.865 18733 1917 1 6 . 1 1 20 20 GLN HA H 20 3.959 3.959 4.252 -0.293 18733 1918 1 6 . 1 1 20 20 GLN CA C 20 58.913 58.913 58.141 0.772 18733 1919 1 6 . 1 1 20 20 GLN CB C 20 28.293 28.293 28.824 -0.531 18733 1920 1 6 . 1 1 21 21 GLN N N 21 120.962 120.962 118.122 2.840 18733 1921 1 6 . 1 1 21 21 GLN HA H 21 3.863 3.863 4.229 -0.366 18733 1922 1 6 . 1 1 21 21 GLN CA C 21 58.371 58.371 58.124 0.247 18733 1923 1 6 . 1 1 21 21 GLN CB C 21 27.603 27.603 28.442 -0.839 18733 1924 1 6 . 1 1 22 22 ASN N N 22 114.486 114.486 117.049 -2.563 18733 1925 1 6 . 1 1 22 22 ASN HA H 22 4.550 4.550 4.548 0.002 18733 1926 1 6 . 1 1 22 22 ASN CA C 22 53.545 53.545 53.858 -0.313 18733 1927 1 6 . 1 1 22 22 ASN CB C 22 39.752 39.752 38.484 1.268 18733 1928 1 6 . 1 1 23 23 GLN N N 23 117.002 117.002 116.449 0.553 18733 1929 1 6 . 1 1 23 23 GLN HA H 23 4.121 4.121 4.267 -0.146 18733 1930 1 6 . 1 1 23 23 GLN CA C 23 56.336 56.336 55.607 0.729 18733 1931 1 6 . 1 1 23 23 GLN CB C 23 28.367 28.367 28.692 -0.325 18733 1932 1 6 . 1 1 24 24 ASN N N 24 117.868 117.868 119.481 -1.613 18733 1933 1 6 . 1 1 24 24 ASN HA H 24 4.554 4.554 4.695 -0.141 18733 1934 1 6 . 1 1 24 24 ASN CA C 24 53.550 53.550 53.665 -0.115 18733 1935 1 6 . 1 1 24 24 ASN CB C 24 38.856 38.856 38.959 -0.103 18733 1936 1 6 . 1 1 25 25 THR N N 25 115.612 115.612 120.631 -5.019 18733 1937 1 6 . 1 1 25 25 THR HA H 25 4.193 4.193 4.154 0.039 18733 1938 1 6 . 1 1 25 25 THR CA C 25 63.026 63.026 64.197 -1.171 18733 1939 1 6 . 1 1 25 25 THR CB C 25 69.388 69.388 68.945 0.443 18733 1940 1 6 . 1 1 26 26 GLU N N 26 119.600 119.600 119.010 0.590 18733 1941 1 6 . 1 1 26 26 GLU HA H 26 4.213 4.213 4.319 -0.106 18733 1942 1 6 . 1 1 26 26 GLU CA C 26 56.803 56.803 56.239 0.564 18733 1943 1 6 . 1 1 26 26 GLU CB C 26 29.566 29.566 29.376 0.190 18733 1944 1 6 . 1 1 27 27 ILE N N 27 118.383 118.383 121.280 -2.897 18733 1945 1 6 . 1 1 27 27 ILE HA H 27 4.320 4.320 4.213 0.107 18733 1946 1 6 . 1 1 27 27 ILE CA C 27 59.638 59.638 60.369 -0.731 18733 1947 1 6 . 1 1 27 27 ILE CB C 27 39.531 39.531 39.343 0.188 18733 1948 1 6 . 1 1 28 28 GLN N N 28 122.321 122.321 123.132 -0.811 18733 1949 1 6 . 1 1 28 28 GLN HA H 28 4.593 4.593 4.435 0.158 18733 1950 1 6 . 1 1 28 28 GLN CA C 28 54.684 54.684 55.666 -0.982 18733 1951 1 6 . 1 1 28 28 GLN CB C 28 30.183 30.183 29.169 1.014 18733 1952 1 6 . 1 1 29 29 THR N N 29 119.517 119.517 118.157 1.360 18733 1953 1 6 . 1 1 29 29 THR HA H 29 3.916 3.916 3.967 -0.051 18733 1954 1 6 . 1 1 29 29 THR CA C 29 65.895 65.895 66.109 -0.214 18733 1955 1 6 . 1 1 29 29 THR CB C 29 68.708 68.708 68.627 0.081 18733 1956 1 6 . 1 1 30 30 GLY N N 30 109.285 109.285 108.565 0.720 18733 1957 1 6 . 1 1 30 30 GLY CA C 30 47.126 47.126 46.325 0.801 18733 1958 1 6 . 1 1 31 31 GLU N N 31 120.940 120.940 121.246 -0.306 18733 1959 1 6 . 1 1 31 31 GLU HA H 31 4.259 4.259 4.329 -0.070 18733 1960 1 6 . 1 1 31 31 GLU CA C 31 59.424 59.424 58.640 0.784 18733 1961 1 6 . 1 1 31 31 GLU CB C 31 29.410 29.410 29.332 0.078 18733 1962 1 6 . 1 1 32 32 VAL N N 32 122.718 122.718 120.156 2.562 18733 1963 1 6 . 1 1 32 32 VAL HA H 32 3.568 3.568 3.887 -0.319 18733 1964 1 6 . 1 1 32 32 VAL CA C 32 66.122 66.122 65.805 0.317 18733 1965 1 6 . 1 1 32 32 VAL CB C 32 31.157 31.157 31.115 0.042 18733 1966 1 6 . 1 1 33 33 SER N N 33 114.886 114.886 116.281 -1.395 18733 1967 1 6 . 1 1 33 33 SER HA H 33 4.112 4.112 4.199 -0.087 18733 1968 1 6 . 1 1 33 33 SER CA C 33 62.119 62.119 62.003 0.116 18733 1969 1 6 . 1 1 33 33 SER CB C 33 63.293 63.293 62.655 0.638 18733 1970 1 6 . 1 1 34 34 ALA N N 34 121.240 121.240 123.614 -2.374 18733 1971 1 6 . 1 1 34 34 ALA HA H 34 4.505 4.505 4.269 0.236 18733 1972 1 6 . 1 1 34 34 ALA CA C 34 55.790 55.790 54.789 1.001 18733 1973 1 6 . 1 1 34 34 ALA CB C 34 18.845 18.845 18.164 0.681 18733 1974 1 6 . 1 1 35 35 SER N N 35 111.131 111.131 116.224 -5.093 18733 1975 1 6 . 1 1 35 35 SER HA H 35 3.420 3.420 4.344 -0.924 18733 1976 1 6 . 1 1 35 35 SER CA C 35 61.316 61.316 62.346 -1.030 18733 1977 1 6 . 1 1 35 35 SER CB C 35 62.547 62.547 63.166 -0.619 18733 1978 1 6 . 1 1 36 36 PHE N N 36 127.676 127.676 123.181 4.495 18733 1979 1 6 . 1 1 36 36 PHE HA H 36 4.490 4.490 4.251 0.239 18733 1980 1 6 . 1 1 36 36 PHE CA C 36 57.592 57.592 61.431 -3.839 18733 1981 1 6 . 1 1 36 36 PHE CB C 36 38.111 38.111 39.347 -1.236 18733 1982 1 6 . 1 1 37 37 MET N N 37 119.851 119.851 120.245 -0.394 18733 1983 1 6 . 1 1 37 37 MET HA H 37 3.859 3.859 4.169 -0.310 18733 1984 1 6 . 1 1 37 37 MET CA C 37 59.444 59.444 58.572 0.872 18733 1985 1 6 . 1 1 37 37 MET CB C 37 33.517 33.517 32.304 1.213 18733 1986 1 6 . 1 1 38 38 TRP N N 38 121.153 121.153 120.298 0.855 18733 1987 1 6 . 1 1 38 38 TRP HA H 38 3.981 3.981 4.246 -0.265 18733 1988 1 6 . 1 1 38 38 TRP CA C 38 62.129 62.129 60.224 1.905 18733 1989 1 6 . 1 1 38 38 TRP CB C 38 29.930 29.930 29.665 0.265 18733 1990 1 6 . 1 1 39 39 ALA N N 39 119.518 119.518 122.204 -2.686 18733 1991 1 6 . 1 1 39 39 ALA HA H 39 3.880 3.880 3.845 0.035 18733 1992 1 6 . 1 1 39 39 ALA CA C 39 55.231 55.231 54.782 0.449 18733 1993 1 6 . 1 1 39 39 ALA CB C 39 20.477 20.477 17.821 2.656 18733 1994 1 6 . 1 1 40 40 LEU N N 40 116.794 116.794 119.681 -2.887 18733 1995 1 6 . 1 1 40 40 LEU HA H 40 2.741 2.741 3.897 -1.156 18733 1996 1 6 . 1 1 40 40 LEU CA C 40 56.979 56.979 56.978 0.001 18733 1997 1 6 . 1 1 40 40 LEU CB C 40 40.563 40.563 41.357 -0.794 18733 1998 1 6 . 1 1 41 41 ALA N N 41 120.249 120.249 121.731 -1.482 18733 1999 1 6 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.855 -0.192 18733 2000 1 6 . 1 1 41 41 ALA CA C 41 54.943 54.943 55.087 -0.144 18733 2001 1 6 . 1 1 41 41 ALA CB C 41 17.512 17.512 18.020 -0.508 18733 2002 1 6 . 1 1 42 42 ARG N N 42 118.787 118.787 117.778 1.009 18733 2003 1 6 . 1 1 42 42 ARG HA H 42 3.315 3.315 3.868 -0.553 18733 2004 1 6 . 1 1 42 42 ARG CA C 42 60.027 60.027 58.708 1.319 18733 2005 1 6 . 1 1 42 42 ARG CB C 42 29.084 29.084 30.110 -1.026 18733 2006 1 6 . 1 1 43 43 TYR N N 43 122.429 122.429 119.791 2.638 18733 2007 1 6 . 1 1 43 43 TYR HA H 43 3.956 3.956 4.121 -0.165 18733 2008 1 6 . 1 1 43 43 TYR CA C 43 63.225 63.225 61.054 2.171 18733 2009 1 6 . 1 1 43 43 TYR CB C 43 39.819 39.819 38.608 1.211 18733 2010 1 6 . 1 1 44 44 ASN N N 44 116.736 116.736 116.709 0.027 18733 2011 1 6 . 1 1 44 44 ASN HA H 44 4.170 4.170 4.607 -0.437 18733 2012 1 6 . 1 1 44 44 ASN CA C 44 56.267 56.267 55.225 1.042 18733 2013 1 6 . 1 1 44 44 ASN CB C 44 37.894 37.894 38.154 -0.260 18733 2014 1 6 . 1 1 45 45 ALA N N 45 124.950 124.950 122.608 2.342 18733 2015 1 6 . 1 1 45 45 ALA HA H 45 3.862 3.862 4.219 -0.357 18733 2016 1 6 . 1 1 45 45 ALA CA C 45 55.465 55.465 54.468 0.997 18733 2017 1 6 . 1 1 45 45 ALA CB C 45 18.587 18.587 18.071 0.516 18733 2018 1 6 . 1 1 46 46 TRP N N 46 119.686 119.686 120.706 -1.020 18733 2019 1 6 . 1 1 46 46 TRP HA H 46 2.849 2.849 4.150 -1.301 18733 2020 1 6 . 1 1 46 46 TRP CA C 46 60.783 60.783 60.455 0.329 18733 2021 1 6 . 1 1 46 46 TRP CB C 46 26.470 26.470 29.069 -2.599 18733 2022 1 6 . 1 1 47 47 PHE N N 47 121.090 121.090 116.760 4.330 18733 2023 1 6 . 1 1 47 47 PHE HA H 47 2.939 2.939 4.262 -1.323 18733 2024 1 6 . 1 1 47 47 PHE CA C 47 59.116 59.116 59.930 -0.814 18733 2025 1 6 . 1 1 47 47 PHE CB C 47 38.212 38.212 38.654 -0.442 18733 2026 1 6 . 1 1 48 48 GLY N N 48 109.386 109.386 108.323 1.063 18733 2027 1 6 . 1 1 48 48 GLY CA C 48 47.209 47.209 47.330 -0.121 18733 2028 1 6 . 1 1 49 49 SER N N 49 118.098 118.098 114.366 3.732 18733 2029 1 6 . 1 1 49 49 SER CA C 49 62.016 62.016 59.579 2.437 18733 2030 1 6 . 1 1 49 49 SER CB C 49 63.411 63.411 63.091 0.320 18733 2031 1 6 . 1 1 50 50 THR N N 50 110.801 110.801 110.205 0.596 18733 2032 1 6 . 1 1 50 50 THR HA H 50 3.851 3.851 4.284 -0.433 18733 2033 1 6 . 1 1 50 50 THR CA C 50 63.914 63.914 63.035 0.879 18733 2034 1 6 . 1 1 50 50 THR CB C 50 69.676 69.676 69.513 0.163 18733 2035 1 6 . 1 1 51 51 SER N N 51 115.249 115.249 118.183 -2.934 18733 2036 1 6 . 1 1 51 51 SER HA H 51 3.990 3.990 4.217 -0.227 18733 2037 1 6 . 1 1 51 51 SER CA C 51 59.360 59.360 60.448 -1.088 18733 2038 1 6 . 1 1 51 51 SER CB C 51 63.142 63.142 63.763 -0.621 18733 2039 1 6 . 1 1 52 52 PHE N N 52 118.004 118.004 115.532 2.472 18733 2040 1 6 . 1 1 52 52 PHE HA H 52 4.861 4.861 4.544 0.317 18733 2041 1 6 . 1 1 52 52 PHE CA C 52 57.045 57.045 57.229 -0.184 18733 2042 1 6 . 1 1 52 52 PHE CB C 52 42.165 42.165 42.140 0.025 18733 2043 1 6 . 1 1 53 53 GLU N N 53 119.224 119.224 118.640 0.584 18733 2044 1 6 . 1 1 53 53 GLU HA H 53 4.415 4.415 4.386 0.029 18733 2045 1 6 . 1 1 53 53 GLU CA C 53 57.653 57.653 56.796 0.857 18733 2046 1 6 . 1 1 53 53 GLU CB C 53 31.679 31.679 30.495 1.184 18733 2047 1 6 . 1 1 54 54 THR N N 54 105.230 105.230 112.325 -7.095 18733 2048 1 6 . 1 1 54 54 THR HA H 54 4.529 4.529 4.553 -0.024 18733 2049 1 6 . 1 1 54 54 THR CA C 54 58.360 58.360 59.848 -1.488 18733 2050 1 6 . 1 1 54 54 THR CB C 54 73.366 73.366 71.926 1.440 18733 2051 1 6 . 1 1 55 55 LYS N N 55 122.509 122.509 121.699 0.810 18733 2052 1 6 . 1 1 55 55 LYS HA H 55 2.752 2.752 3.994 -1.242 18733 2053 1 6 . 1 1 55 55 LYS CA C 55 58.567 58.567 59.011 -0.444 18733 2054 1 6 . 1 1 55 55 LYS CB C 55 32.829 32.829 31.935 0.894 18733 2055 1 6 . 1 1 56 56 GLU N N 56 117.867 117.867 119.264 -1.397 18733 2056 1 6 . 1 1 56 56 GLU HA H 56 3.785 3.785 4.010 -0.225 18733 2057 1 6 . 1 1 56 56 GLU CA C 56 60.334 60.334 60.067 0.267 18733 2058 1 6 . 1 1 56 56 GLU CB C 56 28.185 28.185 28.973 -0.788 18733 2059 1 6 . 1 1 57 57 GLN N N 57 119.487 119.487 117.783 1.704 18733 2060 1 6 . 1 1 57 57 GLN HA H 57 3.788 3.788 3.754 0.034 18733 2061 1 6 . 1 1 57 57 GLN CA C 57 58.056 58.056 57.596 0.460 18733 2062 1 6 . 1 1 57 57 GLN CB C 57 28.577 28.577 28.060 0.517 18733 2063 1 6 . 1 1 58 58 MET N N 58 118.284 118.284 121.108 -2.824 18733 2064 1 6 . 1 1 58 58 MET HA H 58 2.029 2.029 4.271 -2.242 18733 2065 1 6 . 1 1 58 58 MET CA C 58 58.862 58.862 59.482 -0.620 18733 2066 1 6 . 1 1 58 58 MET CB C 58 30.814 30.814 32.915 -2.101 18733 2067 1 6 . 1 1 59 59 GLN N N 59 116.663 116.663 119.507 -2.844 18733 2068 1 6 . 1 1 59 59 GLN HA H 59 3.578 3.578 4.119 -0.541 18733 2069 1 6 . 1 1 59 59 GLN CA C 59 59.361 59.361 58.674 0.687 18733 2070 1 6 . 1 1 59 59 GLN CB C 59 28.975 28.975 28.747 0.228 18733 2071 1 6 . 1 1 60 60 ALA N N 60 119.084 119.084 121.359 -2.275 18733 2072 1 6 . 1 1 60 60 ALA HA H 60 4.028 4.028 4.212 -0.184 18733 2073 1 6 . 1 1 60 60 ALA CA C 60 54.245 54.245 54.101 0.144 18733 2074 1 6 . 1 1 60 60 ALA CB C 60 18.161 18.161 18.397 -0.236 18733 2075 1 6 . 1 1 61 61 LYS N N 61 115.215 115.215 116.510 -1.295 18733 2076 1 6 . 1 1 61 61 LYS HA H 61 4.517 4.517 4.687 -0.170 18733 2077 1 6 . 1 1 61 61 LYS CA C 61 54.188 54.188 55.380 -1.192 18733 2078 1 6 . 1 1 61 61 LYS CB C 61 33.239 33.239 32.741 0.498 18733 2079 1 6 . 1 1 62 62 LYS N N 62 122.199 122.199 120.668 1.531 18733 2080 1 6 . 1 1 62 62 LYS HA H 62 3.582 3.582 3.912 -0.330 18733 2081 1 6 . 1 1 62 62 LYS CA C 62 61.271 61.271 60.408 0.863 18733 2082 1 6 . 1 1 62 62 LYS CB C 62 33.052 33.052 31.783 1.269 18733 2083 1 6 . 1 1 63 63 GLN N N 63 117.101 117.101 118.982 -1.881 18733 2084 1 6 . 1 1 63 63 GLN HA H 63 3.767 3.767 4.069 -0.302 18733 2085 1 6 . 1 1 63 63 GLN CA C 63 58.948 58.948 58.686 0.262 18733 2086 1 6 . 1 1 63 63 GLN CB C 63 27.823 27.823 27.824 -0.001 18733 2087 1 6 . 1 1 64 64 GLU N N 64 119.459 119.459 119.238 0.221 18733 2088 1 6 . 1 1 64 64 GLU HA H 64 4.035 4.035 4.136 -0.101 18733 2089 1 6 . 1 1 64 64 GLU CA C 64 59.672 59.672 58.991 0.681 18733 2090 1 6 . 1 1 64 64 GLU CB C 64 29.755 29.755 28.915 0.840 18733 2091 1 6 . 1 1 65 65 MET N N 65 118.493 118.493 114.311 4.182 18733 2092 1 6 . 1 1 65 65 MET HA H 65 4.077 4.077 4.333 -0.256 18733 2093 1 6 . 1 1 65 65 MET CA C 65 59.488 59.488 57.905 1.583 18733 2094 1 6 . 1 1 65 65 MET CB C 65 34.335 34.335 33.061 1.274 18733 2095 1 6 . 1 1 66 66 MET N N 66 117.848 117.848 119.292 -1.444 18733 2096 1 6 . 1 1 66 66 MET HA H 66 4.127 4.127 4.246 -0.119 18733 2097 1 6 . 1 1 66 66 MET CA C 66 59.790 59.790 58.703 1.087 18733 2098 1 6 . 1 1 66 66 MET CB C 66 31.196 31.196 32.149 -0.953 18733 2099 1 6 . 1 1 67 67 ASP N N 67 118.987 118.987 120.738 -1.751 18733 2100 1 6 . 1 1 67 67 ASP HA H 67 4.283 4.283 4.394 -0.111 18733 2101 1 6 . 1 1 67 67 ASP CA C 67 57.892 57.892 57.468 0.424 18733 2102 1 6 . 1 1 67 67 ASP CB C 67 39.885 39.885 40.779 -0.894 18733 2103 1 6 . 1 1 68 68 TYR N N 68 119.790 119.790 118.086 1.704 18733 2104 1 6 . 1 1 68 68 TYR HA H 68 4.118 4.118 4.610 -0.492 18733 2105 1 6 . 1 1 68 68 TYR CA C 68 61.588 61.588 60.340 1.248 18733 2106 1 6 . 1 1 68 68 TYR CB C 68 37.806 37.806 39.136 -1.330 18733 2107 1 6 . 1 1 69 69 TYR N N 69 118.552 118.552 117.133 1.419 18733 2108 1 6 . 1 1 69 69 TYR HA H 69 4.057 4.057 4.193 -0.136 18733 2109 1 6 . 1 1 69 69 TYR CA C 69 62.536 62.536 59.879 2.657 18733 2110 1 6 . 1 1 69 69 TYR CB C 69 37.582 37.582 37.865 -0.283 18733 2111 1 6 . 1 1 70 70 MET N N 70 117.939 117.939 116.651 1.288 18733 2112 1 6 . 1 1 70 70 MET HA H 70 4.489 4.489 4.315 0.174 18733 2113 1 6 . 1 1 70 70 MET CA C 70 58.947 58.947 58.138 0.809 18733 2114 1 6 . 1 1 70 70 MET CB C 70 31.380 31.380 33.161 -1.781 18733 2115 1 6 . 1 1 71 71 ASP N N 71 120.118 120.118 117.942 2.176 18733 2116 1 6 . 1 1 71 71 ASP HA H 71 4.390 4.390 4.888 -0.498 18733 2117 1 6 . 1 1 71 71 ASP CA C 71 57.730 57.730 53.298 4.432 18733 2118 1 6 . 1 1 71 71 ASP CB C 71 40.050 40.050 40.243 -0.193 18733 2119 1 6 . 1 1 72 72 ARG N N 72 118.091 118.091 122.829 -4.738 18733 2120 1 6 . 1 1 72 72 ARG HA H 72 4.107 4.107 4.556 -0.449 18733 2121 1 6 . 1 1 72 72 ARG CA C 72 58.260 58.260 56.946 1.314 18733 2122 1 6 . 1 1 72 72 ARG CB C 72 31.091 31.091 32.897 -1.806 18733 2123 1 6 . 1 1 73 73 TYR N N 73 121.878 121.878 119.595 2.283 18733 2124 1 6 . 1 1 73 73 TYR HA H 73 4.178 4.178 4.779 -0.601 18733 2125 1 6 . 1 1 73 73 TYR CA C 73 61.440 61.440 55.444 5.996 18733 2126 1 6 . 1 1 73 73 TYR CB C 73 38.677 38.677 37.485 1.192 18733 2127 1 6 . 1 1 74 74 LYS N N 74 119.791 119.791 122.282 -2.491 18733 2128 1 6 . 1 1 74 74 LYS HA H 74 3.564 3.564 3.760 -0.196 18733 2129 1 6 . 1 1 74 74 LYS CA C 74 60.621 60.621 60.510 0.111 18733 2130 1 6 . 1 1 74 74 LYS CB C 74 32.225 32.225 31.953 0.271 18733 2131 1 6 . 1 1 75 75 GLU N N 75 116.140 116.140 118.042 -1.902 18733 2132 1 6 . 1 1 75 75 GLU HA H 75 4.004 4.004 4.043 -0.039 18733 2133 1 6 . 1 1 75 75 GLU CA C 75 59.293 59.293 58.863 0.430 18733 2134 1 6 . 1 1 75 75 GLU CB C 75 29.627 29.627 28.650 0.977 18733 2135 1 6 . 1 1 76 76 MET N N 76 119.200 119.200 119.065 0.135 18733 2136 1 6 . 1 1 76 76 MET HA H 76 4.250 4.250 4.138 0.112 18733 2137 1 6 . 1 1 76 76 MET CA C 76 60.058 60.058 58.619 1.439 18733 2138 1 6 . 1 1 76 76 MET CB C 76 32.751 32.751 32.636 0.115 18733 2139 1 6 . 1 1 77 77 LEU N N 77 125.191 125.191 120.414 4.777 18733 2140 1 6 . 1 1 77 77 LEU HA H 77 3.703 3.703 3.857 -0.154 18733 2141 1 6 . 1 1 77 77 LEU CA C 77 58.589 58.589 57.540 1.049 18733 2142 1 6 . 1 1 77 77 LEU CB C 77 41.650 41.650 41.770 -0.120 18733 2143 1 6 . 1 1 78 78 ASP N N 78 119.843 119.843 119.768 0.075 18733 2144 1 6 . 1 1 78 78 ASP HA H 78 4.177 4.177 4.208 -0.031 18733 2145 1 6 . 1 1 78 78 ASP CA C 78 58.584 58.584 57.565 1.019 18733 2146 1 6 . 1 1 78 78 ASP CB C 78 42.352 42.352 40.879 1.473 18733 2147 1 6 . 1 1 79 79 ALA N N 79 117.168 117.168 118.456 -1.288 18733 2148 1 6 . 1 1 79 79 ALA HA H 79 4.077 4.077 4.061 0.016 18733 2149 1 6 . 1 1 79 79 ALA CA C 79 55.317 55.317 54.311 1.006 18733 2150 1 6 . 1 1 79 79 ALA CB C 79 18.335 18.335 18.868 -0.533 18733 2151 1 6 . 1 1 80 80 ASN N N 80 115.882 115.882 114.757 1.125 18733 2152 1 6 . 1 1 80 80 ASN HA H 80 4.416 4.416 4.730 -0.314 18733 2153 1 6 . 1 1 80 80 ASN CA C 80 57.791 57.791 54.557 3.234 18733 2154 1 6 . 1 1 80 80 ASN CB C 80 40.251 40.251 39.161 1.090 18733 2155 1 6 . 1 1 81 81 MET N N 81 120.945 120.945 120.250 0.695 18733 2156 1 6 . 1 1 81 81 MET HA H 81 4.129 4.129 4.273 -0.144 18733 2157 1 6 . 1 1 81 81 MET CA C 81 58.954 58.954 57.883 1.071 18733 2158 1 6 . 1 1 81 81 MET CB C 81 31.937 31.937 32.143 -0.206 18733 2159 1 6 . 1 1 82 82 GLU N N 82 116.578 116.578 116.622 -0.044 18733 2160 1 6 . 1 1 82 82 GLU HA H 82 3.979 3.979 4.159 -0.180 18733 2161 1 6 . 1 1 82 82 GLU CA C 82 59.214 59.214 57.898 1.316 18733 2162 1 6 . 1 1 82 82 GLU CB C 82 29.207 29.207 28.338 0.869 18733 2163 1 6 . 1 1 83 83 ASP N N 83 119.199 119.199 119.837 -0.638 18733 2164 1 6 . 1 1 83 83 ASP HA H 83 4.399 4.399 4.462 -0.063 18733 2165 1 6 . 1 1 83 83 ASP CA C 83 57.554 57.554 55.969 1.585 18733 2166 1 6 . 1 1 83 83 ASP CB C 83 42.088 42.088 41.410 0.678 18733 2167 1 6 . 1 1 84 84 TYR N N 84 117.904 117.904 118.763 -0.859 18733 2168 1 6 . 1 1 84 84 TYR HA H 84 3.931 3.931 4.595 -0.664 18733 2169 1 6 . 1 1 84 84 TYR CA C 84 63.663 63.663 60.319 3.344 18733 2170 1 6 . 1 1 84 84 TYR CB C 84 39.134 39.134 38.884 0.250 18733 2171 1 6 . 1 1 85 85 ILE N N 85 116.362 116.362 118.435 -2.073 18733 2172 1 6 . 1 1 85 85 ILE HA H 85 3.752 3.752 3.720 0.032 18733 2173 1 6 . 1 1 85 85 ILE CA C 85 66.287 66.287 65.210 1.077 18733 2174 1 6 . 1 1 85 85 ILE CB C 85 38.815 38.815 37.940 0.875 18733 2175 1 6 . 1 1 86 86 GLU N N 86 117.696 117.696 118.400 -0.704 18733 2176 1 6 . 1 1 86 86 GLU HA H 86 3.896 3.896 4.181 -0.285 18733 2177 1 6 . 1 1 86 86 GLU CA C 86 59.290 59.290 58.944 0.346 18733 2178 1 6 . 1 1 86 86 GLU CB C 86 29.660 29.660 28.936 0.724 18733 2179 1 6 . 1 1 87 87 ASN N N 87 113.943 113.943 116.233 -2.290 18733 2180 1 6 . 1 1 87 87 ASN HA H 87 4.933 4.933 4.948 -0.015 18733 2181 1 6 . 1 1 87 87 ASN CA C 87 52.462 52.462 53.259 -0.797 18733 2182 1 6 . 1 1 87 87 ASN CB C 87 38.847 38.847 39.484 -0.637 18733 2183 1 6 . 1 1 88 88 PHE N N 88 123.733 123.733 123.027 0.706 18733 2184 1 6 . 1 1 88 88 PHE HA H 88 4.141 4.141 4.352 -0.211 18733 2185 1 6 . 1 1 88 88 PHE CA C 88 63.888 63.888 62.850 1.038 18733 2186 1 6 . 1 1 88 88 PHE CB C 88 41.768 41.768 39.327 2.441 18733 2187 1 6 . 1 1 89 89 ASP N N 89 117.257 117.257 118.122 -0.865 18733 2188 1 6 . 1 1 89 89 ASP HA H 89 4.386 4.386 4.101 0.285 18733 2189 1 6 . 1 1 89 89 ASP CA C 89 57.468 57.468 57.355 0.113 18733 2190 1 6 . 1 1 89 89 ASP CB C 89 39.886 39.886 40.623 -0.737 18733 2191 1 6 . 1 1 90 90 HIS N N 90 121.385 121.385 118.884 2.501 18733 2192 1 6 . 1 1 90 90 HIS HA H 90 4.294 4.294 4.182 0.112 18733 2193 1 6 . 1 1 90 90 HIS CA C 90 59.081 59.081 59.416 -0.335 18733 2194 1 6 . 1 1 90 90 HIS CB C 90 29.949 29.949 29.931 0.018 18733 2195 1 6 . 1 1 91 91 TYR N N 91 118.440 118.440 118.956 -0.516 18733 2196 1 6 . 1 1 91 91 TYR HA H 91 4.192 4.192 4.397 -0.205 18733 2197 1 6 . 1 1 91 91 TYR CA C 91 59.618 59.618 61.277 -1.659 18733 2198 1 6 . 1 1 91 91 TYR CB C 91 36.860 36.860 38.160 -1.300 18733 2199 1 6 . 1 1 92 92 ARG N N 92 119.028 119.028 119.230 -0.202 18733 2200 1 6 . 1 1 92 92 ARG HA H 92 4.023 4.023 3.845 0.178 18733 2201 1 6 . 1 1 92 92 ARG CA C 92 57.308 57.308 58.178 -0.870 18733 2202 1 6 . 1 1 92 92 ARG CB C 92 29.129 29.129 29.487 -0.358 18733 2203 1 6 . 1 1 93 93 ALA N N 93 120.513 120.513 118.181 2.332 18733 2204 1 6 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.183 0.028 18733 2205 1 6 . 1 1 93 93 ALA CA C 93 53.603 53.603 53.630 -0.027 18733 2206 1 6 . 1 1 93 93 ALA CB C 93 18.864 18.864 19.082 -0.218 18733 2207 1 6 . 1 1 94 94 THR N N 94 108.668 108.668 110.408 -1.740 18733 2208 1 6 . 1 1 94 94 THR HA H 94 4.249 4.249 4.303 -0.054 18733 2209 1 6 . 1 1 94 94 THR CA C 94 62.170 62.170 62.676 -0.506 18733 2210 1 6 . 1 1 94 94 THR CB C 94 70.164 70.164 69.509 0.655 18733 2211 1 6 . 1 1 95 95 GLN N N 95 122.873 122.873 121.799 1.074 18733 2212 1 6 . 1 1 95 95 GLN HA H 95 4.288 4.288 4.393 -0.105 18733 2213 1 6 . 1 1 95 95 GLN CA C 95 56.073 56.073 56.091 -0.018 18733 2214 1 6 . 1 1 95 95 GLN CB C 95 28.903 28.903 29.962 -1.059 18733 2215 1 7 . 1 1 2 2 ASN HA H 2 4.590 4.590 4.806 -0.216 18733 2216 1 7 . 1 1 2 2 ASN CA C 2 53.554 53.554 53.445 0.109 18733 2217 1 7 . 1 1 2 2 ASN CB C 2 38.650 38.650 38.974 -0.324 18733 2218 1 7 . 1 1 3 3 ASN HA H 3 4.526 4.526 4.978 -0.452 18733 2219 1 7 . 1 1 3 3 ASN CA C 3 53.720 53.720 52.812 0.909 18733 2220 1 7 . 1 1 3 3 ASN CB C 3 38.473 38.473 39.922 -1.449 18733 2221 1 7 . 1 1 4 4 GLU N N 4 121.638 121.638 121.090 0.548 18733 2222 1 7 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.291 -0.205 18733 2223 1 7 . 1 1 4 4 GLU CA C 4 57.656 57.656 58.377 -0.721 18733 2224 1 7 . 1 1 4 4 GLU CB C 4 29.649 29.649 30.527 -0.878 18733 2225 1 7 . 1 1 5 5 ASN N N 5 118.543 118.543 116.975 1.568 18733 2226 1 7 . 1 1 5 5 ASN HA H 5 4.531 4.531 4.665 -0.134 18733 2227 1 7 . 1 1 5 5 ASN CA C 5 55.114 55.114 53.392 1.722 18733 2228 1 7 . 1 1 5 5 ASN CB C 5 38.417 38.417 39.515 -1.098 18733 2229 1 7 . 1 1 6 6 ALA N N 6 123.531 123.531 122.018 1.513 18733 2230 1 7 . 1 1 6 6 ALA HA H 6 4.057 4.057 4.122 -0.065 18733 2231 1 7 . 1 1 6 6 ALA CA C 6 55.266 55.266 50.369 4.897 18733 2232 1 7 . 1 1 6 6 ALA CB C 6 18.099 18.099 19.425 -1.326 18733 2233 1 7 . 1 1 7 7 PHE N N 7 119.588 119.588 118.436 1.152 18733 2234 1 7 . 1 1 7 7 PHE HA H 7 3.777 3.777 4.638 -0.861 18733 2235 1 7 . 1 1 7 7 PHE CA C 7 61.179 61.179 54.284 6.895 18733 2236 1 7 . 1 1 7 7 PHE CB C 7 38.947 38.947 35.901 3.046 18733 2237 1 7 . 1 1 8 8 TYR N N 8 116.300 116.300 123.524 -7.224 18733 2238 1 7 . 1 1 8 8 TYR HA H 8 4.007 4.007 4.163 -0.156 18733 2239 1 7 . 1 1 8 8 TYR CA C 8 61.117 61.117 62.298 -1.181 18733 2240 1 7 . 1 1 8 8 TYR CB C 8 37.370 37.370 36.607 0.763 18733 2241 1 7 . 1 1 9 9 ALA N N 9 124.516 124.516 118.038 6.478 18733 2242 1 7 . 1 1 9 9 ALA HA H 9 4.074 4.074 4.166 -0.092 18733 2243 1 7 . 1 1 9 9 ALA CA C 9 55.415 55.415 53.746 1.669 18733 2244 1 7 . 1 1 9 9 ALA CB C 9 17.797 17.797 18.498 -0.701 18733 2245 1 7 . 1 1 10 10 ARG N N 10 118.255 118.255 117.945 0.310 18733 2246 1 7 . 1 1 10 10 ARG HA H 10 3.857 3.857 4.285 -0.428 18733 2247 1 7 . 1 1 10 10 ARG CA C 10 60.070 60.070 58.159 1.911 18733 2248 1 7 . 1 1 10 10 ARG CB C 10 31.179 31.179 31.126 0.053 18733 2249 1 7 . 1 1 11 11 ALA N N 11 119.258 119.258 122.651 -3.393 18733 2250 1 7 . 1 1 11 11 ALA HA H 11 4.079 4.079 4.080 -0.001 18733 2251 1 7 . 1 1 11 11 ALA CA C 11 55.152 55.152 55.102 0.050 18733 2252 1 7 . 1 1 11 11 ALA CB C 11 19.072 19.072 17.985 1.087 18733 2253 1 7 . 1 1 12 12 THR N N 12 114.669 114.669 112.195 2.474 18733 2254 1 7 . 1 1 12 12 THR HA H 12 3.761 3.761 4.059 -0.298 18733 2255 1 7 . 1 1 12 12 THR CA C 12 67.028 67.028 65.716 1.312 18733 2256 1 7 . 1 1 12 12 THR CB C 12 68.661 68.661 68.685 -0.024 18733 2257 1 7 . 1 1 13 13 GLU N N 13 120.838 120.838 120.269 0.569 18733 2258 1 7 . 1 1 13 13 GLU HA H 13 3.782 3.782 4.286 -0.504 18733 2259 1 7 . 1 1 13 13 GLU CA C 13 59.781 59.781 58.473 1.308 18733 2260 1 7 . 1 1 13 13 GLU CB C 13 29.713 29.713 29.943 -0.230 18733 2261 1 7 . 1 1 14 14 LEU N N 14 119.831 119.831 121.113 -1.282 18733 2262 1 7 . 1 1 14 14 LEU HA H 14 3.616 3.616 4.182 -0.566 18733 2263 1 7 . 1 1 14 14 LEU CA C 14 58.363 58.363 58.013 0.350 18733 2264 1 7 . 1 1 14 14 LEU CB C 14 42.109 42.109 41.372 0.737 18733 2265 1 7 . 1 1 15 15 ILE N N 15 119.150 119.150 118.047 1.103 18733 2266 1 7 . 1 1 15 15 ILE HA H 15 3.376 3.376 3.516 -0.140 18733 2267 1 7 . 1 1 15 15 ILE CA C 15 66.274 66.274 65.343 0.932 18733 2268 1 7 . 1 1 15 15 ILE CB C 15 38.343 38.343 37.410 0.933 18733 2269 1 7 . 1 1 16 16 LYS N N 16 118.734 118.734 119.850 -1.116 18733 2270 1 7 . 1 1 16 16 LYS HA H 16 3.808 3.808 4.064 -0.256 18733 2271 1 7 . 1 1 16 16 LYS CA C 16 59.950 59.950 58.780 1.170 18733 2272 1 7 . 1 1 16 16 LYS CB C 16 32.109 32.109 31.868 0.241 18733 2273 1 7 . 1 1 17 17 LEU N N 17 121.376 121.376 120.431 0.945 18733 2274 1 7 . 1 1 17 17 LEU HA H 17 4.017 4.017 4.177 -0.160 18733 2275 1 7 . 1 1 17 17 LEU CA C 17 57.733 57.733 57.779 -0.046 18733 2276 1 7 . 1 1 17 17 LEU CB C 17 40.385 40.385 41.193 -0.808 18733 2277 1 7 . 1 1 18 18 ALA N N 18 123.298 123.298 121.215 2.083 18733 2278 1 7 . 1 1 18 18 ALA HA H 18 3.547 3.547 4.042 -0.495 18733 2279 1 7 . 1 1 18 18 ALA CA C 18 55.031 55.031 54.854 0.177 18733 2280 1 7 . 1 1 18 18 ALA CB C 18 17.716 17.716 18.363 -0.647 18733 2281 1 7 . 1 1 19 19 ASN N N 19 114.581 114.581 115.498 -0.917 18733 2282 1 7 . 1 1 19 19 ASN HA H 19 4.504 4.504 4.417 0.087 18733 2283 1 7 . 1 1 19 19 ASN CA C 19 55.633 55.633 56.225 -0.592 18733 2284 1 7 . 1 1 19 19 ASN CB C 19 37.683 37.683 38.529 -0.846 18733 2285 1 7 . 1 1 20 20 GLN N N 20 122.054 122.054 117.816 4.238 18733 2286 1 7 . 1 1 20 20 GLN HA H 20 3.959 3.959 4.197 -0.238 18733 2287 1 7 . 1 1 20 20 GLN CA C 20 58.913 58.913 58.193 0.720 18733 2288 1 7 . 1 1 20 20 GLN CB C 20 28.293 28.293 28.731 -0.438 18733 2289 1 7 . 1 1 21 21 GLN N N 21 120.962 120.962 118.413 2.549 18733 2290 1 7 . 1 1 21 21 GLN HA H 21 3.863 3.863 4.208 -0.345 18733 2291 1 7 . 1 1 21 21 GLN CA C 21 58.371 58.371 58.286 0.085 18733 2292 1 7 . 1 1 21 21 GLN CB C 21 27.603 27.603 28.627 -1.024 18733 2293 1 7 . 1 1 22 22 ASN N N 22 114.486 114.486 116.681 -2.195 18733 2294 1 7 . 1 1 22 22 ASN HA H 22 4.550 4.550 4.718 -0.168 18733 2295 1 7 . 1 1 22 22 ASN CA C 22 53.545 53.545 53.242 0.303 18733 2296 1 7 . 1 1 22 22 ASN CB C 22 39.752 39.752 38.684 1.068 18733 2297 1 7 . 1 1 23 23 GLN N N 23 117.002 117.002 119.677 -2.675 18733 2298 1 7 . 1 1 23 23 GLN HA H 23 4.121 4.121 4.348 -0.227 18733 2299 1 7 . 1 1 23 23 GLN CA C 23 56.336 56.336 55.275 1.061 18733 2300 1 7 . 1 1 23 23 GLN CB C 23 28.367 28.367 26.631 1.736 18733 2301 1 7 . 1 1 24 24 ASN N N 24 117.868 117.868 118.180 -0.312 18733 2302 1 7 . 1 1 24 24 ASN HA H 24 4.554 4.554 4.919 -0.365 18733 2303 1 7 . 1 1 24 24 ASN CA C 24 53.550 53.550 53.056 0.494 18733 2304 1 7 . 1 1 24 24 ASN CB C 24 38.856 38.856 40.924 -2.068 18733 2305 1 7 . 1 1 25 25 THR N N 25 115.612 115.612 115.912 -0.300 18733 2306 1 7 . 1 1 25 25 THR HA H 25 4.193 4.193 4.381 -0.188 18733 2307 1 7 . 1 1 25 25 THR CA C 25 63.026 63.026 63.003 0.023 18733 2308 1 7 . 1 1 25 25 THR CB C 25 69.388 69.388 69.241 0.147 18733 2309 1 7 . 1 1 26 26 GLU N N 26 119.600 119.600 119.922 -0.322 18733 2310 1 7 . 1 1 26 26 GLU HA H 26 4.213 4.213 4.224 -0.011 18733 2311 1 7 . 1 1 26 26 GLU CA C 26 56.803 56.803 57.264 -0.461 18733 2312 1 7 . 1 1 26 26 GLU CB C 26 29.566 29.566 29.267 0.299 18733 2313 1 7 . 1 1 27 27 ILE N N 27 118.383 118.383 121.806 -3.423 18733 2314 1 7 . 1 1 27 27 ILE HA H 27 4.320 4.320 4.121 0.199 18733 2315 1 7 . 1 1 27 27 ILE CA C 27 59.638 59.638 60.859 -1.221 18733 2316 1 7 . 1 1 27 27 ILE CB C 27 39.531 39.531 38.455 1.076 18733 2317 1 7 . 1 1 28 28 GLN N N 28 122.321 122.321 124.055 -1.734 18733 2318 1 7 . 1 1 28 28 GLN HA H 28 4.593 4.593 4.405 0.188 18733 2319 1 7 . 1 1 28 28 GLN CA C 28 54.684 54.684 55.539 -0.855 18733 2320 1 7 . 1 1 28 28 GLN CB C 28 30.183 30.183 29.766 0.417 18733 2321 1 7 . 1 1 29 29 THR N N 29 119.517 119.517 118.107 1.410 18733 2322 1 7 . 1 1 29 29 THR HA H 29 3.916 3.916 4.027 -0.111 18733 2323 1 7 . 1 1 29 29 THR CA C 29 65.895 65.895 66.389 -0.494 18733 2324 1 7 . 1 1 29 29 THR CB C 29 68.708 68.708 68.289 0.419 18733 2325 1 7 . 1 1 30 30 GLY N N 30 109.285 109.285 108.955 0.330 18733 2326 1 7 . 1 1 30 30 GLY CA C 30 47.126 47.126 46.560 0.566 18733 2327 1 7 . 1 1 31 31 GLU N N 31 120.940 120.940 121.630 -0.690 18733 2328 1 7 . 1 1 31 31 GLU HA H 31 4.259 4.259 4.108 0.151 18733 2329 1 7 . 1 1 31 31 GLU CA C 31 59.424 59.424 59.046 0.378 18733 2330 1 7 . 1 1 31 31 GLU CB C 31 29.410 29.410 29.407 0.003 18733 2331 1 7 . 1 1 32 32 VAL N N 32 122.718 122.718 119.313 3.405 18733 2332 1 7 . 1 1 32 32 VAL HA H 32 3.568 3.568 3.870 -0.302 18733 2333 1 7 . 1 1 32 32 VAL CA C 32 66.122 66.122 65.192 0.930 18733 2334 1 7 . 1 1 32 32 VAL CB C 32 31.157 31.157 32.047 -0.890 18733 2335 1 7 . 1 1 33 33 SER N N 33 114.886 114.886 116.913 -2.027 18733 2336 1 7 . 1 1 33 33 SER HA H 33 4.112 4.112 4.093 0.019 18733 2337 1 7 . 1 1 33 33 SER CA C 33 62.119 62.119 61.836 0.283 18733 2338 1 7 . 1 1 33 33 SER CB C 33 63.293 63.293 63.032 0.261 18733 2339 1 7 . 1 1 34 34 ALA N N 34 121.240 121.240 122.835 -1.595 18733 2340 1 7 . 1 1 34 34 ALA HA H 34 4.505 4.505 4.274 0.231 18733 2341 1 7 . 1 1 34 34 ALA CA C 34 55.790 55.790 54.897 0.893 18733 2342 1 7 . 1 1 34 34 ALA CB C 34 18.845 18.845 18.369 0.476 18733 2343 1 7 . 1 1 35 35 SER N N 35 111.131 111.131 116.064 -4.933 18733 2344 1 7 . 1 1 35 35 SER HA H 35 3.420 3.420 4.322 -0.902 18733 2345 1 7 . 1 1 35 35 SER CA C 35 61.316 61.316 62.142 -0.826 18733 2346 1 7 . 1 1 35 35 SER CB C 35 62.547 62.547 63.125 -0.578 18733 2347 1 7 . 1 1 36 36 PHE N N 36 127.676 127.676 122.966 4.710 18733 2348 1 7 . 1 1 36 36 PHE HA H 36 4.490 4.490 4.258 0.232 18733 2349 1 7 . 1 1 36 36 PHE CA C 36 57.592 57.592 61.392 -3.800 18733 2350 1 7 . 1 1 36 36 PHE CB C 36 38.111 38.111 39.421 -1.310 18733 2351 1 7 . 1 1 37 37 MET N N 37 119.851 119.851 120.228 -0.377 18733 2352 1 7 . 1 1 37 37 MET HA H 37 3.859 3.859 4.154 -0.295 18733 2353 1 7 . 1 1 37 37 MET CA C 37 59.444 59.444 59.543 -0.099 18733 2354 1 7 . 1 1 37 37 MET CB C 37 33.517 33.517 32.730 0.787 18733 2355 1 7 . 1 1 38 38 TRP N N 38 121.153 121.153 121.025 0.128 18733 2356 1 7 . 1 1 38 38 TRP HA H 38 3.981 3.981 4.233 -0.252 18733 2357 1 7 . 1 1 38 38 TRP CA C 38 62.129 62.129 60.413 1.716 18733 2358 1 7 . 1 1 38 38 TRP CB C 38 29.930 29.930 29.804 0.126 18733 2359 1 7 . 1 1 39 39 ALA N N 39 119.518 119.518 121.932 -2.414 18733 2360 1 7 . 1 1 39 39 ALA HA H 39 3.880 3.880 3.900 -0.020 18733 2361 1 7 . 1 1 39 39 ALA CA C 39 55.231 55.231 54.754 0.477 18733 2362 1 7 . 1 1 39 39 ALA CB C 39 20.477 20.477 17.847 2.630 18733 2363 1 7 . 1 1 40 40 LEU N N 40 116.794 116.794 119.911 -3.117 18733 2364 1 7 . 1 1 40 40 LEU HA H 40 2.741 2.741 3.891 -1.150 18733 2365 1 7 . 1 1 40 40 LEU CA C 40 56.979 56.979 57.025 -0.046 18733 2366 1 7 . 1 1 40 40 LEU CB C 40 40.563 40.563 41.304 -0.741 18733 2367 1 7 . 1 1 41 41 ALA N N 41 120.249 120.249 122.292 -2.043 18733 2368 1 7 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.845 -0.182 18733 2369 1 7 . 1 1 41 41 ALA CA C 41 54.943 54.943 55.178 -0.235 18733 2370 1 7 . 1 1 41 41 ALA CB C 41 17.512 17.512 17.917 -0.405 18733 2371 1 7 . 1 1 42 42 ARG N N 42 118.787 118.787 117.619 1.168 18733 2372 1 7 . 1 1 42 42 ARG HA H 42 3.315 3.315 3.815 -0.500 18733 2373 1 7 . 1 1 42 42 ARG CA C 42 60.027 60.027 59.031 0.997 18733 2374 1 7 . 1 1 42 42 ARG CB C 42 29.084 29.084 30.092 -1.008 18733 2375 1 7 . 1 1 43 43 TYR N N 43 122.429 122.429 119.100 3.329 18733 2376 1 7 . 1 1 43 43 TYR HA H 43 3.956 3.956 4.365 -0.409 18733 2377 1 7 . 1 1 43 43 TYR CA C 43 63.225 63.225 61.153 2.072 18733 2378 1 7 . 1 1 43 43 TYR CB C 43 39.819 39.819 38.864 0.955 18733 2379 1 7 . 1 1 44 44 ASN N N 44 116.736 116.736 118.071 -1.335 18733 2380 1 7 . 1 1 44 44 ASN HA H 44 4.170 4.170 4.556 -0.386 18733 2381 1 7 . 1 1 44 44 ASN CA C 44 56.267 56.267 55.517 0.750 18733 2382 1 7 . 1 1 44 44 ASN CB C 44 37.894 37.894 38.040 -0.146 18733 2383 1 7 . 1 1 45 45 ALA N N 45 124.950 124.950 121.994 2.956 18733 2384 1 7 . 1 1 45 45 ALA HA H 45 3.862 3.862 4.337 -0.475 18733 2385 1 7 . 1 1 45 45 ALA CA C 45 55.465 55.465 53.975 1.490 18733 2386 1 7 . 1 1 45 45 ALA CB C 45 18.587 18.587 18.088 0.499 18733 2387 1 7 . 1 1 46 46 TRP N N 46 119.686 119.686 120.979 -1.293 18733 2388 1 7 . 1 1 46 46 TRP HA H 46 2.849 2.849 4.338 -1.489 18733 2389 1 7 . 1 1 46 46 TRP CA C 46 60.783 60.783 58.129 2.654 18733 2390 1 7 . 1 1 46 46 TRP CB C 46 26.470 26.470 28.793 -2.323 18733 2391 1 7 . 1 1 47 47 PHE N N 47 121.090 121.090 116.390 4.700 18733 2392 1 7 . 1 1 47 47 PHE HA H 47 2.939 2.939 4.459 -1.520 18733 2393 1 7 . 1 1 47 47 PHE CA C 47 59.116 59.116 58.982 0.134 18733 2394 1 7 . 1 1 47 47 PHE CB C 47 38.212 38.212 39.398 -1.186 18733 2395 1 7 . 1 1 48 48 GLY N N 48 109.386 109.386 107.680 1.706 18733 2396 1 7 . 1 1 48 48 GLY CA C 48 47.209 47.209 46.752 0.457 18733 2397 1 7 . 1 1 49 49 SER N N 49 118.098 118.098 113.171 4.927 18733 2398 1 7 . 1 1 49 49 SER CA C 49 62.016 62.016 59.324 2.692 18733 2399 1 7 . 1 1 49 49 SER CB C 49 63.411 63.411 63.202 0.209 18733 2400 1 7 . 1 1 50 50 THR N N 50 110.801 110.801 114.470 -3.669 18733 2401 1 7 . 1 1 50 50 THR HA H 50 3.851 3.851 4.584 -0.733 18733 2402 1 7 . 1 1 50 50 THR CA C 50 63.914 63.914 61.477 2.437 18733 2403 1 7 . 1 1 50 50 THR CB C 50 69.676 69.676 69.353 0.323 18733 2404 1 7 . 1 1 51 51 SER N N 51 115.249 115.249 118.656 -3.407 18733 2405 1 7 . 1 1 51 51 SER HA H 51 3.990 3.990 4.341 -0.351 18733 2406 1 7 . 1 1 51 51 SER CA C 51 59.360 59.360 61.434 -2.074 18733 2407 1 7 . 1 1 51 51 SER CB C 51 63.142 63.142 63.847 -0.705 18733 2408 1 7 . 1 1 52 52 PHE N N 52 118.004 118.004 117.980 0.024 18733 2409 1 7 . 1 1 52 52 PHE HA H 52 4.861 4.861 4.745 0.116 18733 2410 1 7 . 1 1 52 52 PHE CA C 52 57.045 57.045 56.784 0.261 18733 2411 1 7 . 1 1 52 52 PHE CB C 52 42.165 42.165 42.325 -0.160 18733 2412 1 7 . 1 1 53 53 GLU N N 53 119.224 119.224 118.554 0.670 18733 2413 1 7 . 1 1 53 53 GLU HA H 53 4.415 4.415 4.316 0.099 18733 2414 1 7 . 1 1 53 53 GLU CA C 53 57.653 57.653 57.065 0.589 18733 2415 1 7 . 1 1 53 53 GLU CB C 53 31.679 31.679 30.135 1.544 18733 2416 1 7 . 1 1 54 54 THR N N 54 105.230 105.230 109.590 -4.360 18733 2417 1 7 . 1 1 54 54 THR HA H 54 4.529 4.529 4.693 -0.164 18733 2418 1 7 . 1 1 54 54 THR CA C 54 58.360 58.360 59.772 -1.412 18733 2419 1 7 . 1 1 54 54 THR CB C 54 73.366 73.366 72.121 1.245 18733 2420 1 7 . 1 1 55 55 LYS N N 55 122.509 122.509 123.190 -0.681 18733 2421 1 7 . 1 1 55 55 LYS HA H 55 2.752 2.752 4.112 -1.360 18733 2422 1 7 . 1 1 55 55 LYS CA C 55 58.567 58.567 59.195 -0.628 18733 2423 1 7 . 1 1 55 55 LYS CB C 55 32.829 32.829 31.768 1.061 18733 2424 1 7 . 1 1 56 56 GLU N N 56 117.867 117.867 118.341 -0.474 18733 2425 1 7 . 1 1 56 56 GLU HA H 56 3.785 3.785 4.059 -0.274 18733 2426 1 7 . 1 1 56 56 GLU CA C 56 60.334 60.334 59.208 1.126 18733 2427 1 7 . 1 1 56 56 GLU CB C 56 28.185 28.185 28.797 -0.612 18733 2428 1 7 . 1 1 57 57 GLN N N 57 119.487 119.487 116.793 2.694 18733 2429 1 7 . 1 1 57 57 GLN HA H 57 3.788 3.788 4.075 -0.287 18733 2430 1 7 . 1 1 57 57 GLN CA C 57 58.056 58.056 57.414 0.642 18733 2431 1 7 . 1 1 57 57 GLN CB C 57 28.577 28.577 29.054 -0.477 18733 2432 1 7 . 1 1 58 58 MET N N 58 118.284 118.284 120.077 -1.793 18733 2433 1 7 . 1 1 58 58 MET HA H 58 2.029 2.029 4.078 -2.049 18733 2434 1 7 . 1 1 58 58 MET CA C 58 58.862 58.862 59.191 -0.329 18733 2435 1 7 . 1 1 58 58 MET CB C 58 30.814 30.814 32.780 -1.966 18733 2436 1 7 . 1 1 59 59 GLN N N 59 116.663 116.663 119.473 -2.810 18733 2437 1 7 . 1 1 59 59 GLN HA H 59 3.578 3.578 3.985 -0.407 18733 2438 1 7 . 1 1 59 59 GLN CA C 59 59.361 59.361 58.934 0.428 18733 2439 1 7 . 1 1 59 59 GLN CB C 59 28.975 28.975 28.658 0.317 18733 2440 1 7 . 1 1 60 60 ALA N N 60 119.084 119.084 119.873 -0.789 18733 2441 1 7 . 1 1 60 60 ALA HA H 60 4.028 4.028 4.179 -0.151 18733 2442 1 7 . 1 1 60 60 ALA CA C 60 54.245 54.245 54.334 -0.089 18733 2443 1 7 . 1 1 60 60 ALA CB C 60 18.161 18.161 18.090 0.071 18733 2444 1 7 . 1 1 61 61 LYS N N 61 115.215 115.215 117.000 -1.785 18733 2445 1 7 . 1 1 61 61 LYS HA H 61 4.517 4.517 4.408 0.109 18733 2446 1 7 . 1 1 61 61 LYS CA C 61 54.188 54.188 55.708 -1.520 18733 2447 1 7 . 1 1 61 61 LYS CB C 61 33.239 33.239 31.902 1.337 18733 2448 1 7 . 1 1 62 62 LYS N N 62 122.199 122.199 119.472 2.727 18733 2449 1 7 . 1 1 62 62 LYS HA H 62 3.582 3.582 3.978 -0.396 18733 2450 1 7 . 1 1 62 62 LYS CA C 62 61.271 61.271 59.807 1.464 18733 2451 1 7 . 1 1 62 62 LYS CB C 62 33.052 33.052 31.558 1.494 18733 2452 1 7 . 1 1 63 63 GLN N N 63 117.101 117.101 117.608 -0.507 18733 2453 1 7 . 1 1 63 63 GLN HA H 63 3.767 3.767 4.201 -0.434 18733 2454 1 7 . 1 1 63 63 GLN CA C 63 58.948 58.948 57.540 1.408 18733 2455 1 7 . 1 1 63 63 GLN CB C 63 27.823 27.823 28.249 -0.426 18733 2456 1 7 . 1 1 64 64 GLU N N 64 119.459 119.459 117.532 1.927 18733 2457 1 7 . 1 1 64 64 GLU HA H 64 4.035 4.035 4.189 -0.154 18733 2458 1 7 . 1 1 64 64 GLU CA C 64 59.672 59.672 58.149 1.523 18733 2459 1 7 . 1 1 64 64 GLU CB C 64 29.755 29.755 29.732 0.023 18733 2460 1 7 . 1 1 65 65 MET N N 65 118.493 118.493 115.561 2.932 18733 2461 1 7 . 1 1 65 65 MET HA H 65 4.077 4.077 4.390 -0.313 18733 2462 1 7 . 1 1 65 65 MET CA C 65 59.488 59.488 58.015 1.473 18733 2463 1 7 . 1 1 65 65 MET CB C 65 34.335 34.335 33.258 1.077 18733 2464 1 7 . 1 1 66 66 MET N N 66 117.848 117.848 118.227 -0.379 18733 2465 1 7 . 1 1 66 66 MET HA H 66 4.127 4.127 4.070 0.057 18733 2466 1 7 . 1 1 66 66 MET CA C 66 59.790 59.790 57.501 2.289 18733 2467 1 7 . 1 1 66 66 MET CB C 66 31.196 31.196 32.310 -1.114 18733 2468 1 7 . 1 1 67 67 ASP N N 67 118.987 118.987 120.274 -1.287 18733 2469 1 7 . 1 1 67 67 ASP HA H 67 4.283 4.283 4.331 -0.048 18733 2470 1 7 . 1 1 67 67 ASP CA C 67 57.892 57.892 57.463 0.429 18733 2471 1 7 . 1 1 67 67 ASP CB C 67 39.885 39.885 40.976 -1.091 18733 2472 1 7 . 1 1 68 68 TYR N N 68 119.790 119.790 112.729 7.061 18733 2473 1 7 . 1 1 68 68 TYR HA H 68 4.118 4.118 4.798 -0.680 18733 2474 1 7 . 1 1 68 68 TYR CA C 68 61.588 61.588 56.087 5.501 18733 2475 1 7 . 1 1 68 68 TYR CB C 68 37.806 37.806 38.164 -0.358 18733 2476 1 7 . 1 1 69 69 TYR N N 69 118.552 118.552 120.470 -1.918 18733 2477 1 7 . 1 1 69 69 TYR HA H 69 4.057 4.057 3.815 0.242 18733 2478 1 7 . 1 1 69 69 TYR CA C 69 62.536 62.536 59.545 2.991 18733 2479 1 7 . 1 1 69 69 TYR CB C 69 37.582 37.582 37.698 -0.116 18733 2480 1 7 . 1 1 70 70 MET N N 70 117.939 117.939 117.896 0.043 18733 2481 1 7 . 1 1 70 70 MET HA H 70 4.489 4.489 4.164 0.325 18733 2482 1 7 . 1 1 70 70 MET CA C 70 58.947 58.947 58.798 0.149 18733 2483 1 7 . 1 1 70 70 MET CB C 70 31.380 31.380 32.283 -0.903 18733 2484 1 7 . 1 1 71 71 ASP N N 71 120.118 120.118 115.192 4.926 18733 2485 1 7 . 1 1 71 71 ASP HA H 71 4.390 4.390 4.731 -0.341 18733 2486 1 7 . 1 1 71 71 ASP CA C 71 57.730 57.730 54.585 3.145 18733 2487 1 7 . 1 1 71 71 ASP CB C 71 40.050 40.050 40.980 -0.930 18733 2488 1 7 . 1 1 72 72 ARG N N 72 118.091 118.091 118.876 -0.785 18733 2489 1 7 . 1 1 72 72 ARG HA H 72 4.107 4.107 4.418 -0.311 18733 2490 1 7 . 1 1 72 72 ARG CA C 72 58.260 58.260 57.362 0.898 18733 2491 1 7 . 1 1 72 72 ARG CB C 72 31.091 31.091 30.991 0.100 18733 2492 1 7 . 1 1 73 73 TYR N N 73 121.878 121.878 117.375 4.503 18733 2493 1 7 . 1 1 73 73 TYR HA H 73 4.178 4.178 4.778 -0.600 18733 2494 1 7 . 1 1 73 73 TYR CA C 73 61.440 61.440 54.932 6.508 18733 2495 1 7 . 1 1 73 73 TYR CB C 73 38.677 38.677 37.411 1.266 18733 2496 1 7 . 1 1 74 74 LYS N N 74 119.791 119.791 122.785 -2.994 18733 2497 1 7 . 1 1 74 74 LYS HA H 74 3.564 3.564 3.709 -0.145 18733 2498 1 7 . 1 1 74 74 LYS CA C 74 60.621 60.621 60.547 0.074 18733 2499 1 7 . 1 1 74 74 LYS CB C 74 32.225 32.225 32.182 0.043 18733 2500 1 7 . 1 1 75 75 GLU N N 75 116.140 116.140 117.759 -1.619 18733 2501 1 7 . 1 1 75 75 GLU HA H 75 4.004 4.004 4.048 -0.044 18733 2502 1 7 . 1 1 75 75 GLU CA C 75 59.293 59.293 58.809 0.484 18733 2503 1 7 . 1 1 75 75 GLU CB C 75 29.627 29.627 28.690 0.937 18733 2504 1 7 . 1 1 76 76 MET N N 76 119.200 119.200 118.811 0.389 18733 2505 1 7 . 1 1 76 76 MET HA H 76 4.250 4.250 4.207 0.043 18733 2506 1 7 . 1 1 76 76 MET CA C 76 60.058 60.058 58.560 1.498 18733 2507 1 7 . 1 1 76 76 MET CB C 76 32.751 32.751 32.580 0.171 18733 2508 1 7 . 1 1 77 77 LEU N N 77 125.191 125.191 120.458 4.733 18733 2509 1 7 . 1 1 77 77 LEU HA H 77 3.703 3.703 4.010 -0.307 18733 2510 1 7 . 1 1 77 77 LEU CA C 77 58.589 58.589 56.967 1.622 18733 2511 1 7 . 1 1 77 77 LEU CB C 77 41.650 41.650 42.236 -0.586 18733 2512 1 7 . 1 1 78 78 ASP N N 78 119.843 119.843 120.616 -0.773 18733 2513 1 7 . 1 1 78 78 ASP HA H 78 4.177 4.177 4.338 -0.161 18733 2514 1 7 . 1 1 78 78 ASP CA C 78 58.584 58.584 56.999 1.585 18733 2515 1 7 . 1 1 78 78 ASP CB C 78 42.352 42.352 40.843 1.509 18733 2516 1 7 . 1 1 79 79 ALA N N 79 117.168 117.168 118.405 -1.237 18733 2517 1 7 . 1 1 79 79 ALA HA H 79 4.077 4.077 4.245 -0.168 18733 2518 1 7 . 1 1 79 79 ALA CA C 79 55.317 55.317 53.292 2.025 18733 2519 1 7 . 1 1 79 79 ALA CB C 79 18.335 18.335 19.205 -0.870 18733 2520 1 7 . 1 1 80 80 ASN N N 80 115.882 115.882 115.670 0.212 18733 2521 1 7 . 1 1 80 80 ASN HA H 80 4.416 4.416 4.864 -0.448 18733 2522 1 7 . 1 1 80 80 ASN CA C 80 57.791 57.791 53.281 4.510 18733 2523 1 7 . 1 1 80 80 ASN CB C 80 40.251 40.251 39.551 0.700 18733 2524 1 7 . 1 1 81 81 MET N N 81 120.945 120.945 119.401 1.544 18733 2525 1 7 . 1 1 81 81 MET HA H 81 4.129 4.129 4.435 -0.306 18733 2526 1 7 . 1 1 81 81 MET CA C 81 58.954 58.954 55.609 3.345 18733 2527 1 7 . 1 1 81 81 MET CB C 81 31.937 31.937 32.652 -0.715 18733 2528 1 7 . 1 1 82 82 GLU N N 82 116.578 116.578 113.555 3.023 18733 2529 1 7 . 1 1 82 82 GLU HA H 82 3.979 3.979 3.996 -0.017 18733 2530 1 7 . 1 1 82 82 GLU CA C 82 59.214 59.214 58.010 1.204 18733 2531 1 7 . 1 1 82 82 GLU CB C 82 29.207 29.207 28.412 0.795 18733 2532 1 7 . 1 1 83 83 ASP N N 83 119.199 119.199 119.484 -0.285 18733 2533 1 7 . 1 1 83 83 ASP HA H 83 4.399 4.399 4.310 0.089 18733 2534 1 7 . 1 1 83 83 ASP CA C 83 57.554 57.554 57.251 0.303 18733 2535 1 7 . 1 1 83 83 ASP CB C 83 42.088 42.088 40.970 1.118 18733 2536 1 7 . 1 1 84 84 TYR N N 84 117.904 117.904 116.868 1.036 18733 2537 1 7 . 1 1 84 84 TYR HA H 84 3.931 3.931 4.642 -0.711 18733 2538 1 7 . 1 1 84 84 TYR CA C 84 63.663 63.663 59.806 3.857 18733 2539 1 7 . 1 1 84 84 TYR CB C 84 39.134 39.134 38.193 0.941 18733 2540 1 7 . 1 1 85 85 ILE N N 85 116.362 116.362 118.987 -2.625 18733 2541 1 7 . 1 1 85 85 ILE HA H 85 3.752 3.752 3.847 -0.095 18733 2542 1 7 . 1 1 85 85 ILE CA C 85 66.287 66.287 63.935 2.352 18733 2543 1 7 . 1 1 85 85 ILE CB C 85 38.815 38.815 37.981 0.834 18733 2544 1 7 . 1 1 86 86 GLU N N 86 117.696 117.696 118.799 -1.103 18733 2545 1 7 . 1 1 86 86 GLU HA H 86 3.896 3.896 4.177 -0.281 18733 2546 1 7 . 1 1 86 86 GLU CA C 86 59.290 59.290 59.024 0.266 18733 2547 1 7 . 1 1 86 86 GLU CB C 86 29.660 29.660 29.291 0.369 18733 2548 1 7 . 1 1 87 87 ASN N N 87 113.943 113.943 116.697 -2.754 18733 2549 1 7 . 1 1 87 87 ASN HA H 87 4.933 4.933 4.871 0.062 18733 2550 1 7 . 1 1 87 87 ASN CA C 87 52.462 52.462 53.483 -1.021 18733 2551 1 7 . 1 1 87 87 ASN CB C 87 38.847 38.847 39.429 -0.582 18733 2552 1 7 . 1 1 88 88 PHE N N 88 123.733 123.733 122.595 1.138 18733 2553 1 7 . 1 1 88 88 PHE HA H 88 4.141 4.141 4.435 -0.294 18733 2554 1 7 . 1 1 88 88 PHE CA C 88 63.888 63.888 62.476 1.412 18733 2555 1 7 . 1 1 88 88 PHE CB C 88 41.768 41.768 39.363 2.405 18733 2556 1 7 . 1 1 89 89 ASP N N 89 117.257 117.257 118.153 -0.896 18733 2557 1 7 . 1 1 89 89 ASP HA H 89 4.386 4.386 4.160 0.226 18733 2558 1 7 . 1 1 89 89 ASP CA C 89 57.468 57.468 57.923 -0.455 18733 2559 1 7 . 1 1 89 89 ASP CB C 89 39.886 39.886 40.199 -0.312 18733 2560 1 7 . 1 1 90 90 HIS N N 90 121.385 121.385 119.546 1.839 18733 2561 1 7 . 1 1 90 90 HIS HA H 90 4.294 4.294 4.193 0.101 18733 2562 1 7 . 1 1 90 90 HIS CA C 90 59.081 59.081 59.396 -0.315 18733 2563 1 7 . 1 1 90 90 HIS CB C 90 29.949 29.949 30.060 -0.111 18733 2564 1 7 . 1 1 91 91 TYR N N 91 118.440 118.440 118.377 0.063 18733 2565 1 7 . 1 1 91 91 TYR HA H 91 4.192 4.192 4.622 -0.430 18733 2566 1 7 . 1 1 91 91 TYR CA C 91 59.618 59.618 61.044 -1.426 18733 2567 1 7 . 1 1 91 91 TYR CB C 91 36.860 36.860 38.228 -1.368 18733 2568 1 7 . 1 1 92 92 ARG N N 92 119.028 119.028 116.078 2.950 18733 2569 1 7 . 1 1 92 92 ARG HA H 92 4.023 4.023 3.952 0.071 18733 2570 1 7 . 1 1 92 92 ARG CA C 92 57.308 57.308 56.458 0.850 18733 2571 1 7 . 1 1 92 92 ARG CB C 92 29.129 29.129 29.976 -0.847 18733 2572 1 7 . 1 1 93 93 ALA N N 93 120.513 120.513 121.358 -0.845 18733 2573 1 7 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.303 -0.092 18733 2574 1 7 . 1 1 93 93 ALA CA C 93 53.603 53.603 53.825 -0.222 18733 2575 1 7 . 1 1 93 93 ALA CB C 93 18.864 18.864 19.552 -0.688 18733 2576 1 7 . 1 1 94 94 THR N N 94 108.668 108.668 112.630 -3.962 18733 2577 1 7 . 1 1 94 94 THR HA H 94 4.249 4.249 4.252 -0.003 18733 2578 1 7 . 1 1 94 94 THR CA C 94 62.170 62.170 61.529 0.641 18733 2579 1 7 . 1 1 94 94 THR CB C 94 70.164 70.164 68.927 1.237 18733 2580 1 7 . 1 1 95 95 GLN N N 95 122.873 122.873 118.017 4.856 18733 2581 1 7 . 1 1 95 95 GLN HA H 95 4.288 4.288 4.254 0.034 18733 2582 1 7 . 1 1 95 95 GLN CA C 95 56.073 56.073 55.702 0.371 18733 2583 1 7 . 1 1 95 95 GLN CB C 95 28.903 28.903 29.561 -0.658 18733 2584 1 8 . 1 1 2 2 ASN HA H 2 4.590 4.590 4.581 0.009 18733 2585 1 8 . 1 1 2 2 ASN CA C 2 53.554 53.554 53.795 -0.241 18733 2586 1 8 . 1 1 2 2 ASN CB C 2 38.650 38.650 38.400 0.251 18733 2587 1 8 . 1 1 3 3 ASN HA H 3 4.526 4.526 5.195 -0.669 18733 2588 1 8 . 1 1 3 3 ASN CA C 3 53.720 53.720 52.684 1.036 18733 2589 1 8 . 1 1 3 3 ASN CB C 3 38.473 38.473 40.089 -1.616 18733 2590 1 8 . 1 1 4 4 GLU N N 4 121.638 121.638 124.107 -2.469 18733 2591 1 8 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.159 -0.073 18733 2592 1 8 . 1 1 4 4 GLU CA C 4 57.656 57.656 59.149 -1.493 18733 2593 1 8 . 1 1 4 4 GLU CB C 4 29.649 29.649 30.112 -0.463 18733 2594 1 8 . 1 1 5 5 ASN N N 5 118.543 118.543 115.746 2.797 18733 2595 1 8 . 1 1 5 5 ASN HA H 5 4.531 4.531 4.713 -0.182 18733 2596 1 8 . 1 1 5 5 ASN CA C 5 55.114 55.114 53.181 1.933 18733 2597 1 8 . 1 1 5 5 ASN CB C 5 38.417 38.417 40.133 -1.716 18733 2598 1 8 . 1 1 6 6 ALA N N 6 123.531 123.531 122.658 0.873 18733 2599 1 8 . 1 1 6 6 ALA HA H 6 4.057 4.057 3.785 0.272 18733 2600 1 8 . 1 1 6 6 ALA CA C 6 55.266 55.266 51.028 4.238 18733 2601 1 8 . 1 1 6 6 ALA CB C 6 18.099 18.099 19.058 -0.959 18733 2602 1 8 . 1 1 7 7 PHE N N 7 119.588 119.588 117.974 1.614 18733 2603 1 8 . 1 1 7 7 PHE HA H 7 3.777 3.777 4.521 -0.744 18733 2604 1 8 . 1 1 7 7 PHE CA C 7 61.179 61.179 54.670 6.509 18733 2605 1 8 . 1 1 7 7 PHE CB C 7 38.947 38.947 35.697 3.251 18733 2606 1 8 . 1 1 8 8 TYR N N 8 116.300 116.300 123.324 -7.024 18733 2607 1 8 . 1 1 8 8 TYR HA H 8 4.007 4.007 4.120 -0.113 18733 2608 1 8 . 1 1 8 8 TYR CA C 8 61.117 61.117 62.553 -1.436 18733 2609 1 8 . 1 1 8 8 TYR CB C 8 37.370 37.370 36.780 0.590 18733 2610 1 8 . 1 1 9 9 ALA N N 9 124.516 124.516 118.222 6.294 18733 2611 1 8 . 1 1 9 9 ALA HA H 9 4.074 4.074 4.201 -0.127 18733 2612 1 8 . 1 1 9 9 ALA CA C 9 55.415 55.415 53.870 1.545 18733 2613 1 8 . 1 1 9 9 ALA CB C 9 17.797 17.797 18.227 -0.430 18733 2614 1 8 . 1 1 10 10 ARG N N 10 118.255 118.255 118.845 -0.590 18733 2615 1 8 . 1 1 10 10 ARG HA H 10 3.857 3.857 4.240 -0.383 18733 2616 1 8 . 1 1 10 10 ARG CA C 10 60.070 60.070 58.415 1.655 18733 2617 1 8 . 1 1 10 10 ARG CB C 10 31.179 31.179 30.819 0.360 18733 2618 1 8 . 1 1 11 11 ALA N N 11 119.258 119.258 122.473 -3.215 18733 2619 1 8 . 1 1 11 11 ALA HA H 11 4.079 4.079 4.064 0.015 18733 2620 1 8 . 1 1 11 11 ALA CA C 11 55.152 55.152 55.038 0.115 18733 2621 1 8 . 1 1 11 11 ALA CB C 11 19.072 19.072 17.957 1.115 18733 2622 1 8 . 1 1 12 12 THR N N 12 114.669 114.669 112.578 2.091 18733 2623 1 8 . 1 1 12 12 THR HA H 12 3.761 3.761 4.033 -0.272 18733 2624 1 8 . 1 1 12 12 THR CA C 12 67.028 67.028 65.814 1.214 18733 2625 1 8 . 1 1 12 12 THR CB C 12 68.661 68.661 68.600 0.061 18733 2626 1 8 . 1 1 13 13 GLU N N 13 120.838 120.838 121.054 -0.216 18733 2627 1 8 . 1 1 13 13 GLU HA H 13 3.782 3.782 4.206 -0.424 18733 2628 1 8 . 1 1 13 13 GLU CA C 13 59.781 59.781 58.710 1.071 18733 2629 1 8 . 1 1 13 13 GLU CB C 13 29.713 29.713 29.637 0.076 18733 2630 1 8 . 1 1 14 14 LEU N N 14 119.831 119.831 120.968 -1.137 18733 2631 1 8 . 1 1 14 14 LEU HA H 14 3.616 3.616 4.183 -0.567 18733 2632 1 8 . 1 1 14 14 LEU CA C 14 58.363 58.363 57.948 0.415 18733 2633 1 8 . 1 1 14 14 LEU CB C 14 42.109 42.109 41.356 0.753 18733 2634 1 8 . 1 1 15 15 ILE N N 15 119.150 119.150 117.772 1.378 18733 2635 1 8 . 1 1 15 15 ILE HA H 15 3.376 3.376 3.497 -0.121 18733 2636 1 8 . 1 1 15 15 ILE CA C 15 66.274 66.274 65.233 1.041 18733 2637 1 8 . 1 1 15 15 ILE CB C 15 38.343 38.343 37.323 1.020 18733 2638 1 8 . 1 1 16 16 LYS N N 16 118.734 118.734 120.375 -1.641 18733 2639 1 8 . 1 1 16 16 LYS HA H 16 3.808 3.808 4.034 -0.226 18733 2640 1 8 . 1 1 16 16 LYS CA C 16 59.950 59.950 59.078 0.872 18733 2641 1 8 . 1 1 16 16 LYS CB C 16 32.109 32.109 32.041 0.068 18733 2642 1 8 . 1 1 17 17 LEU N N 17 121.376 121.376 120.154 1.222 18733 2643 1 8 . 1 1 17 17 LEU HA H 17 4.017 4.017 4.166 -0.149 18733 2644 1 8 . 1 1 17 17 LEU CA C 17 57.733 57.733 57.673 0.060 18733 2645 1 8 . 1 1 17 17 LEU CB C 17 40.385 40.385 41.183 -0.798 18733 2646 1 8 . 1 1 18 18 ALA N N 18 123.298 123.298 121.445 1.853 18733 2647 1 8 . 1 1 18 18 ALA HA H 18 3.547 3.547 4.006 -0.459 18733 2648 1 8 . 1 1 18 18 ALA CA C 18 55.031 55.031 55.026 0.005 18733 2649 1 8 . 1 1 18 18 ALA CB C 18 17.716 17.716 18.383 -0.667 18733 2650 1 8 . 1 1 19 19 ASN N N 19 114.581 114.581 116.013 -1.432 18733 2651 1 8 . 1 1 19 19 ASN HA H 19 4.504 4.504 4.414 0.090 18733 2652 1 8 . 1 1 19 19 ASN CA C 19 55.633 55.633 56.119 -0.486 18733 2653 1 8 . 1 1 19 19 ASN CB C 19 37.683 37.683 38.452 -0.769 18733 2654 1 8 . 1 1 20 20 GLN N N 20 122.054 122.054 117.523 4.531 18733 2655 1 8 . 1 1 20 20 GLN HA H 20 3.959 3.959 4.256 -0.297 18733 2656 1 8 . 1 1 20 20 GLN CA C 20 58.913 58.913 57.861 1.052 18733 2657 1 8 . 1 1 20 20 GLN CB C 20 28.293 28.293 28.622 -0.329 18733 2658 1 8 . 1 1 21 21 GLN N N 21 120.962 120.962 117.088 3.874 18733 2659 1 8 . 1 1 21 21 GLN HA H 21 3.863 3.863 4.259 -0.396 18733 2660 1 8 . 1 1 21 21 GLN CA C 21 58.371 58.371 57.999 0.372 18733 2661 1 8 . 1 1 21 21 GLN CB C 21 27.603 27.603 28.772 -1.169 18733 2662 1 8 . 1 1 22 22 ASN N N 22 114.486 114.486 117.599 -3.113 18733 2663 1 8 . 1 1 22 22 ASN HA H 22 4.550 4.550 4.589 -0.039 18733 2664 1 8 . 1 1 22 22 ASN CA C 22 53.545 53.545 53.578 -0.033 18733 2665 1 8 . 1 1 22 22 ASN CB C 22 39.752 39.752 38.538 1.214 18733 2666 1 8 . 1 1 23 23 GLN N N 23 117.002 117.002 116.434 0.568 18733 2667 1 8 . 1 1 23 23 GLN HA H 23 4.121 4.121 4.252 -0.131 18733 2668 1 8 . 1 1 23 23 GLN CA C 23 56.336 56.336 55.934 0.403 18733 2669 1 8 . 1 1 23 23 GLN CB C 23 28.367 28.367 28.630 -0.263 18733 2670 1 8 . 1 1 24 24 ASN N N 24 117.868 117.868 119.956 -2.088 18733 2671 1 8 . 1 1 24 24 ASN HA H 24 4.554 4.554 4.631 -0.077 18733 2672 1 8 . 1 1 24 24 ASN CA C 24 53.550 53.550 53.747 -0.197 18733 2673 1 8 . 1 1 24 24 ASN CB C 24 38.856 38.856 38.975 -0.119 18733 2674 1 8 . 1 1 25 25 THR N N 25 115.612 115.612 120.695 -5.083 18733 2675 1 8 . 1 1 25 25 THR HA H 25 4.193 4.193 4.081 0.112 18733 2676 1 8 . 1 1 25 25 THR CA C 25 63.026 63.026 64.743 -1.717 18733 2677 1 8 . 1 1 25 25 THR CB C 25 69.388 69.388 69.007 0.381 18733 2678 1 8 . 1 1 26 26 GLU N N 26 119.600 119.600 118.961 0.639 18733 2679 1 8 . 1 1 26 26 GLU HA H 26 4.213 4.213 4.326 -0.113 18733 2680 1 8 . 1 1 26 26 GLU CA C 26 56.803 56.803 56.218 0.586 18733 2681 1 8 . 1 1 26 26 GLU CB C 26 29.566 29.566 29.425 0.141 18733 2682 1 8 . 1 1 27 27 ILE N N 27 118.383 118.383 121.085 -2.702 18733 2683 1 8 . 1 1 27 27 ILE HA H 27 4.320 4.320 4.342 -0.022 18733 2684 1 8 . 1 1 27 27 ILE CA C 27 59.638 59.638 60.370 -0.732 18733 2685 1 8 . 1 1 27 27 ILE CB C 27 39.531 39.531 39.999 -0.468 18733 2686 1 8 . 1 1 28 28 GLN N N 28 122.321 122.321 124.140 -1.819 18733 2687 1 8 . 1 1 28 28 GLN HA H 28 4.593 4.593 4.590 0.003 18733 2688 1 8 . 1 1 28 28 GLN CA C 28 54.684 54.684 54.835 -0.151 18733 2689 1 8 . 1 1 28 28 GLN CB C 28 30.183 30.183 30.126 0.057 18733 2690 1 8 . 1 1 29 29 THR N N 29 119.517 119.517 116.456 3.061 18733 2691 1 8 . 1 1 29 29 THR HA H 29 3.916 3.916 4.019 -0.103 18733 2692 1 8 . 1 1 29 29 THR CA C 29 65.895 65.895 65.663 0.232 18733 2693 1 8 . 1 1 29 29 THR CB C 29 68.708 68.708 68.484 0.224 18733 2694 1 8 . 1 1 30 30 GLY N N 30 109.285 109.285 109.573 -0.288 18733 2695 1 8 . 1 1 30 30 GLY CA C 30 47.126 47.126 46.452 0.674 18733 2696 1 8 . 1 1 31 31 GLU N N 31 120.940 120.940 122.338 -1.398 18733 2697 1 8 . 1 1 31 31 GLU HA H 31 4.259 4.259 4.085 0.174 18733 2698 1 8 . 1 1 31 31 GLU CA C 31 59.424 59.424 59.053 0.371 18733 2699 1 8 . 1 1 31 31 GLU CB C 31 29.410 29.410 29.619 -0.209 18733 2700 1 8 . 1 1 32 32 VAL N N 32 122.718 122.718 120.219 2.499 18733 2701 1 8 . 1 1 32 32 VAL HA H 32 3.568 3.568 3.767 -0.199 18733 2702 1 8 . 1 1 32 32 VAL CA C 32 66.122 66.122 66.432 -0.310 18733 2703 1 8 . 1 1 32 32 VAL CB C 32 31.157 31.157 31.587 -0.430 18733 2704 1 8 . 1 1 33 33 SER N N 33 114.886 114.886 115.736 -0.850 18733 2705 1 8 . 1 1 33 33 SER HA H 33 4.112 4.112 4.149 -0.037 18733 2706 1 8 . 1 1 33 33 SER CA C 33 62.119 62.119 61.937 0.182 18733 2707 1 8 . 1 1 33 33 SER CB C 33 63.293 63.293 63.150 0.143 18733 2708 1 8 . 1 1 34 34 ALA N N 34 121.240 121.240 123.003 -1.763 18733 2709 1 8 . 1 1 34 34 ALA HA H 34 4.505 4.505 4.200 0.305 18733 2710 1 8 . 1 1 34 34 ALA CA C 34 55.790 55.790 55.170 0.620 18733 2711 1 8 . 1 1 34 34 ALA CB C 34 18.845 18.845 18.264 0.581 18733 2712 1 8 . 1 1 35 35 SER N N 35 111.131 111.131 116.073 -4.942 18733 2713 1 8 . 1 1 35 35 SER HA H 35 3.420 3.420 4.351 -0.931 18733 2714 1 8 . 1 1 35 35 SER CA C 35 61.316 61.316 62.355 -1.039 18733 2715 1 8 . 1 1 35 35 SER CB C 35 62.547 62.547 63.121 -0.574 18733 2716 1 8 . 1 1 36 36 PHE N N 36 127.676 127.676 123.163 4.513 18733 2717 1 8 . 1 1 36 36 PHE HA H 36 4.490 4.490 4.191 0.299 18733 2718 1 8 . 1 1 36 36 PHE CA C 36 57.592 57.592 61.619 -4.027 18733 2719 1 8 . 1 1 36 36 PHE CB C 36 38.111 38.111 39.372 -1.261 18733 2720 1 8 . 1 1 37 37 MET N N 37 119.851 119.851 119.738 0.113 18733 2721 1 8 . 1 1 37 37 MET HA H 37 3.859 3.859 4.129 -0.270 18733 2722 1 8 . 1 1 37 37 MET CA C 37 59.444 59.444 59.431 0.013 18733 2723 1 8 . 1 1 37 37 MET CB C 37 33.517 33.517 32.828 0.689 18733 2724 1 8 . 1 1 38 38 TRP N N 38 121.153 121.153 120.970 0.183 18733 2725 1 8 . 1 1 38 38 TRP HA H 38 3.981 3.981 4.234 -0.253 18733 2726 1 8 . 1 1 38 38 TRP CA C 38 62.129 62.129 60.067 2.062 18733 2727 1 8 . 1 1 38 38 TRP CB C 38 29.930 29.930 29.855 0.075 18733 2728 1 8 . 1 1 39 39 ALA N N 39 119.518 119.518 122.090 -2.572 18733 2729 1 8 . 1 1 39 39 ALA HA H 39 3.880 3.880 3.704 0.176 18733 2730 1 8 . 1 1 39 39 ALA CA C 39 55.231 55.231 54.644 0.587 18733 2731 1 8 . 1 1 39 39 ALA CB C 39 20.477 20.477 17.846 2.631 18733 2732 1 8 . 1 1 40 40 LEU N N 40 116.794 116.794 119.391 -2.597 18733 2733 1 8 . 1 1 40 40 LEU HA H 40 2.741 2.741 3.922 -1.181 18733 2734 1 8 . 1 1 40 40 LEU CA C 40 56.979 56.979 56.711 0.268 18733 2735 1 8 . 1 1 40 40 LEU CB C 40 40.563 40.563 41.361 -0.798 18733 2736 1 8 . 1 1 41 41 ALA N N 41 120.249 120.249 122.050 -1.801 18733 2737 1 8 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.898 -0.235 18733 2738 1 8 . 1 1 41 41 ALA CA C 41 54.943 54.943 55.102 -0.160 18733 2739 1 8 . 1 1 41 41 ALA CB C 41 17.512 17.512 18.109 -0.597 18733 2740 1 8 . 1 1 42 42 ARG N N 42 118.787 118.787 117.202 1.585 18733 2741 1 8 . 1 1 42 42 ARG HA H 42 3.315 3.315 3.933 -0.618 18733 2742 1 8 . 1 1 42 42 ARG CA C 42 60.027 60.027 58.530 1.497 18733 2743 1 8 . 1 1 42 42 ARG CB C 42 29.084 29.084 30.066 -0.982 18733 2744 1 8 . 1 1 43 43 TYR N N 43 122.429 122.429 120.237 2.192 18733 2745 1 8 . 1 1 43 43 TYR HA H 43 3.956 3.956 4.137 -0.181 18733 2746 1 8 . 1 1 43 43 TYR CA C 43 63.225 63.225 61.121 2.104 18733 2747 1 8 . 1 1 43 43 TYR CB C 43 39.819 39.819 38.610 1.209 18733 2748 1 8 . 1 1 44 44 ASN N N 44 116.736 116.736 116.738 -0.002 18733 2749 1 8 . 1 1 44 44 ASN HA H 44 4.170 4.170 4.607 -0.437 18733 2750 1 8 . 1 1 44 44 ASN CA C 44 56.267 56.267 55.168 1.099 18733 2751 1 8 . 1 1 44 44 ASN CB C 44 37.894 37.894 38.215 -0.321 18733 2752 1 8 . 1 1 45 45 ALA N N 45 124.950 124.950 122.191 2.759 18733 2753 1 8 . 1 1 45 45 ALA HA H 45 3.862 3.862 4.261 -0.399 18733 2754 1 8 . 1 1 45 45 ALA CA C 45 55.465 55.465 54.846 0.619 18733 2755 1 8 . 1 1 45 45 ALA CB C 45 18.587 18.587 18.231 0.356 18733 2756 1 8 . 1 1 46 46 TRP N N 46 119.686 119.686 120.747 -1.061 18733 2757 1 8 . 1 1 46 46 TRP HA H 46 2.849 2.849 4.235 -1.386 18733 2758 1 8 . 1 1 46 46 TRP CA C 46 60.783 60.783 60.453 0.330 18733 2759 1 8 . 1 1 46 46 TRP CB C 46 26.470 26.470 28.924 -2.454 18733 2760 1 8 . 1 1 47 47 PHE N N 47 121.090 121.090 116.553 4.537 18733 2761 1 8 . 1 1 47 47 PHE HA H 47 2.939 2.939 4.233 -1.294 18733 2762 1 8 . 1 1 47 47 PHE CA C 47 59.116 59.116 59.927 -0.811 18733 2763 1 8 . 1 1 47 47 PHE CB C 47 38.212 38.212 38.717 -0.505 18733 2764 1 8 . 1 1 48 48 GLY N N 48 109.386 109.386 108.207 1.179 18733 2765 1 8 . 1 1 48 48 GLY CA C 48 47.209 47.209 47.048 0.161 18733 2766 1 8 . 1 1 49 49 SER N N 49 118.098 118.098 113.958 4.140 18733 2767 1 8 . 1 1 49 49 SER CA C 49 62.016 62.016 60.186 1.830 18733 2768 1 8 . 1 1 49 49 SER CB C 49 63.411 63.411 63.225 0.186 18733 2769 1 8 . 1 1 50 50 THR N N 50 110.801 110.801 113.712 -2.911 18733 2770 1 8 . 1 1 50 50 THR HA H 50 3.851 3.851 4.452 -0.601 18733 2771 1 8 . 1 1 50 50 THR CA C 50 63.914 63.914 60.974 2.940 18733 2772 1 8 . 1 1 50 50 THR CB C 50 69.676 69.676 69.129 0.547 18733 2773 1 8 . 1 1 51 51 SER N N 51 115.249 115.249 117.019 -1.770 18733 2774 1 8 . 1 1 51 51 SER HA H 51 3.990 3.990 4.454 -0.464 18733 2775 1 8 . 1 1 51 51 SER CA C 51 59.360 59.360 60.170 -0.810 18733 2776 1 8 . 1 1 51 51 SER CB C 51 63.142 63.142 64.238 -1.096 18733 2777 1 8 . 1 1 52 52 PHE N N 52 118.004 118.004 117.740 0.264 18733 2778 1 8 . 1 1 52 52 PHE HA H 52 4.861 4.861 4.709 0.152 18733 2779 1 8 . 1 1 52 52 PHE CA C 52 57.045 57.045 57.006 0.039 18733 2780 1 8 . 1 1 52 52 PHE CB C 52 42.165 42.165 42.275 -0.110 18733 2781 1 8 . 1 1 53 53 GLU N N 53 119.224 119.224 119.156 0.068 18733 2782 1 8 . 1 1 53 53 GLU HA H 53 4.415 4.415 4.254 0.161 18733 2783 1 8 . 1 1 53 53 GLU CA C 53 57.653 57.653 57.297 0.356 18733 2784 1 8 . 1 1 53 53 GLU CB C 53 31.679 31.679 30.108 1.571 18733 2785 1 8 . 1 1 54 54 THR N N 54 105.230 105.230 110.274 -5.044 18733 2786 1 8 . 1 1 54 54 THR HA H 54 4.529 4.529 4.728 -0.199 18733 2787 1 8 . 1 1 54 54 THR CA C 54 58.360 58.360 59.848 -1.488 18733 2788 1 8 . 1 1 54 54 THR CB C 54 73.366 73.366 72.435 0.931 18733 2789 1 8 . 1 1 55 55 LYS N N 55 122.509 122.509 122.644 -0.135 18733 2790 1 8 . 1 1 55 55 LYS HA H 55 2.752 2.752 4.041 -1.289 18733 2791 1 8 . 1 1 55 55 LYS CA C 55 58.567 58.567 58.951 -0.384 18733 2792 1 8 . 1 1 55 55 LYS CB C 55 32.829 32.829 32.048 0.781 18733 2793 1 8 . 1 1 56 56 GLU N N 56 117.867 117.867 118.165 -0.298 18733 2794 1 8 . 1 1 56 56 GLU HA H 56 3.785 3.785 4.118 -0.333 18733 2795 1 8 . 1 1 56 56 GLU CA C 56 60.334 60.334 58.962 1.372 18733 2796 1 8 . 1 1 56 56 GLU CB C 56 28.185 28.185 29.197 -1.012 18733 2797 1 8 . 1 1 57 57 GLN N N 57 119.487 119.487 117.025 2.462 18733 2798 1 8 . 1 1 57 57 GLN HA H 57 3.788 3.788 4.125 -0.337 18733 2799 1 8 . 1 1 57 57 GLN CA C 57 58.056 58.056 56.908 1.147 18733 2800 1 8 . 1 1 57 57 GLN CB C 57 28.577 28.577 29.470 -0.893 18733 2801 1 8 . 1 1 58 58 MET N N 58 118.284 118.284 120.059 -1.775 18733 2802 1 8 . 1 1 58 58 MET HA H 58 2.029 2.029 4.154 -2.125 18733 2803 1 8 . 1 1 58 58 MET CA C 58 58.862 58.862 58.946 -0.084 18733 2804 1 8 . 1 1 58 58 MET CB C 58 30.814 30.814 32.865 -2.051 18733 2805 1 8 . 1 1 59 59 GLN N N 59 116.663 116.663 119.131 -2.468 18733 2806 1 8 . 1 1 59 59 GLN HA H 59 3.578 3.578 3.975 -0.397 18733 2807 1 8 . 1 1 59 59 GLN CA C 59 59.361 59.361 58.970 0.391 18733 2808 1 8 . 1 1 59 59 GLN CB C 59 28.975 28.975 28.722 0.253 18733 2809 1 8 . 1 1 60 60 ALA N N 60 119.084 119.084 118.657 0.427 18733 2810 1 8 . 1 1 60 60 ALA HA H 60 4.028 4.028 4.225 -0.197 18733 2811 1 8 . 1 1 60 60 ALA CA C 60 54.245 54.245 53.747 0.498 18733 2812 1 8 . 1 1 60 60 ALA CB C 60 18.161 18.161 18.106 0.055 18733 2813 1 8 . 1 1 61 61 LYS N N 61 115.215 115.215 116.272 -1.057 18733 2814 1 8 . 1 1 61 61 LYS HA H 61 4.517 4.517 4.807 -0.290 18733 2815 1 8 . 1 1 61 61 LYS CA C 61 54.188 54.188 54.911 -0.723 18733 2816 1 8 . 1 1 61 61 LYS CB C 61 33.239 33.239 32.325 0.914 18733 2817 1 8 . 1 1 62 62 LYS N N 62 122.199 122.199 120.210 1.989 18733 2818 1 8 . 1 1 62 62 LYS HA H 62 3.582 3.582 4.001 -0.419 18733 2819 1 8 . 1 1 62 62 LYS CA C 62 61.271 61.271 60.085 1.186 18733 2820 1 8 . 1 1 62 62 LYS CB C 62 33.052 33.052 31.399 1.653 18733 2821 1 8 . 1 1 63 63 GLN N N 63 117.101 117.101 118.407 -1.306 18733 2822 1 8 . 1 1 63 63 GLN HA H 63 3.767 3.767 4.143 -0.376 18733 2823 1 8 . 1 1 63 63 GLN CA C 63 58.948 58.948 58.531 0.418 18733 2824 1 8 . 1 1 63 63 GLN CB C 63 27.823 27.823 28.037 -0.214 18733 2825 1 8 . 1 1 64 64 GLU N N 64 119.459 119.459 119.034 0.425 18733 2826 1 8 . 1 1 64 64 GLU HA H 64 4.035 4.035 4.137 -0.102 18733 2827 1 8 . 1 1 64 64 GLU CA C 64 59.672 59.672 58.860 0.812 18733 2828 1 8 . 1 1 64 64 GLU CB C 64 29.755 29.755 29.473 0.282 18733 2829 1 8 . 1 1 65 65 MET N N 65 118.493 118.493 115.477 3.016 18733 2830 1 8 . 1 1 65 65 MET HA H 65 4.077 4.077 4.377 -0.300 18733 2831 1 8 . 1 1 65 65 MET CA C 65 59.488 59.488 57.920 1.568 18733 2832 1 8 . 1 1 65 65 MET CB C 65 34.335 34.335 33.326 1.009 18733 2833 1 8 . 1 1 66 66 MET N N 66 117.848 117.848 119.487 -1.639 18733 2834 1 8 . 1 1 66 66 MET HA H 66 4.127 4.127 4.018 0.109 18733 2835 1 8 . 1 1 66 66 MET CA C 66 59.790 59.790 58.449 1.341 18733 2836 1 8 . 1 1 66 66 MET CB C 66 31.196 31.196 32.019 -0.823 18733 2837 1 8 . 1 1 67 67 ASP N N 67 118.987 118.987 120.633 -1.646 18733 2838 1 8 . 1 1 67 67 ASP HA H 67 4.283 4.283 4.306 -0.023 18733 2839 1 8 . 1 1 67 67 ASP CA C 67 57.892 57.892 57.396 0.496 18733 2840 1 8 . 1 1 67 67 ASP CB C 67 39.885 39.885 40.639 -0.754 18733 2841 1 8 . 1 1 68 68 TYR N N 68 119.790 119.790 116.619 3.171 18733 2842 1 8 . 1 1 68 68 TYR HA H 68 4.118 4.118 4.471 -0.353 18733 2843 1 8 . 1 1 68 68 TYR CA C 68 61.588 61.588 59.256 2.332 18733 2844 1 8 . 1 1 68 68 TYR CB C 68 37.806 37.806 38.677 -0.871 18733 2845 1 8 . 1 1 69 69 TYR N N 69 118.552 118.552 117.645 0.907 18733 2846 1 8 . 1 1 69 69 TYR HA H 69 4.057 4.057 4.387 -0.330 18733 2847 1 8 . 1 1 69 69 TYR CA C 69 62.536 62.536 58.659 3.877 18733 2848 1 8 . 1 1 69 69 TYR CB C 69 37.582 37.582 38.054 -0.472 18733 2849 1 8 . 1 1 70 70 MET N N 70 117.939 117.939 118.165 -0.226 18733 2850 1 8 . 1 1 70 70 MET HA H 70 4.489 4.489 4.207 0.282 18733 2851 1 8 . 1 1 70 70 MET CA C 70 58.947 58.947 58.757 0.190 18733 2852 1 8 . 1 1 70 70 MET CB C 70 31.380 31.380 32.896 -1.516 18733 2853 1 8 . 1 1 71 71 ASP N N 71 120.118 120.118 115.753 4.365 18733 2854 1 8 . 1 1 71 71 ASP HA H 71 4.390 4.390 4.842 -0.452 18733 2855 1 8 . 1 1 71 71 ASP CA C 71 57.730 57.730 54.710 3.020 18733 2856 1 8 . 1 1 71 71 ASP CB C 71 40.050 40.050 40.798 -0.748 18733 2857 1 8 . 1 1 72 72 ARG N N 72 118.091 118.091 117.287 0.804 18733 2858 1 8 . 1 1 72 72 ARG HA H 72 4.107 4.107 4.594 -0.487 18733 2859 1 8 . 1 1 72 72 ARG CA C 72 58.260 58.260 56.218 2.042 18733 2860 1 8 . 1 1 72 72 ARG CB C 72 31.091 31.091 32.083 -0.992 18733 2861 1 8 . 1 1 73 73 TYR N N 73 121.878 121.878 119.076 2.802 18733 2862 1 8 . 1 1 73 73 TYR HA H 73 4.178 4.178 4.747 -0.569 18733 2863 1 8 . 1 1 73 73 TYR CA C 73 61.440 61.440 55.566 5.874 18733 2864 1 8 . 1 1 73 73 TYR CB C 73 38.677 38.677 37.506 1.171 18733 2865 1 8 . 1 1 74 74 LYS N N 74 119.791 119.791 121.948 -2.157 18733 2866 1 8 . 1 1 74 74 LYS HA H 74 3.564 3.564 3.612 -0.048 18733 2867 1 8 . 1 1 74 74 LYS CA C 74 60.621 60.621 60.312 0.309 18733 2868 1 8 . 1 1 74 74 LYS CB C 74 32.225 32.225 32.076 0.149 18733 2869 1 8 . 1 1 75 75 GLU N N 75 116.140 116.140 117.355 -1.215 18733 2870 1 8 . 1 1 75 75 GLU HA H 75 4.004 4.004 4.072 -0.068 18733 2871 1 8 . 1 1 75 75 GLU CA C 75 59.293 59.293 58.764 0.529 18733 2872 1 8 . 1 1 75 75 GLU CB C 75 29.627 29.627 28.768 0.859 18733 2873 1 8 . 1 1 76 76 MET N N 76 119.200 119.200 117.580 1.620 18733 2874 1 8 . 1 1 76 76 MET HA H 76 4.250 4.250 4.340 -0.090 18733 2875 1 8 . 1 1 76 76 MET CA C 76 60.058 60.058 57.594 2.464 18733 2876 1 8 . 1 1 76 76 MET CB C 76 32.751 32.751 32.648 0.103 18733 2877 1 8 . 1 1 77 77 LEU N N 77 125.191 125.191 119.593 5.598 18733 2878 1 8 . 1 1 77 77 LEU HA H 77 3.703 3.703 4.124 -0.421 18733 2879 1 8 . 1 1 77 77 LEU CA C 77 58.589 58.589 56.998 1.591 18733 2880 1 8 . 1 1 77 77 LEU CB C 77 41.650 41.650 42.154 -0.504 18733 2881 1 8 . 1 1 78 78 ASP N N 78 119.843 119.843 120.759 -0.916 18733 2882 1 8 . 1 1 78 78 ASP HA H 78 4.177 4.177 4.311 -0.134 18733 2883 1 8 . 1 1 78 78 ASP CA C 78 58.584 58.584 57.261 1.323 18733 2884 1 8 . 1 1 78 78 ASP CB C 78 42.352 42.352 40.709 1.643 18733 2885 1 8 . 1 1 79 79 ALA N N 79 117.168 117.168 120.897 -3.729 18733 2886 1 8 . 1 1 79 79 ALA HA H 79 4.077 4.077 4.128 -0.051 18733 2887 1 8 . 1 1 79 79 ALA CA C 79 55.317 55.317 54.410 0.907 18733 2888 1 8 . 1 1 79 79 ALA CB C 79 18.335 18.335 18.643 -0.308 18733 2889 1 8 . 1 1 80 80 ASN N N 80 115.882 115.882 113.374 2.508 18733 2890 1 8 . 1 1 80 80 ASN HA H 80 4.416 4.416 4.917 -0.501 18733 2891 1 8 . 1 1 80 80 ASN CA C 80 57.791 57.791 53.084 4.707 18733 2892 1 8 . 1 1 80 80 ASN CB C 80 40.251 40.251 39.875 0.376 18733 2893 1 8 . 1 1 81 81 MET N N 81 120.945 120.945 119.858 1.087 18733 2894 1 8 . 1 1 81 81 MET HA H 81 4.129 4.129 4.582 -0.453 18733 2895 1 8 . 1 1 81 81 MET CA C 81 58.954 58.954 54.973 3.981 18733 2896 1 8 . 1 1 81 81 MET CB C 81 31.937 31.937 32.659 -0.722 18733 2897 1 8 . 1 1 82 82 GLU N N 82 116.578 116.578 114.162 2.416 18733 2898 1 8 . 1 1 82 82 GLU HA H 82 3.979 3.979 4.008 -0.029 18733 2899 1 8 . 1 1 82 82 GLU CA C 82 59.214 59.214 58.737 0.477 18733 2900 1 8 . 1 1 82 82 GLU CB C 82 29.207 29.207 28.539 0.668 18733 2901 1 8 . 1 1 83 83 ASP N N 83 119.199 119.199 119.822 -0.623 18733 2902 1 8 . 1 1 83 83 ASP HA H 83 4.399 4.399 4.322 0.077 18733 2903 1 8 . 1 1 83 83 ASP CA C 83 57.554 57.554 57.491 0.063 18733 2904 1 8 . 1 1 83 83 ASP CB C 83 42.088 42.088 40.838 1.250 18733 2905 1 8 . 1 1 84 84 TYR N N 84 117.904 117.904 117.347 0.557 18733 2906 1 8 . 1 1 84 84 TYR HA H 84 3.931 3.931 4.584 -0.653 18733 2907 1 8 . 1 1 84 84 TYR CA C 84 63.663 63.663 60.219 3.444 18733 2908 1 8 . 1 1 84 84 TYR CB C 84 39.134 39.134 38.006 1.128 18733 2909 1 8 . 1 1 85 85 ILE N N 85 116.362 116.362 118.052 -1.690 18733 2910 1 8 . 1 1 85 85 ILE HA H 85 3.752 3.752 3.878 -0.126 18733 2911 1 8 . 1 1 85 85 ILE CA C 85 66.287 66.287 63.600 2.687 18733 2912 1 8 . 1 1 85 85 ILE CB C 85 38.815 38.815 37.975 0.840 18733 2913 1 8 . 1 1 86 86 GLU N N 86 117.696 117.696 118.834 -1.138 18733 2914 1 8 . 1 1 86 86 GLU HA H 86 3.896 3.896 4.193 -0.297 18733 2915 1 8 . 1 1 86 86 GLU CA C 86 59.290 59.290 58.982 0.308 18733 2916 1 8 . 1 1 86 86 GLU CB C 86 29.660 29.660 29.340 0.320 18733 2917 1 8 . 1 1 87 87 ASN N N 87 113.943 113.943 116.254 -2.311 18733 2918 1 8 . 1 1 87 87 ASN HA H 87 4.933 4.933 4.885 0.048 18733 2919 1 8 . 1 1 87 87 ASN CA C 87 52.462 52.462 53.884 -1.422 18733 2920 1 8 . 1 1 87 87 ASN CB C 87 38.847 38.847 39.689 -0.842 18733 2921 1 8 . 1 1 88 88 PHE N N 88 123.733 123.733 122.869 0.864 18733 2922 1 8 . 1 1 88 88 PHE HA H 88 4.141 4.141 4.520 -0.379 18733 2923 1 8 . 1 1 88 88 PHE CA C 88 63.888 63.888 62.501 1.387 18733 2924 1 8 . 1 1 88 88 PHE CB C 88 41.768 41.768 39.463 2.305 18733 2925 1 8 . 1 1 89 89 ASP N N 89 117.257 117.257 119.223 -1.966 18733 2926 1 8 . 1 1 89 89 ASP HA H 89 4.386 4.386 4.202 0.184 18733 2927 1 8 . 1 1 89 89 ASP CA C 89 57.468 57.468 58.253 -0.785 18733 2928 1 8 . 1 1 89 89 ASP CB C 89 39.886 39.886 40.222 -0.336 18733 2929 1 8 . 1 1 90 90 HIS N N 90 121.385 121.385 118.472 2.913 18733 2930 1 8 . 1 1 90 90 HIS HA H 90 4.294 4.294 4.242 0.052 18733 2931 1 8 . 1 1 90 90 HIS CA C 90 59.081 59.081 59.179 -0.098 18733 2932 1 8 . 1 1 90 90 HIS CB C 90 29.949 29.949 29.966 -0.017 18733 2933 1 8 . 1 1 91 91 TYR N N 91 118.440 118.440 119.122 -0.682 18733 2934 1 8 . 1 1 91 91 TYR HA H 91 4.192 4.192 4.368 -0.176 18733 2935 1 8 . 1 1 91 91 TYR CA C 91 59.618 59.618 61.213 -1.595 18733 2936 1 8 . 1 1 91 91 TYR CB C 91 36.860 36.860 38.040 -1.180 18733 2937 1 8 . 1 1 92 92 ARG N N 92 119.028 119.028 116.955 2.073 18733 2938 1 8 . 1 1 92 92 ARG HA H 92 4.023 4.023 3.841 0.182 18733 2939 1 8 . 1 1 92 92 ARG CA C 92 57.308 57.308 57.316 -0.008 18733 2940 1 8 . 1 1 92 92 ARG CB C 92 29.129 29.129 29.374 -0.245 18733 2941 1 8 . 1 1 93 93 ALA N N 93 120.513 120.513 118.899 1.614 18733 2942 1 8 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.218 -0.007 18733 2943 1 8 . 1 1 93 93 ALA CA C 93 53.603 53.603 53.635 -0.032 18733 2944 1 8 . 1 1 93 93 ALA CB C 93 18.864 18.864 19.227 -0.363 18733 2945 1 8 . 1 1 94 94 THR N N 94 108.668 108.668 110.470 -1.802 18733 2946 1 8 . 1 1 94 94 THR HA H 94 4.249 4.249 4.345 -0.096 18733 2947 1 8 . 1 1 94 94 THR CA C 94 62.170 62.170 62.252 -0.082 18733 2948 1 8 . 1 1 94 94 THR CB C 94 70.164 70.164 69.103 1.061 18733 2949 1 8 . 1 1 95 95 GLN N N 95 122.873 122.873 120.555 2.318 18733 2950 1 8 . 1 1 95 95 GLN HA H 95 4.288 4.288 4.523 -0.235 18733 2951 1 8 . 1 1 95 95 GLN CA C 95 56.073 56.073 55.196 0.877 18733 2952 1 8 . 1 1 95 95 GLN CB C 95 28.903 28.903 30.640 -1.738 18733 2953 1 9 . 1 1 2 2 ASN HA H 2 4.590 4.590 4.714 -0.124 18733 2954 1 9 . 1 1 2 2 ASN CA C 2 53.554 53.554 53.924 -0.370 18733 2955 1 9 . 1 1 2 2 ASN CB C 2 38.650 38.650 38.850 -0.200 18733 2956 1 9 . 1 1 3 3 ASN HA H 3 4.526 4.526 4.909 -0.383 18733 2957 1 9 . 1 1 3 3 ASN CA C 3 53.720 53.720 52.649 1.071 18733 2958 1 9 . 1 1 3 3 ASN CB C 3 38.473 38.473 39.995 -1.522 18733 2959 1 9 . 1 1 4 4 GLU N N 4 121.638 121.638 124.399 -2.761 18733 2960 1 9 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.362 -0.276 18733 2961 1 9 . 1 1 4 4 GLU CA C 4 57.656 57.656 56.179 1.477 18733 2962 1 9 . 1 1 4 4 GLU CB C 4 29.649 29.649 29.688 -0.039 18733 2963 1 9 . 1 1 5 5 ASN N N 5 118.543 118.543 124.411 -5.868 18733 2964 1 9 . 1 1 5 5 ASN HA H 5 4.531 4.531 4.236 0.295 18733 2965 1 9 . 1 1 5 5 ASN CA C 5 55.114 55.114 54.966 0.148 18733 2966 1 9 . 1 1 5 5 ASN CB C 5 38.417 38.417 37.465 0.952 18733 2967 1 9 . 1 1 6 6 ALA N N 6 123.531 123.531 121.768 1.763 18733 2968 1 9 . 1 1 6 6 ALA HA H 6 4.057 4.057 3.930 0.127 18733 2969 1 9 . 1 1 6 6 ALA CA C 6 55.266 55.266 51.243 4.023 18733 2970 1 9 . 1 1 6 6 ALA CB C 6 18.099 18.099 19.134 -1.035 18733 2971 1 9 . 1 1 7 7 PHE N N 7 119.588 119.588 119.217 0.371 18733 2972 1 9 . 1 1 7 7 PHE HA H 7 3.777 3.777 4.542 -0.765 18733 2973 1 9 . 1 1 7 7 PHE CA C 7 61.179 61.179 54.745 6.434 18733 2974 1 9 . 1 1 7 7 PHE CB C 7 38.947 38.947 35.723 3.224 18733 2975 1 9 . 1 1 8 8 TYR N N 8 116.300 116.300 122.912 -6.612 18733 2976 1 9 . 1 1 8 8 TYR HA H 8 4.007 4.007 4.142 -0.135 18733 2977 1 9 . 1 1 8 8 TYR CA C 8 61.117 61.117 62.578 -1.461 18733 2978 1 9 . 1 1 8 8 TYR CB C 8 37.370 37.370 37.051 0.319 18733 2979 1 9 . 1 1 9 9 ALA N N 9 124.516 124.516 117.892 6.624 18733 2980 1 9 . 1 1 9 9 ALA HA H 9 4.074 4.074 4.207 -0.133 18733 2981 1 9 . 1 1 9 9 ALA CA C 9 55.415 55.415 53.578 1.837 18733 2982 1 9 . 1 1 9 9 ALA CB C 9 17.797 17.797 18.171 -0.374 18733 2983 1 9 . 1 1 10 10 ARG N N 10 118.255 118.255 118.892 -0.637 18733 2984 1 9 . 1 1 10 10 ARG HA H 10 3.857 3.857 4.392 -0.535 18733 2985 1 9 . 1 1 10 10 ARG CA C 10 60.070 60.070 57.992 2.078 18733 2986 1 9 . 1 1 10 10 ARG CB C 10 31.179 31.179 31.058 0.121 18733 2987 1 9 . 1 1 11 11 ALA N N 11 119.258 119.258 122.522 -3.264 18733 2988 1 9 . 1 1 11 11 ALA HA H 11 4.079 4.079 4.051 0.028 18733 2989 1 9 . 1 1 11 11 ALA CA C 11 55.152 55.152 54.993 0.159 18733 2990 1 9 . 1 1 11 11 ALA CB C 11 19.072 19.072 17.951 1.121 18733 2991 1 9 . 1 1 12 12 THR N N 12 114.669 114.669 112.240 2.429 18733 2992 1 9 . 1 1 12 12 THR HA H 12 3.761 3.761 4.059 -0.298 18733 2993 1 9 . 1 1 12 12 THR CA C 12 67.028 67.028 65.499 1.529 18733 2994 1 9 . 1 1 12 12 THR CB C 12 68.661 68.661 68.679 -0.018 18733 2995 1 9 . 1 1 13 13 GLU N N 13 120.838 120.838 119.811 1.027 18733 2996 1 9 . 1 1 13 13 GLU HA H 13 3.782 3.782 4.295 -0.513 18733 2997 1 9 . 1 1 13 13 GLU CA C 13 59.781 59.781 58.176 1.605 18733 2998 1 9 . 1 1 13 13 GLU CB C 13 29.713 29.713 29.867 -0.154 18733 2999 1 9 . 1 1 14 14 LEU N N 14 119.831 119.831 120.747 -0.916 18733 3000 1 9 . 1 1 14 14 LEU HA H 14 3.616 3.616 4.162 -0.546 18733 3001 1 9 . 1 1 14 14 LEU CA C 14 58.363 58.363 57.866 0.497 18733 3002 1 9 . 1 1 14 14 LEU CB C 14 42.109 42.109 41.477 0.632 18733 3003 1 9 . 1 1 15 15 ILE N N 15 119.150 119.150 117.502 1.648 18733 3004 1 9 . 1 1 15 15 ILE HA H 15 3.376 3.376 3.605 -0.229 18733 3005 1 9 . 1 1 15 15 ILE CA C 15 66.274 66.274 64.837 1.437 18733 3006 1 9 . 1 1 15 15 ILE CB C 15 38.343 38.343 37.353 0.990 18733 3007 1 9 . 1 1 16 16 LYS N N 16 118.734 118.734 120.105 -1.371 18733 3008 1 9 . 1 1 16 16 LYS HA H 16 3.808 3.808 4.079 -0.271 18733 3009 1 9 . 1 1 16 16 LYS CA C 16 59.950 59.950 59.216 0.734 18733 3010 1 9 . 1 1 16 16 LYS CB C 16 32.109 32.109 32.094 0.015 18733 3011 1 9 . 1 1 17 17 LEU N N 17 121.376 121.376 119.655 1.721 18733 3012 1 9 . 1 1 17 17 LEU HA H 17 4.017 4.017 4.244 -0.227 18733 3013 1 9 . 1 1 17 17 LEU CA C 17 57.733 57.733 57.276 0.457 18733 3014 1 9 . 1 1 17 17 LEU CB C 17 40.385 40.385 41.255 -0.870 18733 3015 1 9 . 1 1 18 18 ALA N N 18 123.298 123.298 122.330 0.968 18733 3016 1 9 . 1 1 18 18 ALA HA H 18 3.547 3.547 4.067 -0.520 18733 3017 1 9 . 1 1 18 18 ALA CA C 18 55.031 55.031 54.984 0.047 18733 3018 1 9 . 1 1 18 18 ALA CB C 18 17.716 17.716 18.458 -0.742 18733 3019 1 9 . 1 1 19 19 ASN N N 19 114.581 114.581 116.126 -1.545 18733 3020 1 9 . 1 1 19 19 ASN HA H 19 4.504 4.504 4.474 0.030 18733 3021 1 9 . 1 1 19 19 ASN CA C 19 55.633 55.633 55.803 -0.170 18733 3022 1 9 . 1 1 19 19 ASN CB C 19 37.683 37.683 38.411 -0.729 18733 3023 1 9 . 1 1 20 20 GLN N N 20 122.054 122.054 118.325 3.729 18733 3024 1 9 . 1 1 20 20 GLN HA H 20 3.959 3.959 4.481 -0.522 18733 3025 1 9 . 1 1 20 20 GLN CA C 20 58.913 58.913 57.641 1.272 18733 3026 1 9 . 1 1 20 20 GLN CB C 20 28.293 28.293 28.893 -0.600 18733 3027 1 9 . 1 1 21 21 GLN N N 21 120.962 120.962 116.294 4.668 18733 3028 1 9 . 1 1 21 21 GLN HA H 21 3.863 3.863 4.349 -0.486 18733 3029 1 9 . 1 1 21 21 GLN CA C 21 58.371 58.371 56.935 1.436 18733 3030 1 9 . 1 1 21 21 GLN CB C 21 27.603 27.603 29.345 -1.742 18733 3031 1 9 . 1 1 22 22 ASN N N 22 114.486 114.486 118.598 -4.112 18733 3032 1 9 . 1 1 22 22 ASN HA H 22 4.550 4.550 4.611 -0.061 18733 3033 1 9 . 1 1 22 22 ASN CA C 22 53.545 53.545 54.218 -0.673 18733 3034 1 9 . 1 1 22 22 ASN CB C 22 39.752 39.752 38.989 0.763 18733 3035 1 9 . 1 1 23 23 GLN N N 23 117.002 117.002 115.762 1.240 18733 3036 1 9 . 1 1 23 23 GLN HA H 23 4.121 4.121 4.287 -0.166 18733 3037 1 9 . 1 1 23 23 GLN CA C 23 56.336 56.336 55.250 1.086 18733 3038 1 9 . 1 1 23 23 GLN CB C 23 28.367 28.367 28.134 0.233 18733 3039 1 9 . 1 1 24 24 ASN N N 24 117.868 117.868 119.631 -1.763 18733 3040 1 9 . 1 1 24 24 ASN HA H 24 4.554 4.554 4.714 -0.160 18733 3041 1 9 . 1 1 24 24 ASN CA C 24 53.550 53.550 53.092 0.458 18733 3042 1 9 . 1 1 24 24 ASN CB C 24 38.856 38.856 38.899 -0.043 18733 3043 1 9 . 1 1 25 25 THR N N 25 115.612 115.612 120.530 -4.918 18733 3044 1 9 . 1 1 25 25 THR HA H 25 4.193 4.193 4.054 0.139 18733 3045 1 9 . 1 1 25 25 THR CA C 25 63.026 63.026 64.747 -1.721 18733 3046 1 9 . 1 1 25 25 THR CB C 25 69.388 69.388 68.991 0.397 18733 3047 1 9 . 1 1 26 26 GLU N N 26 119.600 119.600 118.977 0.623 18733 3048 1 9 . 1 1 26 26 GLU HA H 26 4.213 4.213 4.356 -0.143 18733 3049 1 9 . 1 1 26 26 GLU CA C 26 56.803 56.803 55.968 0.836 18733 3050 1 9 . 1 1 26 26 GLU CB C 26 29.566 29.566 29.148 0.418 18733 3051 1 9 . 1 1 27 27 ILE N N 27 118.383 118.383 121.069 -2.686 18733 3052 1 9 . 1 1 27 27 ILE HA H 27 4.320 4.320 4.340 -0.020 18733 3053 1 9 . 1 1 27 27 ILE CA C 27 59.638 59.638 60.142 -0.504 18733 3054 1 9 . 1 1 27 27 ILE CB C 27 39.531 39.531 40.125 -0.594 18733 3055 1 9 . 1 1 28 28 GLN N N 28 122.321 122.321 122.398 -0.077 18733 3056 1 9 . 1 1 28 28 GLN HA H 28 4.593 4.593 4.385 0.208 18733 3057 1 9 . 1 1 28 28 GLN CA C 28 54.684 54.684 55.967 -1.283 18733 3058 1 9 . 1 1 28 28 GLN CB C 28 30.183 30.183 29.377 0.807 18733 3059 1 9 . 1 1 29 29 THR N N 29 119.517 119.517 116.790 2.727 18733 3060 1 9 . 1 1 29 29 THR HA H 29 3.916 3.916 4.113 -0.197 18733 3061 1 9 . 1 1 29 29 THR CA C 29 65.895 65.895 65.797 0.098 18733 3062 1 9 . 1 1 29 29 THR CB C 29 68.708 68.708 68.616 0.092 18733 3063 1 9 . 1 1 30 30 GLY N N 30 109.285 109.285 108.002 1.283 18733 3064 1 9 . 1 1 30 30 GLY CA C 30 47.126 47.126 45.641 1.485 18733 3065 1 9 . 1 1 31 31 GLU N N 31 120.940 120.940 120.219 0.721 18733 3066 1 9 . 1 1 31 31 GLU HA H 31 4.259 4.259 4.343 -0.084 18733 3067 1 9 . 1 1 31 31 GLU CA C 31 59.424 59.424 57.006 2.418 18733 3068 1 9 . 1 1 31 31 GLU CB C 31 29.410 29.410 29.463 -0.053 18733 3069 1 9 . 1 1 32 32 VAL N N 32 122.718 122.718 117.893 4.825 18733 3070 1 9 . 1 1 32 32 VAL HA H 32 3.568 3.568 3.983 -0.415 18733 3071 1 9 . 1 1 32 32 VAL CA C 32 66.122 66.122 64.528 1.594 18733 3072 1 9 . 1 1 32 32 VAL CB C 32 31.157 31.157 32.287 -1.130 18733 3073 1 9 . 1 1 33 33 SER N N 33 114.886 114.886 116.340 -1.454 18733 3074 1 9 . 1 1 33 33 SER HA H 33 4.112 4.112 4.162 -0.050 18733 3075 1 9 . 1 1 33 33 SER CA C 33 62.119 62.119 61.687 0.432 18733 3076 1 9 . 1 1 33 33 SER CB C 33 63.293 63.293 62.754 0.539 18733 3077 1 9 . 1 1 34 34 ALA N N 34 121.240 121.240 124.048 -2.808 18733 3078 1 9 . 1 1 34 34 ALA HA H 34 4.505 4.505 4.192 0.313 18733 3079 1 9 . 1 1 34 34 ALA CA C 34 55.790 55.790 54.648 1.141 18733 3080 1 9 . 1 1 34 34 ALA CB C 34 18.845 18.845 18.280 0.564 18733 3081 1 9 . 1 1 35 35 SER N N 35 111.131 111.131 115.772 -4.641 18733 3082 1 9 . 1 1 35 35 SER HA H 35 3.420 3.420 4.346 -0.926 18733 3083 1 9 . 1 1 35 35 SER CA C 35 61.316 61.316 61.496 -0.180 18733 3084 1 9 . 1 1 35 35 SER CB C 35 62.547 62.547 62.874 -0.327 18733 3085 1 9 . 1 1 36 36 PHE N N 36 127.676 127.676 123.315 4.361 18733 3086 1 9 . 1 1 36 36 PHE HA H 36 4.490 4.490 4.267 0.223 18733 3087 1 9 . 1 1 36 36 PHE CA C 36 57.592 57.592 61.376 -3.784 18733 3088 1 9 . 1 1 36 36 PHE CB C 36 38.111 38.111 39.386 -1.276 18733 3089 1 9 . 1 1 37 37 MET N N 37 119.851 119.851 119.978 -0.127 18733 3090 1 9 . 1 1 37 37 MET HA H 37 3.859 3.859 4.088 -0.229 18733 3091 1 9 . 1 1 37 37 MET CA C 37 59.444 59.444 59.582 -0.138 18733 3092 1 9 . 1 1 37 37 MET CB C 37 33.517 33.517 32.816 0.701 18733 3093 1 9 . 1 1 38 38 TRP N N 38 121.153 121.153 120.799 0.354 18733 3094 1 9 . 1 1 38 38 TRP HA H 38 3.981 3.981 4.155 -0.174 18733 3095 1 9 . 1 1 38 38 TRP CA C 38 62.129 62.129 60.666 1.463 18733 3096 1 9 . 1 1 38 38 TRP CB C 38 29.930 29.930 29.575 0.355 18733 3097 1 9 . 1 1 39 39 ALA N N 39 119.518 119.518 121.695 -2.177 18733 3098 1 9 . 1 1 39 39 ALA HA H 39 3.880 3.880 3.795 0.085 18733 3099 1 9 . 1 1 39 39 ALA CA C 39 55.231 55.231 54.731 0.499 18733 3100 1 9 . 1 1 39 39 ALA CB C 39 20.477 20.477 17.858 2.619 18733 3101 1 9 . 1 1 40 40 LEU N N 40 116.794 116.794 119.421 -2.627 18733 3102 1 9 . 1 1 40 40 LEU HA H 40 2.741 2.741 3.871 -1.130 18733 3103 1 9 . 1 1 40 40 LEU CA C 40 56.979 56.979 56.851 0.128 18733 3104 1 9 . 1 1 40 40 LEU CB C 40 40.563 40.563 41.315 -0.752 18733 3105 1 9 . 1 1 41 41 ALA N N 41 120.249 120.249 122.269 -2.020 18733 3106 1 9 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.812 -0.149 18733 3107 1 9 . 1 1 41 41 ALA CA C 41 54.943 54.943 55.239 -0.296 18733 3108 1 9 . 1 1 41 41 ALA CB C 41 17.512 17.512 18.145 -0.633 18733 3109 1 9 . 1 1 42 42 ARG N N 42 118.787 118.787 115.851 2.936 18733 3110 1 9 . 1 1 42 42 ARG HA H 42 3.315 3.315 3.966 -0.651 18733 3111 1 9 . 1 1 42 42 ARG CA C 42 60.027 60.027 57.815 2.212 18733 3112 1 9 . 1 1 42 42 ARG CB C 42 29.084 29.084 29.670 -0.586 18733 3113 1 9 . 1 1 43 43 TYR N N 43 122.429 122.429 120.192 2.237 18733 3114 1 9 . 1 1 43 43 TYR HA H 43 3.956 3.956 4.311 -0.355 18733 3115 1 9 . 1 1 43 43 TYR CA C 43 63.225 63.225 60.762 2.463 18733 3116 1 9 . 1 1 43 43 TYR CB C 43 39.819 39.819 39.338 0.481 18733 3117 1 9 . 1 1 44 44 ASN N N 44 116.736 116.736 117.130 -0.394 18733 3118 1 9 . 1 1 44 44 ASN HA H 44 4.170 4.170 4.551 -0.381 18733 3119 1 9 . 1 1 44 44 ASN CA C 44 56.267 56.267 55.191 1.076 18733 3120 1 9 . 1 1 44 44 ASN CB C 44 37.894 37.894 38.138 -0.244 18733 3121 1 9 . 1 1 45 45 ALA N N 45 124.950 124.950 122.218 2.732 18733 3122 1 9 . 1 1 45 45 ALA HA H 45 3.862 3.862 4.326 -0.464 18733 3123 1 9 . 1 1 45 45 ALA CA C 45 55.465 55.465 54.528 0.937 18733 3124 1 9 . 1 1 45 45 ALA CB C 45 18.587 18.587 18.150 0.437 18733 3125 1 9 . 1 1 46 46 TRP N N 46 119.686 119.686 121.218 -1.532 18733 3126 1 9 . 1 1 46 46 TRP HA H 46 2.849 2.849 4.137 -1.288 18733 3127 1 9 . 1 1 46 46 TRP CA C 46 60.783 60.783 61.468 -0.685 18733 3128 1 9 . 1 1 46 46 TRP CB C 46 26.470 26.470 28.956 -2.486 18733 3129 1 9 . 1 1 47 47 PHE N N 47 121.090 121.090 116.264 4.826 18733 3130 1 9 . 1 1 47 47 PHE HA H 47 2.939 2.939 4.361 -1.422 18733 3131 1 9 . 1 1 47 47 PHE CA C 47 59.116 59.116 60.180 -1.064 18733 3132 1 9 . 1 1 47 47 PHE CB C 47 38.212 38.212 38.843 -0.631 18733 3133 1 9 . 1 1 48 48 GLY N N 48 109.386 109.386 107.572 1.814 18733 3134 1 9 . 1 1 48 48 GLY CA C 48 47.209 47.209 47.110 0.099 18733 3135 1 9 . 1 1 49 49 SER N N 49 118.098 118.098 116.174 1.924 18733 3136 1 9 . 1 1 49 49 SER CA C 49 62.016 62.016 61.133 0.883 18733 3137 1 9 . 1 1 49 49 SER CB C 49 63.411 63.411 62.625 0.786 18733 3138 1 9 . 1 1 50 50 THR N N 50 110.801 110.801 114.715 -3.914 18733 3139 1 9 . 1 1 50 50 THR HA H 50 3.851 3.851 4.358 -0.507 18733 3140 1 9 . 1 1 50 50 THR CA C 50 63.914 63.914 61.484 2.430 18733 3141 1 9 . 1 1 50 50 THR CB C 50 69.676 69.676 68.540 1.136 18733 3142 1 9 . 1 1 51 51 SER N N 51 115.249 115.249 116.770 -1.521 18733 3143 1 9 . 1 1 51 51 SER HA H 51 3.990 3.990 4.370 -0.380 18733 3144 1 9 . 1 1 51 51 SER CA C 51 59.360 59.360 60.103 -0.743 18733 3145 1 9 . 1 1 51 51 SER CB C 51 63.142 63.142 63.687 -0.545 18733 3146 1 9 . 1 1 52 52 PHE N N 52 118.004 118.004 117.310 0.694 18733 3147 1 9 . 1 1 52 52 PHE HA H 52 4.861 4.861 4.672 0.189 18733 3148 1 9 . 1 1 52 52 PHE CA C 52 57.045 57.045 57.016 0.029 18733 3149 1 9 . 1 1 52 52 PHE CB C 52 42.165 42.165 41.693 0.472 18733 3150 1 9 . 1 1 53 53 GLU N N 53 119.224 119.224 118.246 0.978 18733 3151 1 9 . 1 1 53 53 GLU HA H 53 4.415 4.415 4.417 -0.002 18733 3152 1 9 . 1 1 53 53 GLU CA C 53 57.653 57.653 56.854 0.799 18733 3153 1 9 . 1 1 53 53 GLU CB C 53 31.679 31.679 30.453 1.226 18733 3154 1 9 . 1 1 54 54 THR N N 54 105.230 105.230 111.608 -6.378 18733 3155 1 9 . 1 1 54 54 THR HA H 54 4.529 4.529 4.617 -0.088 18733 3156 1 9 . 1 1 54 54 THR CA C 54 58.360 58.360 59.590 -1.230 18733 3157 1 9 . 1 1 54 54 THR CB C 54 73.366 73.366 72.443 0.923 18733 3158 1 9 . 1 1 55 55 LYS N N 55 122.509 122.509 121.620 0.889 18733 3159 1 9 . 1 1 55 55 LYS HA H 55 2.752 2.752 4.048 -1.296 18733 3160 1 9 . 1 1 55 55 LYS CA C 55 58.567 58.567 58.894 -0.327 18733 3161 1 9 . 1 1 55 55 LYS CB C 55 32.829 32.829 32.044 0.785 18733 3162 1 9 . 1 1 56 56 GLU N N 56 117.867 117.867 119.474 -1.607 18733 3163 1 9 . 1 1 56 56 GLU HA H 56 3.785 3.785 3.982 -0.197 18733 3164 1 9 . 1 1 56 56 GLU CA C 56 60.334 60.334 59.558 0.776 18733 3165 1 9 . 1 1 56 56 GLU CB C 56 28.185 28.185 29.104 -0.919 18733 3166 1 9 . 1 1 57 57 GLN N N 57 119.487 119.487 117.583 1.904 18733 3167 1 9 . 1 1 57 57 GLN HA H 57 3.788 3.788 3.799 -0.011 18733 3168 1 9 . 1 1 57 57 GLN CA C 57 58.056 58.056 57.600 0.456 18733 3169 1 9 . 1 1 57 57 GLN CB C 57 28.577 28.577 28.333 0.244 18733 3170 1 9 . 1 1 58 58 MET N N 58 118.284 118.284 119.187 -0.903 18733 3171 1 9 . 1 1 58 58 MET HA H 58 2.029 2.029 4.116 -2.087 18733 3172 1 9 . 1 1 58 58 MET CA C 58 58.862 58.862 58.765 0.097 18733 3173 1 9 . 1 1 58 58 MET CB C 58 30.814 30.814 32.786 -1.972 18733 3174 1 9 . 1 1 59 59 GLN N N 59 116.663 116.663 119.710 -3.047 18733 3175 1 9 . 1 1 59 59 GLN HA H 59 3.578 3.578 4.065 -0.487 18733 3176 1 9 . 1 1 59 59 GLN CA C 59 59.361 59.361 58.922 0.439 18733 3177 1 9 . 1 1 59 59 GLN CB C 59 28.975 28.975 28.619 0.356 18733 3178 1 9 . 1 1 60 60 ALA N N 60 119.084 119.084 120.011 -0.927 18733 3179 1 9 . 1 1 60 60 ALA HA H 60 4.028 4.028 4.229 -0.201 18733 3180 1 9 . 1 1 60 60 ALA CA C 60 54.245 54.245 53.707 0.538 18733 3181 1 9 . 1 1 60 60 ALA CB C 60 18.161 18.161 18.084 0.077 18733 3182 1 9 . 1 1 61 61 LYS N N 61 115.215 115.215 116.669 -1.454 18733 3183 1 9 . 1 1 61 61 LYS HA H 61 4.517 4.517 4.690 -0.173 18733 3184 1 9 . 1 1 61 61 LYS CA C 61 54.188 54.188 55.555 -1.367 18733 3185 1 9 . 1 1 61 61 LYS CB C 61 33.239 33.239 32.877 0.362 18733 3186 1 9 . 1 1 62 62 LYS N N 62 122.199 122.199 120.689 1.510 18733 3187 1 9 . 1 1 62 62 LYS HA H 62 3.582 3.582 3.909 -0.327 18733 3188 1 9 . 1 1 62 62 LYS CA C 62 61.271 61.271 59.756 1.515 18733 3189 1 9 . 1 1 62 62 LYS CB C 62 33.052 33.052 31.661 1.391 18733 3190 1 9 . 1 1 63 63 GLN N N 63 117.101 117.101 116.799 0.302 18733 3191 1 9 . 1 1 63 63 GLN HA H 63 3.767 3.767 4.164 -0.397 18733 3192 1 9 . 1 1 63 63 GLN CA C 63 58.948 58.948 57.475 1.473 18733 3193 1 9 . 1 1 63 63 GLN CB C 63 27.823 27.823 27.970 -0.147 18733 3194 1 9 . 1 1 64 64 GLU N N 64 119.459 119.459 117.516 1.943 18733 3195 1 9 . 1 1 64 64 GLU HA H 64 4.035 4.035 4.166 -0.131 18733 3196 1 9 . 1 1 64 64 GLU CA C 64 59.672 59.672 58.441 1.231 18733 3197 1 9 . 1 1 64 64 GLU CB C 64 29.755 29.755 29.877 -0.122 18733 3198 1 9 . 1 1 65 65 MET N N 65 118.493 118.493 115.221 3.272 18733 3199 1 9 . 1 1 65 65 MET HA H 65 4.077 4.077 4.333 -0.256 18733 3200 1 9 . 1 1 65 65 MET CA C 65 59.488 59.488 57.945 1.543 18733 3201 1 9 . 1 1 65 65 MET CB C 65 34.335 34.335 33.075 1.260 18733 3202 1 9 . 1 1 66 66 MET N N 66 117.848 117.848 116.187 1.661 18733 3203 1 9 . 1 1 66 66 MET HA H 66 4.127 4.127 4.368 -0.241 18733 3204 1 9 . 1 1 66 66 MET CA C 66 59.790 59.790 56.757 3.033 18733 3205 1 9 . 1 1 66 66 MET CB C 66 31.196 31.196 32.695 -1.499 18733 3206 1 9 . 1 1 67 67 ASP N N 67 118.987 118.987 121.017 -2.030 18733 3207 1 9 . 1 1 67 67 ASP HA H 67 4.283 4.283 4.380 -0.097 18733 3208 1 9 . 1 1 67 67 ASP CA C 67 57.892 57.892 57.530 0.362 18733 3209 1 9 . 1 1 67 67 ASP CB C 67 39.885 39.885 41.224 -1.339 18733 3210 1 9 . 1 1 68 68 TYR N N 68 119.790 119.790 113.099 6.691 18733 3211 1 9 . 1 1 68 68 TYR HA H 68 4.118 4.118 4.712 -0.594 18733 3212 1 9 . 1 1 68 68 TYR CA C 68 61.588 61.588 56.160 5.428 18733 3213 1 9 . 1 1 68 68 TYR CB C 68 37.806 37.806 38.236 -0.430 18733 3214 1 9 . 1 1 69 69 TYR N N 69 118.552 118.552 119.571 -1.019 18733 3215 1 9 . 1 1 69 69 TYR HA H 69 4.057 4.057 3.948 0.109 18733 3216 1 9 . 1 1 69 69 TYR CA C 69 62.536 62.536 59.407 3.129 18733 3217 1 9 . 1 1 69 69 TYR CB C 69 37.582 37.582 38.302 -0.720 18733 3218 1 9 . 1 1 70 70 MET N N 70 117.939 117.939 116.480 1.459 18733 3219 1 9 . 1 1 70 70 MET HA H 70 4.489 4.489 4.215 0.274 18733 3220 1 9 . 1 1 70 70 MET CA C 70 58.947 58.947 58.361 0.586 18733 3221 1 9 . 1 1 70 70 MET CB C 70 31.380 31.380 32.650 -1.270 18733 3222 1 9 . 1 1 71 71 ASP N N 71 120.118 120.118 118.892 1.226 18733 3223 1 9 . 1 1 71 71 ASP HA H 71 4.390 4.390 4.781 -0.391 18733 3224 1 9 . 1 1 71 71 ASP CA C 71 57.730 57.730 54.368 3.362 18733 3225 1 9 . 1 1 71 71 ASP CB C 71 40.050 40.050 39.987 0.063 18733 3226 1 9 . 1 1 72 72 ARG N N 72 118.091 118.091 119.471 -1.380 18733 3227 1 9 . 1 1 72 72 ARG HA H 72 4.107 4.107 4.618 -0.511 18733 3228 1 9 . 1 1 72 72 ARG CA C 72 58.260 58.260 56.605 1.655 18733 3229 1 9 . 1 1 72 72 ARG CB C 72 31.091 31.091 32.053 -0.962 18733 3230 1 9 . 1 1 73 73 TYR N N 73 121.878 121.878 118.885 2.993 18733 3231 1 9 . 1 1 73 73 TYR HA H 73 4.178 4.178 4.728 -0.550 18733 3232 1 9 . 1 1 73 73 TYR CA C 73 61.440 61.440 55.250 6.190 18733 3233 1 9 . 1 1 73 73 TYR CB C 73 38.677 38.677 37.311 1.366 18733 3234 1 9 . 1 1 74 74 LYS N N 74 119.791 119.791 122.789 -2.998 18733 3235 1 9 . 1 1 74 74 LYS HA H 74 3.564 3.564 3.740 -0.176 18733 3236 1 9 . 1 1 74 74 LYS CA C 74 60.621 60.621 60.511 0.110 18733 3237 1 9 . 1 1 74 74 LYS CB C 74 32.225 32.225 32.173 0.052 18733 3238 1 9 . 1 1 75 75 GLU N N 75 116.140 116.140 117.819 -1.679 18733 3239 1 9 . 1 1 75 75 GLU HA H 75 4.004 4.004 4.081 -0.077 18733 3240 1 9 . 1 1 75 75 GLU CA C 75 59.293 59.293 58.903 0.390 18733 3241 1 9 . 1 1 75 75 GLU CB C 75 29.627 29.627 28.743 0.884 18733 3242 1 9 . 1 1 76 76 MET N N 76 119.200 119.200 117.894 1.306 18733 3243 1 9 . 1 1 76 76 MET HA H 76 4.250 4.250 4.233 0.017 18733 3244 1 9 . 1 1 76 76 MET CA C 76 60.058 60.058 58.370 1.688 18733 3245 1 9 . 1 1 76 76 MET CB C 76 32.751 32.751 32.612 0.139 18733 3246 1 9 . 1 1 77 77 LEU N N 77 125.191 125.191 120.125 5.066 18733 3247 1 9 . 1 1 77 77 LEU HA H 77 3.703 3.703 4.000 -0.297 18733 3248 1 9 . 1 1 77 77 LEU CA C 77 58.589 58.589 57.380 1.208 18733 3249 1 9 . 1 1 77 77 LEU CB C 77 41.650 41.650 42.093 -0.443 18733 3250 1 9 . 1 1 78 78 ASP N N 78 119.843 119.843 119.943 -0.100 18733 3251 1 9 . 1 1 78 78 ASP HA H 78 4.177 4.177 4.295 -0.118 18733 3252 1 9 . 1 1 78 78 ASP CA C 78 58.584 58.584 57.238 1.346 18733 3253 1 9 . 1 1 78 78 ASP CB C 78 42.352 42.352 40.712 1.640 18733 3254 1 9 . 1 1 79 79 ALA N N 79 117.168 117.168 118.938 -1.770 18733 3255 1 9 . 1 1 79 79 ALA HA H 79 4.077 4.077 4.483 -0.406 18733 3256 1 9 . 1 1 79 79 ALA CA C 79 55.317 55.317 53.965 1.352 18733 3257 1 9 . 1 1 79 79 ALA CB C 79 18.335 18.335 18.630 -0.295 18733 3258 1 9 . 1 1 80 80 ASN N N 80 115.882 115.882 115.243 0.639 18733 3259 1 9 . 1 1 80 80 ASN HA H 80 4.416 4.416 4.871 -0.455 18733 3260 1 9 . 1 1 80 80 ASN CA C 80 57.791 57.791 54.638 3.153 18733 3261 1 9 . 1 1 80 80 ASN CB C 80 40.251 40.251 39.523 0.728 18733 3262 1 9 . 1 1 81 81 MET N N 81 120.945 120.945 120.155 0.790 18733 3263 1 9 . 1 1 81 81 MET HA H 81 4.129 4.129 4.338 -0.209 18733 3264 1 9 . 1 1 81 81 MET CA C 81 58.954 58.954 58.080 0.874 18733 3265 1 9 . 1 1 81 81 MET CB C 81 31.937 31.937 32.195 -0.258 18733 3266 1 9 . 1 1 82 82 GLU N N 82 116.578 116.578 118.523 -1.945 18733 3267 1 9 . 1 1 82 82 GLU HA H 82 3.979 3.979 3.966 0.013 18733 3268 1 9 . 1 1 82 82 GLU CA C 82 59.214 59.214 59.648 -0.433 18733 3269 1 9 . 1 1 82 82 GLU CB C 82 29.207 29.207 28.807 0.400 18733 3270 1 9 . 1 1 83 83 ASP N N 83 119.199 119.199 121.022 -1.823 18733 3271 1 9 . 1 1 83 83 ASP HA H 83 4.399 4.399 4.274 0.125 18733 3272 1 9 . 1 1 83 83 ASP CA C 83 57.554 57.554 57.107 0.447 18733 3273 1 9 . 1 1 83 83 ASP CB C 83 42.088 42.088 40.324 1.764 18733 3274 1 9 . 1 1 84 84 TYR N N 84 117.904 117.904 117.883 0.021 18733 3275 1 9 . 1 1 84 84 TYR HA H 84 3.931 3.931 4.551 -0.620 18733 3276 1 9 . 1 1 84 84 TYR CA C 84 63.663 63.663 60.388 3.275 18733 3277 1 9 . 1 1 84 84 TYR CB C 84 39.134 39.134 38.661 0.473 18733 3278 1 9 . 1 1 85 85 ILE N N 85 116.362 116.362 119.349 -2.987 18733 3279 1 9 . 1 1 85 85 ILE HA H 85 3.752 3.752 3.713 0.039 18733 3280 1 9 . 1 1 85 85 ILE CA C 85 66.287 66.287 64.758 1.529 18733 3281 1 9 . 1 1 85 85 ILE CB C 85 38.815 38.815 38.170 0.645 18733 3282 1 9 . 1 1 86 86 GLU N N 86 117.696 117.696 118.034 -0.338 18733 3283 1 9 . 1 1 86 86 GLU HA H 86 3.896 3.896 4.182 -0.286 18733 3284 1 9 . 1 1 86 86 GLU CA C 86 59.290 59.290 58.967 0.323 18733 3285 1 9 . 1 1 86 86 GLU CB C 86 29.660 29.660 29.359 0.301 18733 3286 1 9 . 1 1 87 87 ASN N N 87 113.943 113.943 117.286 -3.343 18733 3287 1 9 . 1 1 87 87 ASN HA H 87 4.933 4.933 4.969 -0.036 18733 3288 1 9 . 1 1 87 87 ASN CA C 87 52.462 52.462 53.105 -0.643 18733 3289 1 9 . 1 1 87 87 ASN CB C 87 38.847 38.847 39.288 -0.441 18733 3290 1 9 . 1 1 88 88 PHE N N 88 123.733 123.733 122.756 0.977 18733 3291 1 9 . 1 1 88 88 PHE HA H 88 4.141 4.141 4.332 -0.191 18733 3292 1 9 . 1 1 88 88 PHE CA C 88 63.888 63.888 62.337 1.551 18733 3293 1 9 . 1 1 88 88 PHE CB C 88 41.768 41.768 39.276 2.491 18733 3294 1 9 . 1 1 89 89 ASP N N 89 117.257 117.257 116.836 0.421 18733 3295 1 9 . 1 1 89 89 ASP HA H 89 4.386 4.386 4.117 0.269 18733 3296 1 9 . 1 1 89 89 ASP CA C 89 57.468 57.468 56.211 1.257 18733 3297 1 9 . 1 1 89 89 ASP CB C 89 39.886 39.886 40.159 -0.273 18733 3298 1 9 . 1 1 90 90 HIS N N 90 121.385 121.385 119.164 2.221 18733 3299 1 9 . 1 1 90 90 HIS HA H 90 4.294 4.294 4.329 -0.035 18733 3300 1 9 . 1 1 90 90 HIS CA C 90 59.081 59.081 58.870 0.211 18733 3301 1 9 . 1 1 90 90 HIS CB C 90 29.949 29.949 31.078 -1.129 18733 3302 1 9 . 1 1 91 91 TYR N N 91 118.440 118.440 118.651 -0.211 18733 3303 1 9 . 1 1 91 91 TYR HA H 91 4.192 4.192 4.633 -0.441 18733 3304 1 9 . 1 1 91 91 TYR CA C 91 59.618 59.618 61.203 -1.585 18733 3305 1 9 . 1 1 91 91 TYR CB C 91 36.860 36.860 38.577 -1.716 18733 3306 1 9 . 1 1 92 92 ARG N N 92 119.028 119.028 118.552 0.476 18733 3307 1 9 . 1 1 92 92 ARG HA H 92 4.023 4.023 4.101 -0.078 18733 3308 1 9 . 1 1 92 92 ARG CA C 92 57.308 57.308 57.300 0.008 18733 3309 1 9 . 1 1 92 92 ARG CB C 92 29.129 29.129 29.880 -0.751 18733 3310 1 9 . 1 1 93 93 ALA N N 93 120.513 120.513 119.332 1.181 18733 3311 1 9 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.251 -0.040 18733 3312 1 9 . 1 1 93 93 ALA CA C 93 53.603 53.603 53.901 -0.298 18733 3313 1 9 . 1 1 93 93 ALA CB C 93 18.864 18.864 19.508 -0.644 18733 3314 1 9 . 1 1 94 94 THR N N 94 108.668 108.668 110.008 -1.340 18733 3315 1 9 . 1 1 94 94 THR HA H 94 4.249 4.249 4.157 0.092 18733 3316 1 9 . 1 1 94 94 THR CA C 94 62.170 62.170 62.858 -0.688 18733 3317 1 9 . 1 1 94 94 THR CB C 94 70.164 70.164 68.931 1.233 18733 3318 1 9 . 1 1 95 95 GLN N N 95 122.873 122.873 118.902 3.971 18733 3319 1 9 . 1 1 95 95 GLN HA H 95 4.288 4.288 4.574 -0.286 18733 3320 1 9 . 1 1 95 95 GLN CA C 95 56.073 56.073 54.761 1.312 18733 3321 1 9 . 1 1 95 95 GLN CB C 95 28.903 28.903 30.518 -1.615 18733 3322 1 10 . 1 1 2 2 ASN HA H 2 4.590 4.590 4.735 -0.145 18733 3323 1 10 . 1 1 2 2 ASN CA C 2 53.554 53.554 53.597 -0.043 18733 3324 1 10 . 1 1 2 2 ASN CB C 2 38.650 38.650 38.792 -0.142 18733 3325 1 10 . 1 1 3 3 ASN HA H 3 4.526 4.526 4.915 -0.389 18733 3326 1 10 . 1 1 3 3 ASN CA C 3 53.720 53.720 53.018 0.702 18733 3327 1 10 . 1 1 3 3 ASN CB C 3 38.473 38.473 38.540 -0.067 18733 3328 1 10 . 1 1 4 4 GLU N N 4 121.638 121.638 125.657 -4.019 18733 3329 1 10 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.135 -0.049 18733 3330 1 10 . 1 1 4 4 GLU CA C 4 57.656 57.656 59.479 -1.823 18733 3331 1 10 . 1 1 4 4 GLU CB C 4 29.649 29.649 30.095 -0.446 18733 3332 1 10 . 1 1 5 5 ASN N N 5 118.543 118.543 113.473 5.070 18733 3333 1 10 . 1 1 5 5 ASN HA H 5 4.531 4.531 4.710 -0.179 18733 3334 1 10 . 1 1 5 5 ASN CA C 5 55.114 55.114 53.641 1.473 18733 3335 1 10 . 1 1 5 5 ASN CB C 5 38.417 38.417 39.759 -1.342 18733 3336 1 10 . 1 1 6 6 ALA N N 6 123.531 123.531 120.994 2.537 18733 3337 1 10 . 1 1 6 6 ALA HA H 6 4.057 4.057 4.383 -0.326 18733 3338 1 10 . 1 1 6 6 ALA CA C 6 55.266 55.266 50.907 4.359 18733 3339 1 10 . 1 1 6 6 ALA CB C 6 18.099 18.099 19.345 -1.246 18733 3340 1 10 . 1 1 7 7 PHE N N 7 119.588 119.588 117.322 2.266 18733 3341 1 10 . 1 1 7 7 PHE HA H 7 3.777 3.777 4.661 -0.884 18733 3342 1 10 . 1 1 7 7 PHE CA C 7 61.179 61.179 55.109 6.070 18733 3343 1 10 . 1 1 7 7 PHE CB C 7 38.947 38.947 35.764 3.183 18733 3344 1 10 . 1 1 8 8 TYR N N 8 116.300 116.300 122.783 -6.483 18733 3345 1 10 . 1 1 8 8 TYR HA H 8 4.007 4.007 4.155 -0.148 18733 3346 1 10 . 1 1 8 8 TYR CA C 8 61.117 61.117 62.728 -1.611 18733 3347 1 10 . 1 1 8 8 TYR CB C 8 37.370 37.370 36.981 0.389 18733 3348 1 10 . 1 1 9 9 ALA N N 9 124.516 124.516 119.176 5.340 18733 3349 1 10 . 1 1 9 9 ALA HA H 9 4.074 4.074 4.217 -0.143 18733 3350 1 10 . 1 1 9 9 ALA CA C 9 55.415 55.415 54.343 1.072 18733 3351 1 10 . 1 1 9 9 ALA CB C 9 17.797 17.797 18.367 -0.570 18733 3352 1 10 . 1 1 10 10 ARG N N 10 118.255 118.255 118.524 -0.269 18733 3353 1 10 . 1 1 10 10 ARG HA H 10 3.857 3.857 4.357 -0.500 18733 3354 1 10 . 1 1 10 10 ARG CA C 10 60.070 60.070 57.249 2.821 18733 3355 1 10 . 1 1 10 10 ARG CB C 10 31.179 31.179 30.864 0.315 18733 3356 1 10 . 1 1 11 11 ALA N N 11 119.258 119.258 122.884 -3.626 18733 3357 1 10 . 1 1 11 11 ALA HA H 11 4.079 4.079 4.095 -0.016 18733 3358 1 10 . 1 1 11 11 ALA CA C 11 55.152 55.152 55.169 -0.017 18733 3359 1 10 . 1 1 11 11 ALA CB C 11 19.072 19.072 18.029 1.043 18733 3360 1 10 . 1 1 12 12 THR N N 12 114.669 114.669 112.567 2.102 18733 3361 1 10 . 1 1 12 12 THR HA H 12 3.761 3.761 4.072 -0.311 18733 3362 1 10 . 1 1 12 12 THR CA C 12 67.028 67.028 65.656 1.372 18733 3363 1 10 . 1 1 12 12 THR CB C 12 68.661 68.661 68.640 0.021 18733 3364 1 10 . 1 1 13 13 GLU N N 13 120.838 120.838 120.926 -0.088 18733 3365 1 10 . 1 1 13 13 GLU HA H 13 3.782 3.782 4.179 -0.397 18733 3366 1 10 . 1 1 13 13 GLU CA C 13 59.781 59.781 59.054 0.727 18733 3367 1 10 . 1 1 13 13 GLU CB C 13 29.713 29.713 29.494 0.219 18733 3368 1 10 . 1 1 14 14 LEU N N 14 119.831 119.831 120.533 -0.702 18733 3369 1 10 . 1 1 14 14 LEU HA H 14 3.616 3.616 4.194 -0.578 18733 3370 1 10 . 1 1 14 14 LEU CA C 14 58.363 58.363 57.858 0.504 18733 3371 1 10 . 1 1 14 14 LEU CB C 14 42.109 42.109 41.422 0.688 18733 3372 1 10 . 1 1 15 15 ILE N N 15 119.150 119.150 117.505 1.645 18733 3373 1 10 . 1 1 15 15 ILE HA H 15 3.376 3.376 3.493 -0.117 18733 3374 1 10 . 1 1 15 15 ILE CA C 15 66.274 66.274 64.947 1.327 18733 3375 1 10 . 1 1 15 15 ILE CB C 15 38.343 38.343 37.417 0.926 18733 3376 1 10 . 1 1 16 16 LYS N N 16 118.734 118.734 119.487 -0.753 18733 3377 1 10 . 1 1 16 16 LYS HA H 16 3.808 3.808 4.017 -0.209 18733 3378 1 10 . 1 1 16 16 LYS CA C 16 59.950 59.950 59.039 0.911 18733 3379 1 10 . 1 1 16 16 LYS CB C 16 32.109 32.109 32.120 -0.011 18733 3380 1 10 . 1 1 17 17 LEU N N 17 121.376 121.376 120.054 1.322 18733 3381 1 10 . 1 1 17 17 LEU HA H 17 4.017 4.017 4.182 -0.165 18733 3382 1 10 . 1 1 17 17 LEU CA C 17 57.733 57.733 57.710 0.023 18733 3383 1 10 . 1 1 17 17 LEU CB C 17 40.385 40.385 41.213 -0.828 18733 3384 1 10 . 1 1 18 18 ALA N N 18 123.298 123.298 121.171 2.127 18733 3385 1 10 . 1 1 18 18 ALA HA H 18 3.547 3.547 4.037 -0.490 18733 3386 1 10 . 1 1 18 18 ALA CA C 18 55.031 55.031 54.871 0.160 18733 3387 1 10 . 1 1 18 18 ALA CB C 18 17.716 17.716 18.462 -0.746 18733 3388 1 10 . 1 1 19 19 ASN N N 19 114.581 114.581 116.376 -1.795 18733 3389 1 10 . 1 1 19 19 ASN HA H 19 4.504 4.504 4.408 0.096 18733 3390 1 10 . 1 1 19 19 ASN CA C 19 55.633 55.633 55.973 -0.340 18733 3391 1 10 . 1 1 19 19 ASN CB C 19 37.683 37.683 37.966 -0.283 18733 3392 1 10 . 1 1 20 20 GLN N N 20 122.054 122.054 118.710 3.344 18733 3393 1 10 . 1 1 20 20 GLN HA H 20 3.959 3.959 4.245 -0.286 18733 3394 1 10 . 1 1 20 20 GLN CA C 20 58.913 58.913 58.145 0.768 18733 3395 1 10 . 1 1 20 20 GLN CB C 20 28.293 28.293 28.655 -0.362 18733 3396 1 10 . 1 1 21 21 GLN N N 21 120.962 120.962 119.352 1.610 18733 3397 1 10 . 1 1 21 21 GLN HA H 21 3.863 3.863 4.143 -0.280 18733 3398 1 10 . 1 1 21 21 GLN CA C 21 58.371 58.371 58.339 0.032 18733 3399 1 10 . 1 1 21 21 GLN CB C 21 27.603 27.603 28.558 -0.955 18733 3400 1 10 . 1 1 22 22 ASN N N 22 114.486 114.486 116.876 -2.390 18733 3401 1 10 . 1 1 22 22 ASN HA H 22 4.550 4.550 4.562 -0.012 18733 3402 1 10 . 1 1 22 22 ASN CA C 22 53.545 53.545 54.587 -1.042 18733 3403 1 10 . 1 1 22 22 ASN CB C 22 39.752 39.752 38.591 1.161 18733 3404 1 10 . 1 1 23 23 GLN N N 23 117.002 117.002 116.804 0.198 18733 3405 1 10 . 1 1 23 23 GLN HA H 23 4.121 4.121 4.328 -0.207 18733 3406 1 10 . 1 1 23 23 GLN CA C 23 56.336 56.336 55.261 1.075 18733 3407 1 10 . 1 1 23 23 GLN CB C 23 28.367 28.367 28.643 -0.276 18733 3408 1 10 . 1 1 24 24 ASN N N 24 117.868 117.868 119.524 -1.656 18733 3409 1 10 . 1 1 24 24 ASN HA H 24 4.554 4.554 4.670 -0.116 18733 3410 1 10 . 1 1 24 24 ASN CA C 24 53.550 53.550 53.455 0.095 18733 3411 1 10 . 1 1 24 24 ASN CB C 24 38.856 38.856 39.260 -0.404 18733 3412 1 10 . 1 1 25 25 THR N N 25 115.612 115.612 118.214 -2.602 18733 3413 1 10 . 1 1 25 25 THR HA H 25 4.193 4.193 4.162 0.031 18733 3414 1 10 . 1 1 25 25 THR CA C 25 63.026 63.026 64.202 -1.176 18733 3415 1 10 . 1 1 25 25 THR CB C 25 69.388 69.388 69.384 0.004 18733 3416 1 10 . 1 1 26 26 GLU N N 26 119.600 119.600 119.390 0.210 18733 3417 1 10 . 1 1 26 26 GLU HA H 26 4.213 4.213 4.206 0.007 18733 3418 1 10 . 1 1 26 26 GLU CA C 26 56.803 56.803 57.350 -0.547 18733 3419 1 10 . 1 1 26 26 GLU CB C 26 29.566 29.566 29.399 0.167 18733 3420 1 10 . 1 1 27 27 ILE N N 27 118.383 118.383 119.070 -0.687 18733 3421 1 10 . 1 1 27 27 ILE HA H 27 4.320 4.320 4.191 0.129 18733 3422 1 10 . 1 1 27 27 ILE CA C 27 59.638 59.638 60.130 -0.492 18733 3423 1 10 . 1 1 27 27 ILE CB C 27 39.531 39.531 39.228 0.303 18733 3424 1 10 . 1 1 28 28 GLN N N 28 122.321 122.321 119.429 2.892 18733 3425 1 10 . 1 1 28 28 GLN HA H 28 4.593 4.593 4.628 -0.035 18733 3426 1 10 . 1 1 28 28 GLN CA C 28 54.684 54.684 54.399 0.285 18733 3427 1 10 . 1 1 28 28 GLN CB C 28 30.183 30.183 31.398 -1.215 18733 3428 1 10 . 1 1 29 29 THR N N 29 119.517 119.517 116.010 3.507 18733 3429 1 10 . 1 1 29 29 THR HA H 29 3.916 3.916 3.959 -0.043 18733 3430 1 10 . 1 1 29 29 THR CA C 29 65.895 65.895 66.267 -0.372 18733 3431 1 10 . 1 1 29 29 THR CB C 29 68.708 68.708 68.744 -0.036 18733 3432 1 10 . 1 1 30 30 GLY N N 30 109.285 109.285 110.205 -0.920 18733 3433 1 10 . 1 1 30 30 GLY CA C 30 47.126 47.126 46.959 0.167 18733 3434 1 10 . 1 1 31 31 GLU N N 31 120.940 120.940 122.003 -1.063 18733 3435 1 10 . 1 1 31 31 GLU HA H 31 4.259 4.259 4.206 0.053 18733 3436 1 10 . 1 1 31 31 GLU CA C 31 59.424 59.424 58.761 0.663 18733 3437 1 10 . 1 1 31 31 GLU CB C 31 29.410 29.410 29.353 0.057 18733 3438 1 10 . 1 1 32 32 VAL N N 32 122.718 122.718 120.024 2.694 18733 3439 1 10 . 1 1 32 32 VAL HA H 32 3.568 3.568 3.802 -0.234 18733 3440 1 10 . 1 1 32 32 VAL CA C 32 66.122 66.122 65.921 0.201 18733 3441 1 10 . 1 1 32 32 VAL CB C 32 31.157 31.157 31.758 -0.601 18733 3442 1 10 . 1 1 33 33 SER N N 33 114.886 114.886 116.232 -1.346 18733 3443 1 10 . 1 1 33 33 SER HA H 33 4.112 4.112 4.275 -0.163 18733 3444 1 10 . 1 1 33 33 SER CA C 33 62.119 62.119 61.839 0.280 18733 3445 1 10 . 1 1 33 33 SER CB C 33 63.293 63.293 62.980 0.313 18733 3446 1 10 . 1 1 34 34 ALA N N 34 121.240 121.240 123.406 -2.166 18733 3447 1 10 . 1 1 34 34 ALA HA H 34 4.505 4.505 4.354 0.151 18733 3448 1 10 . 1 1 34 34 ALA CA C 34 55.790 55.790 54.818 0.972 18733 3449 1 10 . 1 1 34 34 ALA CB C 34 18.845 18.845 18.386 0.459 18733 3450 1 10 . 1 1 35 35 SER N N 35 111.131 111.131 114.993 -3.862 18733 3451 1 10 . 1 1 35 35 SER HA H 35 3.420 3.420 4.319 -0.899 18733 3452 1 10 . 1 1 35 35 SER CA C 35 61.316 61.316 61.701 -0.385 18733 3453 1 10 . 1 1 35 35 SER CB C 35 62.547 62.547 63.049 -0.502 18733 3454 1 10 . 1 1 36 36 PHE N N 36 127.676 127.676 122.758 4.918 18733 3455 1 10 . 1 1 36 36 PHE HA H 36 4.490 4.490 4.295 0.195 18733 3456 1 10 . 1 1 36 36 PHE CA C 36 57.592 57.592 61.662 -4.070 18733 3457 1 10 . 1 1 36 36 PHE CB C 36 38.111 38.111 39.151 -1.040 18733 3458 1 10 . 1 1 37 37 MET N N 37 119.851 119.851 120.021 -0.170 18733 3459 1 10 . 1 1 37 37 MET HA H 37 3.859 3.859 4.232 -0.373 18733 3460 1 10 . 1 1 37 37 MET CA C 37 59.444 59.444 59.191 0.253 18733 3461 1 10 . 1 1 37 37 MET CB C 37 33.517 33.517 32.563 0.954 18733 3462 1 10 . 1 1 38 38 TRP N N 38 121.153 121.153 121.215 -0.062 18733 3463 1 10 . 1 1 38 38 TRP HA H 38 3.981 3.981 4.240 -0.259 18733 3464 1 10 . 1 1 38 38 TRP CA C 38 62.129 62.129 60.333 1.796 18733 3465 1 10 . 1 1 38 38 TRP CB C 38 29.930 29.930 29.886 0.044 18733 3466 1 10 . 1 1 39 39 ALA N N 39 119.518 119.518 122.135 -2.617 18733 3467 1 10 . 1 1 39 39 ALA HA H 39 3.880 3.880 3.841 0.039 18733 3468 1 10 . 1 1 39 39 ALA CA C 39 55.231 55.231 54.798 0.433 18733 3469 1 10 . 1 1 39 39 ALA CB C 39 20.477 20.477 17.856 2.621 18733 3470 1 10 . 1 1 40 40 LEU N N 40 116.794 116.794 119.614 -2.820 18733 3471 1 10 . 1 1 40 40 LEU HA H 40 2.741 2.741 3.917 -1.176 18733 3472 1 10 . 1 1 40 40 LEU CA C 40 56.979 56.979 56.990 -0.011 18733 3473 1 10 . 1 1 40 40 LEU CB C 40 40.563 40.563 41.354 -0.791 18733 3474 1 10 . 1 1 41 41 ALA N N 41 120.249 120.249 122.221 -1.972 18733 3475 1 10 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.880 -0.217 18733 3476 1 10 . 1 1 41 41 ALA CA C 41 54.943 54.943 55.083 -0.140 18733 3477 1 10 . 1 1 41 41 ALA CB C 41 17.512 17.512 18.065 -0.553 18733 3478 1 10 . 1 1 42 42 ARG N N 42 118.787 118.787 117.001 1.786 18733 3479 1 10 . 1 1 42 42 ARG HA H 42 3.315 3.315 3.831 -0.516 18733 3480 1 10 . 1 1 42 42 ARG CA C 42 60.027 60.027 58.618 1.409 18733 3481 1 10 . 1 1 42 42 ARG CB C 42 29.084 29.084 30.059 -0.975 18733 3482 1 10 . 1 1 43 43 TYR N N 43 122.429 122.429 119.771 2.658 18733 3483 1 10 . 1 1 43 43 TYR HA H 43 3.956 3.956 4.371 -0.415 18733 3484 1 10 . 1 1 43 43 TYR CA C 43 63.225 63.225 61.071 2.154 18733 3485 1 10 . 1 1 43 43 TYR CB C 43 39.819 39.819 39.204 0.615 18733 3486 1 10 . 1 1 44 44 ASN N N 44 116.736 116.736 118.228 -1.492 18733 3487 1 10 . 1 1 44 44 ASN HA H 44 4.170 4.170 4.562 -0.392 18733 3488 1 10 . 1 1 44 44 ASN CA C 44 56.267 56.267 55.416 0.851 18733 3489 1 10 . 1 1 44 44 ASN CB C 44 37.894 37.894 37.752 0.143 18733 3490 1 10 . 1 1 45 45 ALA N N 45 124.950 124.950 121.451 3.499 18733 3491 1 10 . 1 1 45 45 ALA HA H 45 3.862 3.862 4.359 -0.497 18733 3492 1 10 . 1 1 45 45 ALA CA C 45 55.465 55.465 53.945 1.520 18733 3493 1 10 . 1 1 45 45 ALA CB C 45 18.587 18.587 18.205 0.382 18733 3494 1 10 . 1 1 46 46 TRP N N 46 119.686 119.686 121.080 -1.394 18733 3495 1 10 . 1 1 46 46 TRP HA H 46 2.849 2.849 4.304 -1.455 18733 3496 1 10 . 1 1 46 46 TRP CA C 46 60.783 60.783 58.950 1.833 18733 3497 1 10 . 1 1 46 46 TRP CB C 46 26.470 26.470 28.762 -2.292 18733 3498 1 10 . 1 1 47 47 PHE N N 47 121.090 121.090 115.626 5.464 18733 3499 1 10 . 1 1 47 47 PHE HA H 47 2.939 2.939 4.342 -1.403 18733 3500 1 10 . 1 1 47 47 PHE CA C 47 59.116 59.116 58.639 0.477 18733 3501 1 10 . 1 1 47 47 PHE CB C 47 38.212 38.212 39.233 -1.021 18733 3502 1 10 . 1 1 48 48 GLY N N 48 109.386 109.386 108.235 1.151 18733 3503 1 10 . 1 1 48 48 GLY CA C 48 47.209 47.209 46.899 0.310 18733 3504 1 10 . 1 1 49 49 SER N N 49 118.098 118.098 112.576 5.522 18733 3505 1 10 . 1 1 49 49 SER CA C 49 62.016 62.016 59.033 2.983 18733 3506 1 10 . 1 1 49 49 SER CB C 49 63.411 63.411 63.109 0.302 18733 3507 1 10 . 1 1 50 50 THR N N 50 110.801 110.801 113.971 -3.170 18733 3508 1 10 . 1 1 50 50 THR HA H 50 3.851 3.851 4.570 -0.719 18733 3509 1 10 . 1 1 50 50 THR CA C 50 63.914 63.914 61.453 2.461 18733 3510 1 10 . 1 1 50 50 THR CB C 50 69.676 69.676 69.455 0.221 18733 3511 1 10 . 1 1 51 51 SER N N 51 115.249 115.249 116.080 -0.831 18733 3512 1 10 . 1 1 51 51 SER HA H 51 3.990 3.990 4.500 -0.510 18733 3513 1 10 . 1 1 51 51 SER CA C 51 59.360 59.360 60.064 -0.704 18733 3514 1 10 . 1 1 51 51 SER CB C 51 63.142 63.142 64.168 -1.026 18733 3515 1 10 . 1 1 52 52 PHE N N 52 118.004 118.004 118.332 -0.328 18733 3516 1 10 . 1 1 52 52 PHE HA H 52 4.861 4.861 4.728 0.133 18733 3517 1 10 . 1 1 52 52 PHE CA C 52 57.045 57.045 56.819 0.225 18733 3518 1 10 . 1 1 52 52 PHE CB C 52 42.165 42.165 41.715 0.450 18733 3519 1 10 . 1 1 53 53 GLU N N 53 119.224 119.224 118.383 0.841 18733 3520 1 10 . 1 1 53 53 GLU HA H 53 4.415 4.415 4.395 0.020 18733 3521 1 10 . 1 1 53 53 GLU CA C 53 57.653 57.653 57.168 0.485 18733 3522 1 10 . 1 1 53 53 GLU CB C 53 31.679 31.679 30.250 1.429 18733 3523 1 10 . 1 1 54 54 THR N N 54 105.230 105.230 111.544 -6.314 18733 3524 1 10 . 1 1 54 54 THR HA H 54 4.529 4.529 4.553 -0.024 18733 3525 1 10 . 1 1 54 54 THR CA C 54 58.360 58.360 59.728 -1.368 18733 3526 1 10 . 1 1 54 54 THR CB C 54 73.366 73.366 72.380 0.986 18733 3527 1 10 . 1 1 55 55 LYS N N 55 122.509 122.509 121.390 1.119 18733 3528 1 10 . 1 1 55 55 LYS HA H 55 2.752 2.752 4.022 -1.270 18733 3529 1 10 . 1 1 55 55 LYS CA C 55 58.567 58.567 59.175 -0.608 18733 3530 1 10 . 1 1 55 55 LYS CB C 55 32.829 32.829 31.828 1.002 18733 3531 1 10 . 1 1 56 56 GLU N N 56 117.867 117.867 118.728 -0.861 18733 3532 1 10 . 1 1 56 56 GLU HA H 56 3.785 3.785 4.076 -0.291 18733 3533 1 10 . 1 1 56 56 GLU CA C 56 60.334 60.334 59.569 0.765 18733 3534 1 10 . 1 1 56 56 GLU CB C 56 28.185 28.185 28.805 -0.620 18733 3535 1 10 . 1 1 57 57 GLN N N 57 119.487 119.487 117.272 2.215 18733 3536 1 10 . 1 1 57 57 GLN HA H 57 3.788 3.788 3.938 -0.150 18733 3537 1 10 . 1 1 57 57 GLN CA C 57 58.056 58.056 57.075 0.981 18733 3538 1 10 . 1 1 57 57 GLN CB C 57 28.577 28.577 28.757 -0.180 18733 3539 1 10 . 1 1 58 58 MET N N 58 118.284 118.284 119.785 -1.501 18733 3540 1 10 . 1 1 58 58 MET HA H 58 2.029 2.029 4.051 -2.022 18733 3541 1 10 . 1 1 58 58 MET CA C 58 58.862 58.862 58.987 -0.125 18733 3542 1 10 . 1 1 58 58 MET CB C 58 30.814 30.814 32.828 -2.014 18733 3543 1 10 . 1 1 59 59 GLN N N 59 116.663 116.663 119.327 -2.664 18733 3544 1 10 . 1 1 59 59 GLN HA H 59 3.578 3.578 3.988 -0.410 18733 3545 1 10 . 1 1 59 59 GLN CA C 59 59.361 59.361 58.839 0.522 18733 3546 1 10 . 1 1 59 59 GLN CB C 59 28.975 28.975 28.719 0.256 18733 3547 1 10 . 1 1 60 60 ALA N N 60 119.084 119.084 119.217 -0.133 18733 3548 1 10 . 1 1 60 60 ALA HA H 60 4.028 4.028 4.269 -0.241 18733 3549 1 10 . 1 1 60 60 ALA CA C 60 54.245 54.245 53.655 0.590 18733 3550 1 10 . 1 1 60 60 ALA CB C 60 18.161 18.161 18.241 -0.080 18733 3551 1 10 . 1 1 61 61 LYS N N 61 115.215 115.215 116.711 -1.496 18733 3552 1 10 . 1 1 61 61 LYS HA H 61 4.517 4.517 4.665 -0.148 18733 3553 1 10 . 1 1 61 61 LYS CA C 61 54.188 54.188 54.985 -0.797 18733 3554 1 10 . 1 1 61 61 LYS CB C 61 33.239 33.239 32.408 0.831 18733 3555 1 10 . 1 1 62 62 LYS N N 62 122.199 122.199 119.253 2.946 18733 3556 1 10 . 1 1 62 62 LYS HA H 62 3.582 3.582 3.976 -0.394 18733 3557 1 10 . 1 1 62 62 LYS CA C 62 61.271 61.271 59.779 1.492 18733 3558 1 10 . 1 1 62 62 LYS CB C 62 33.052 33.052 31.633 1.419 18733 3559 1 10 . 1 1 63 63 GLN N N 63 117.101 117.101 116.410 0.691 18733 3560 1 10 . 1 1 63 63 GLN HA H 63 3.767 3.767 4.234 -0.467 18733 3561 1 10 . 1 1 63 63 GLN CA C 63 58.948 58.948 57.308 1.640 18733 3562 1 10 . 1 1 63 63 GLN CB C 63 27.823 27.823 28.186 -0.363 18733 3563 1 10 . 1 1 64 64 GLU N N 64 119.459 119.459 116.533 2.926 18733 3564 1 10 . 1 1 64 64 GLU HA H 64 4.035 4.035 4.333 -0.298 18733 3565 1 10 . 1 1 64 64 GLU CA C 64 59.672 59.672 57.053 2.619 18733 3566 1 10 . 1 1 64 64 GLU CB C 64 29.755 29.755 30.296 -0.541 18733 3567 1 10 . 1 1 65 65 MET N N 65 118.493 118.493 114.244 4.249 18733 3568 1 10 . 1 1 65 65 MET HA H 65 4.077 4.077 4.454 -0.377 18733 3569 1 10 . 1 1 65 65 MET CA C 65 59.488 59.488 56.772 2.716 18733 3570 1 10 . 1 1 65 65 MET CB C 65 34.335 34.335 34.247 0.088 18733 3571 1 10 . 1 1 66 66 MET N N 66 117.848 117.848 118.161 -0.313 18733 3572 1 10 . 1 1 66 66 MET HA H 66 4.127 4.127 4.481 -0.354 18733 3573 1 10 . 1 1 66 66 MET CA C 66 59.790 59.790 57.417 2.373 18733 3574 1 10 . 1 1 66 66 MET CB C 66 31.196 31.196 33.006 -1.810 18733 3575 1 10 . 1 1 67 67 ASP N N 67 118.987 118.987 120.933 -1.946 18733 3576 1 10 . 1 1 67 67 ASP HA H 67 4.283 4.283 4.464 -0.181 18733 3577 1 10 . 1 1 67 67 ASP CA C 67 57.892 57.892 56.865 1.027 18733 3578 1 10 . 1 1 67 67 ASP CB C 67 39.885 39.885 39.671 0.214 18733 3579 1 10 . 1 1 68 68 TYR N N 68 119.790 119.790 117.795 1.995 18733 3580 1 10 . 1 1 68 68 TYR HA H 68 4.118 4.118 4.717 -0.599 18733 3581 1 10 . 1 1 68 68 TYR CA C 68 61.588 61.588 59.922 1.667 18733 3582 1 10 . 1 1 68 68 TYR CB C 68 37.806 37.806 38.349 -0.543 18733 3583 1 10 . 1 1 69 69 TYR N N 69 118.552 118.552 116.482 2.070 18733 3584 1 10 . 1 1 69 69 TYR HA H 69 4.057 4.057 4.316 -0.259 18733 3585 1 10 . 1 1 69 69 TYR CA C 69 62.536 62.536 59.305 3.231 18733 3586 1 10 . 1 1 69 69 TYR CB C 69 37.582 37.582 37.917 -0.335 18733 3587 1 10 . 1 1 70 70 MET N N 70 117.939 117.939 116.475 1.464 18733 3588 1 10 . 1 1 70 70 MET HA H 70 4.489 4.489 4.405 0.084 18733 3589 1 10 . 1 1 70 70 MET CA C 70 58.947 58.947 57.956 0.991 18733 3590 1 10 . 1 1 70 70 MET CB C 70 31.380 31.380 33.538 -2.158 18733 3591 1 10 . 1 1 71 71 ASP N N 71 120.118 120.118 118.552 1.566 18733 3592 1 10 . 1 1 71 71 ASP HA H 71 4.390 4.390 4.821 -0.431 18733 3593 1 10 . 1 1 71 71 ASP CA C 71 57.730 57.730 54.088 3.642 18733 3594 1 10 . 1 1 71 71 ASP CB C 71 40.050 40.050 40.563 -0.513 18733 3595 1 10 . 1 1 72 72 ARG N N 72 118.091 118.091 122.327 -4.236 18733 3596 1 10 . 1 1 72 72 ARG HA H 72 4.107 4.107 4.434 -0.327 18733 3597 1 10 . 1 1 72 72 ARG CA C 72 58.260 58.260 57.171 1.089 18733 3598 1 10 . 1 1 72 72 ARG CB C 72 31.091 31.091 32.987 -1.896 18733 3599 1 10 . 1 1 73 73 TYR N N 73 121.878 121.878 119.392 2.486 18733 3600 1 10 . 1 1 73 73 TYR HA H 73 4.178 4.178 4.667 -0.489 18733 3601 1 10 . 1 1 73 73 TYR CA C 73 61.440 61.440 55.815 5.625 18733 3602 1 10 . 1 1 73 73 TYR CB C 73 38.677 38.677 37.299 1.378 18733 3603 1 10 . 1 1 74 74 LYS N N 74 119.791 119.791 122.316 -2.525 18733 3604 1 10 . 1 1 74 74 LYS HA H 74 3.564 3.564 3.716 -0.152 18733 3605 1 10 . 1 1 74 74 LYS CA C 74 60.621 60.621 59.928 0.693 18733 3606 1 10 . 1 1 74 74 LYS CB C 74 32.225 32.225 31.953 0.272 18733 3607 1 10 . 1 1 75 75 GLU N N 75 116.140 116.140 117.729 -1.589 18733 3608 1 10 . 1 1 75 75 GLU HA H 75 4.004 4.004 4.203 -0.199 18733 3609 1 10 . 1 1 75 75 GLU CA C 75 59.293 59.293 58.763 0.530 18733 3610 1 10 . 1 1 75 75 GLU CB C 75 29.627 29.627 28.721 0.906 18733 3611 1 10 . 1 1 76 76 MET N N 76 119.200 119.200 118.714 0.486 18733 3612 1 10 . 1 1 76 76 MET HA H 76 4.250 4.250 4.199 0.051 18733 3613 1 10 . 1 1 76 76 MET CA C 76 60.058 60.058 58.486 1.572 18733 3614 1 10 . 1 1 76 76 MET CB C 76 32.751 32.751 32.656 0.095 18733 3615 1 10 . 1 1 77 77 LEU N N 77 125.191 125.191 121.020 4.171 18733 3616 1 10 . 1 1 77 77 LEU HA H 77 3.703 3.703 3.856 -0.153 18733 3617 1 10 . 1 1 77 77 LEU CA C 77 58.589 58.589 57.599 0.990 18733 3618 1 10 . 1 1 77 77 LEU CB C 77 41.650 41.650 41.681 -0.031 18733 3619 1 10 . 1 1 78 78 ASP N N 78 119.843 119.843 119.373 0.470 18733 3620 1 10 . 1 1 78 78 ASP HA H 78 4.177 4.177 4.188 -0.011 18733 3621 1 10 . 1 1 78 78 ASP CA C 78 58.584 58.584 58.075 0.509 18733 3622 1 10 . 1 1 78 78 ASP CB C 78 42.352 42.352 40.645 1.707 18733 3623 1 10 . 1 1 79 79 ALA N N 79 117.168 117.168 120.439 -3.271 18733 3624 1 10 . 1 1 79 79 ALA HA H 79 4.077 4.077 4.039 0.038 18733 3625 1 10 . 1 1 79 79 ALA CA C 79 55.317 55.317 54.979 0.338 18733 3626 1 10 . 1 1 79 79 ALA CB C 79 18.335 18.335 18.483 -0.148 18733 3627 1 10 . 1 1 80 80 ASN N N 80 115.882 115.882 116.627 -0.745 18733 3628 1 10 . 1 1 80 80 ASN HA H 80 4.416 4.416 4.485 -0.069 18733 3629 1 10 . 1 1 80 80 ASN CA C 80 57.791 57.791 55.495 2.296 18733 3630 1 10 . 1 1 80 80 ASN CB C 80 40.251 40.251 38.639 1.612 18733 3631 1 10 . 1 1 81 81 MET N N 81 120.945 120.945 120.612 0.333 18733 3632 1 10 . 1 1 81 81 MET HA H 81 4.129 4.129 4.262 -0.133 18733 3633 1 10 . 1 1 81 81 MET CA C 81 58.954 58.954 58.163 0.791 18733 3634 1 10 . 1 1 81 81 MET CB C 81 31.937 31.937 31.761 0.176 18733 3635 1 10 . 1 1 82 82 GLU N N 82 116.578 116.578 118.086 -1.508 18733 3636 1 10 . 1 1 82 82 GLU HA H 82 3.979 3.979 3.980 -0.001 18733 3637 1 10 . 1 1 82 82 GLU CA C 82 59.214 59.214 59.551 -0.337 18733 3638 1 10 . 1 1 82 82 GLU CB C 82 29.207 29.207 28.720 0.487 18733 3639 1 10 . 1 1 83 83 ASP N N 83 119.199 119.199 119.875 -0.676 18733 3640 1 10 . 1 1 83 83 ASP HA H 83 4.399 4.399 4.281 0.118 18733 3641 1 10 . 1 1 83 83 ASP CA C 83 57.554 57.554 57.239 0.315 18733 3642 1 10 . 1 1 83 83 ASP CB C 83 42.088 42.088 40.574 1.514 18733 3643 1 10 . 1 1 84 84 TYR N N 84 117.904 117.904 117.758 0.146 18733 3644 1 10 . 1 1 84 84 TYR HA H 84 3.931 3.931 4.545 -0.614 18733 3645 1 10 . 1 1 84 84 TYR CA C 84 63.663 63.663 60.065 3.598 18733 3646 1 10 . 1 1 84 84 TYR CB C 84 39.134 39.134 38.481 0.653 18733 3647 1 10 . 1 1 85 85 ILE N N 85 116.362 116.362 119.496 -3.134 18733 3648 1 10 . 1 1 85 85 ILE HA H 85 3.752 3.752 3.730 0.022 18733 3649 1 10 . 1 1 85 85 ILE CA C 85 66.287 66.287 64.918 1.369 18733 3650 1 10 . 1 1 85 85 ILE CB C 85 38.815 38.815 38.080 0.735 18733 3651 1 10 . 1 1 86 86 GLU N N 86 117.696 117.696 119.281 -1.585 18733 3652 1 10 . 1 1 86 86 GLU HA H 86 3.896 3.896 4.128 -0.232 18733 3653 1 10 . 1 1 86 86 GLU CA C 86 59.290 59.290 59.124 0.166 18733 3654 1 10 . 1 1 86 86 GLU CB C 86 29.660 29.660 29.142 0.518 18733 3655 1 10 . 1 1 87 87 ASN N N 87 113.943 113.943 117.042 -3.099 18733 3656 1 10 . 1 1 87 87 ASN HA H 87 4.933 4.933 4.933 -0.000 18733 3657 1 10 . 1 1 87 87 ASN CA C 87 52.462 52.462 53.111 -0.649 18733 3658 1 10 . 1 1 87 87 ASN CB C 87 38.847 38.847 39.331 -0.484 18733 3659 1 10 . 1 1 88 88 PHE N N 88 123.733 123.733 122.288 1.445 18733 3660 1 10 . 1 1 88 88 PHE HA H 88 4.141 4.141 4.307 -0.166 18733 3661 1 10 . 1 1 88 88 PHE CA C 88 63.888 63.888 62.877 1.011 18733 3662 1 10 . 1 1 88 88 PHE CB C 88 41.768 41.768 39.214 2.554 18733 3663 1 10 . 1 1 89 89 ASP N N 89 117.257 117.257 117.263 -0.006 18733 3664 1 10 . 1 1 89 89 ASP HA H 89 4.386 4.386 4.028 0.358 18733 3665 1 10 . 1 1 89 89 ASP CA C 89 57.468 57.468 57.292 0.176 18733 3666 1 10 . 1 1 89 89 ASP CB C 89 39.886 39.886 40.523 -0.637 18733 3667 1 10 . 1 1 90 90 HIS N N 90 121.385 121.385 119.460 1.925 18733 3668 1 10 . 1 1 90 90 HIS HA H 90 4.294 4.294 4.091 0.203 18733 3669 1 10 . 1 1 90 90 HIS CA C 90 59.081 59.081 59.577 -0.496 18733 3670 1 10 . 1 1 90 90 HIS CB C 90 29.949 29.949 29.810 0.139 18733 3671 1 10 . 1 1 91 91 TYR N N 91 118.440 118.440 117.862 0.578 18733 3672 1 10 . 1 1 91 91 TYR HA H 91 4.192 4.192 4.515 -0.323 18733 3673 1 10 . 1 1 91 91 TYR CA C 91 59.618 59.618 60.827 -1.209 18733 3674 1 10 . 1 1 91 91 TYR CB C 91 36.860 36.860 38.171 -1.311 18733 3675 1 10 . 1 1 92 92 ARG N N 92 119.028 119.028 119.515 -0.487 18733 3676 1 10 . 1 1 92 92 ARG HA H 92 4.023 4.023 4.168 -0.145 18733 3677 1 10 . 1 1 92 92 ARG CA C 92 57.308 57.308 57.741 -0.433 18733 3678 1 10 . 1 1 92 92 ARG CB C 92 29.129 29.129 29.514 -0.385 18733 3679 1 10 . 1 1 93 93 ALA N N 93 120.513 120.513 117.850 2.663 18733 3680 1 10 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.241 -0.030 18733 3681 1 10 . 1 1 93 93 ALA CA C 93 53.603 53.603 53.639 -0.036 18733 3682 1 10 . 1 1 93 93 ALA CB C 93 18.864 18.864 19.366 -0.502 18733 3683 1 10 . 1 1 94 94 THR N N 94 108.668 108.668 110.431 -1.763 18733 3684 1 10 . 1 1 94 94 THR HA H 94 4.249 4.249 4.157 0.092 18733 3685 1 10 . 1 1 94 94 THR CA C 94 62.170 62.170 62.923 -0.753 18733 3686 1 10 . 1 1 94 94 THR CB C 94 70.164 70.164 69.055 1.109 18733 3687 1 10 . 1 1 95 95 GLN N N 95 122.873 122.873 121.629 1.244 18733 3688 1 10 . 1 1 95 95 GLN HA H 95 4.288 4.288 4.485 -0.197 18733 3689 1 10 . 1 1 95 95 GLN CA C 95 56.073 56.073 55.265 0.808 18733 3690 1 10 . 1 1 95 95 GLN CB C 95 28.903 28.903 29.984 -1.081 18733 3691 1 11 . 1 1 2 2 ASN HA H 2 4.590 4.590 4.707 -0.117 18733 3692 1 11 . 1 1 2 2 ASN CA C 2 53.554 53.554 54.085 -0.531 18733 3693 1 11 . 1 1 2 2 ASN CB C 2 38.650 38.650 38.891 -0.241 18733 3694 1 11 . 1 1 3 3 ASN HA H 3 4.526 4.526 4.980 -0.454 18733 3695 1 11 . 1 1 3 3 ASN CA C 3 53.720 53.720 52.926 0.794 18733 3696 1 11 . 1 1 3 3 ASN CB C 3 38.473 38.473 40.075 -1.602 18733 3697 1 11 . 1 1 4 4 GLU N N 4 121.638 121.638 122.971 -1.333 18733 3698 1 11 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.316 -0.230 18733 3699 1 11 . 1 1 4 4 GLU CA C 4 57.656 57.656 58.163 -0.507 18733 3700 1 11 . 1 1 4 4 GLU CB C 4 29.649 29.649 30.372 -0.723 18733 3701 1 11 . 1 1 5 5 ASN N N 5 118.543 118.543 116.877 1.666 18733 3702 1 11 . 1 1 5 5 ASN HA H 5 4.531 4.531 4.662 -0.131 18733 3703 1 11 . 1 1 5 5 ASN CA C 5 55.114 55.114 53.406 1.708 18733 3704 1 11 . 1 1 5 5 ASN CB C 5 38.417 38.417 38.935 -0.518 18733 3705 1 11 . 1 1 6 6 ALA N N 6 123.531 123.531 123.141 0.390 18733 3706 1 11 . 1 1 6 6 ALA HA H 6 4.057 4.057 3.992 0.065 18733 3707 1 11 . 1 1 6 6 ALA CA C 6 55.266 55.266 50.630 4.636 18733 3708 1 11 . 1 1 6 6 ALA CB C 6 18.099 18.099 19.072 -0.973 18733 3709 1 11 . 1 1 7 7 PHE N N 7 119.588 119.588 117.588 2.000 18733 3710 1 11 . 1 1 7 7 PHE HA H 7 3.777 3.777 4.710 -0.933 18733 3711 1 11 . 1 1 7 7 PHE CA C 7 61.179 61.179 54.454 6.725 18733 3712 1 11 . 1 1 7 7 PHE CB C 7 38.947 38.947 35.828 3.119 18733 3713 1 11 . 1 1 8 8 TYR N N 8 116.300 116.300 123.120 -6.820 18733 3714 1 11 . 1 1 8 8 TYR HA H 8 4.007 4.007 4.112 -0.105 18733 3715 1 11 . 1 1 8 8 TYR CA C 8 61.117 61.117 62.839 -1.722 18733 3716 1 11 . 1 1 8 8 TYR CB C 8 37.370 37.370 36.968 0.402 18733 3717 1 11 . 1 1 9 9 ALA N N 9 124.516 124.516 118.673 5.843 18733 3718 1 11 . 1 1 9 9 ALA HA H 9 4.074 4.074 4.095 -0.021 18733 3719 1 11 . 1 1 9 9 ALA CA C 9 55.415 55.415 54.395 1.020 18733 3720 1 11 . 1 1 9 9 ALA CB C 9 17.797 17.797 18.437 -0.640 18733 3721 1 11 . 1 1 10 10 ARG N N 10 118.255 118.255 118.536 -0.281 18733 3722 1 11 . 1 1 10 10 ARG HA H 10 3.857 3.857 4.145 -0.288 18733 3723 1 11 . 1 1 10 10 ARG CA C 10 60.070 60.070 58.650 1.420 18733 3724 1 11 . 1 1 10 10 ARG CB C 10 31.179 31.179 30.605 0.574 18733 3725 1 11 . 1 1 11 11 ALA N N 11 119.258 119.258 121.739 -2.481 18733 3726 1 11 . 1 1 11 11 ALA HA H 11 4.079 4.079 4.046 0.033 18733 3727 1 11 . 1 1 11 11 ALA CA C 11 55.152 55.152 54.991 0.161 18733 3728 1 11 . 1 1 11 11 ALA CB C 11 19.072 19.072 17.899 1.173 18733 3729 1 11 . 1 1 12 12 THR N N 12 114.669 114.669 113.250 1.419 18733 3730 1 11 . 1 1 12 12 THR HA H 12 3.761 3.761 4.110 -0.349 18733 3731 1 11 . 1 1 12 12 THR CA C 12 67.028 67.028 65.907 1.121 18733 3732 1 11 . 1 1 12 12 THR CB C 12 68.661 68.661 68.632 0.029 18733 3733 1 11 . 1 1 13 13 GLU N N 13 120.838 120.838 121.257 -0.419 18733 3734 1 11 . 1 1 13 13 GLU HA H 13 3.782 3.782 4.161 -0.379 18733 3735 1 11 . 1 1 13 13 GLU CA C 13 59.781 59.781 59.171 0.610 18733 3736 1 11 . 1 1 13 13 GLU CB C 13 29.713 29.713 29.508 0.205 18733 3737 1 11 . 1 1 14 14 LEU N N 14 119.831 119.831 120.535 -0.704 18733 3738 1 11 . 1 1 14 14 LEU HA H 14 3.616 3.616 4.178 -0.562 18733 3739 1 11 . 1 1 14 14 LEU CA C 14 58.363 58.363 57.917 0.446 18733 3740 1 11 . 1 1 14 14 LEU CB C 14 42.109 42.109 41.282 0.827 18733 3741 1 11 . 1 1 15 15 ILE N N 15 119.150 119.150 118.292 0.858 18733 3742 1 11 . 1 1 15 15 ILE HA H 15 3.376 3.376 3.417 -0.041 18733 3743 1 11 . 1 1 15 15 ILE CA C 15 66.274 66.274 65.214 1.060 18733 3744 1 11 . 1 1 15 15 ILE CB C 15 38.343 38.343 37.485 0.858 18733 3745 1 11 . 1 1 16 16 LYS N N 16 118.734 118.734 119.790 -1.056 18733 3746 1 11 . 1 1 16 16 LYS HA H 16 3.808 3.808 3.995 -0.187 18733 3747 1 11 . 1 1 16 16 LYS CA C 16 59.950 59.950 59.109 0.841 18733 3748 1 11 . 1 1 16 16 LYS CB C 16 32.109 32.109 32.237 -0.128 18733 3749 1 11 . 1 1 17 17 LEU N N 17 121.376 121.376 119.992 1.384 18733 3750 1 11 . 1 1 17 17 LEU HA H 17 4.017 4.017 4.155 -0.138 18733 3751 1 11 . 1 1 17 17 LEU CA C 17 57.733 57.733 58.052 -0.319 18733 3752 1 11 . 1 1 17 17 LEU CB C 17 40.385 40.385 41.051 -0.666 18733 3753 1 11 . 1 1 18 18 ALA N N 18 123.298 123.298 120.221 3.077 18733 3754 1 11 . 1 1 18 18 ALA HA H 18 3.547 3.547 4.077 -0.530 18733 3755 1 11 . 1 1 18 18 ALA CA C 18 55.031 55.031 54.728 0.303 18733 3756 1 11 . 1 1 18 18 ALA CB C 18 17.716 17.716 18.472 -0.756 18733 3757 1 11 . 1 1 19 19 ASN N N 19 114.581 114.581 116.362 -1.781 18733 3758 1 11 . 1 1 19 19 ASN HA H 19 4.504 4.504 4.396 0.108 18733 3759 1 11 . 1 1 19 19 ASN CA C 19 55.633 55.633 55.700 -0.067 18733 3760 1 11 . 1 1 19 19 ASN CB C 19 37.683 37.683 38.496 -0.813 18733 3761 1 11 . 1 1 20 20 GLN N N 20 122.054 122.054 116.212 5.842 18733 3762 1 11 . 1 1 20 20 GLN HA H 20 3.959 3.959 4.487 -0.528 18733 3763 1 11 . 1 1 20 20 GLN CA C 20 58.913 58.913 57.551 1.362 18733 3764 1 11 . 1 1 20 20 GLN CB C 20 28.293 28.293 28.553 -0.260 18733 3765 1 11 . 1 1 21 21 GLN N N 21 120.962 120.962 117.143 3.819 18733 3766 1 11 . 1 1 21 21 GLN HA H 21 3.863 3.863 4.300 -0.437 18733 3767 1 11 . 1 1 21 21 GLN CA C 21 58.371 58.371 57.928 0.442 18733 3768 1 11 . 1 1 21 21 GLN CB C 21 27.603 27.603 29.198 -1.595 18733 3769 1 11 . 1 1 22 22 ASN N N 22 114.486 114.486 118.090 -3.604 18733 3770 1 11 . 1 1 22 22 ASN HA H 22 4.550 4.550 4.540 0.010 18733 3771 1 11 . 1 1 22 22 ASN CA C 22 53.545 53.545 53.773 -0.228 18733 3772 1 11 . 1 1 22 22 ASN CB C 22 39.752 39.752 38.578 1.173 18733 3773 1 11 . 1 1 23 23 GLN N N 23 117.002 117.002 116.370 0.632 18733 3774 1 11 . 1 1 23 23 GLN HA H 23 4.121 4.121 4.227 -0.106 18733 3775 1 11 . 1 1 23 23 GLN CA C 23 56.336 56.336 56.367 -0.031 18733 3776 1 11 . 1 1 23 23 GLN CB C 23 28.367 28.367 28.850 -0.483 18733 3777 1 11 . 1 1 24 24 ASN N N 24 117.868 117.868 120.135 -2.267 18733 3778 1 11 . 1 1 24 24 ASN HA H 24 4.554 4.554 4.641 -0.087 18733 3779 1 11 . 1 1 24 24 ASN CA C 24 53.550 53.550 53.803 -0.253 18733 3780 1 11 . 1 1 24 24 ASN CB C 24 38.856 38.856 39.014 -0.158 18733 3781 1 11 . 1 1 25 25 THR N N 25 115.612 115.612 122.056 -6.444 18733 3782 1 11 . 1 1 25 25 THR HA H 25 4.193 4.193 4.339 -0.146 18733 3783 1 11 . 1 1 25 25 THR CA C 25 63.026 63.026 62.910 0.116 18733 3784 1 11 . 1 1 25 25 THR CB C 25 69.388 69.388 67.225 2.163 18733 3785 1 11 . 1 1 26 26 GLU N N 26 119.600 119.600 120.309 -0.709 18733 3786 1 11 . 1 1 26 26 GLU HA H 26 4.213 4.213 4.347 -0.134 18733 3787 1 11 . 1 1 26 26 GLU CA C 26 56.803 56.803 56.380 0.423 18733 3788 1 11 . 1 1 26 26 GLU CB C 26 29.566 29.566 30.407 -0.841 18733 3789 1 11 . 1 1 27 27 ILE N N 27 118.383 118.383 123.116 -4.733 18733 3790 1 11 . 1 1 27 27 ILE HA H 27 4.320 4.320 4.099 0.221 18733 3791 1 11 . 1 1 27 27 ILE CA C 27 59.638 59.638 61.162 -1.524 18733 3792 1 11 . 1 1 27 27 ILE CB C 27 39.531 39.531 38.704 0.827 18733 3793 1 11 . 1 1 28 28 GLN N N 28 122.321 122.321 123.907 -1.586 18733 3794 1 11 . 1 1 28 28 GLN HA H 28 4.593 4.593 4.378 0.215 18733 3795 1 11 . 1 1 28 28 GLN CA C 28 54.684 54.684 56.291 -1.607 18733 3796 1 11 . 1 1 28 28 GLN CB C 28 30.183 30.183 29.333 0.850 18733 3797 1 11 . 1 1 29 29 THR N N 29 119.517 119.517 118.175 1.342 18733 3798 1 11 . 1 1 29 29 THR HA H 29 3.916 3.916 4.062 -0.146 18733 3799 1 11 . 1 1 29 29 THR CA C 29 65.895 65.895 66.021 -0.126 18733 3800 1 11 . 1 1 29 29 THR CB C 29 68.708 68.708 68.591 0.117 18733 3801 1 11 . 1 1 30 30 GLY N N 30 109.285 109.285 108.400 0.885 18733 3802 1 11 . 1 1 30 30 GLY CA C 30 47.126 47.126 46.291 0.835 18733 3803 1 11 . 1 1 31 31 GLU N N 31 120.940 120.940 121.295 -0.355 18733 3804 1 11 . 1 1 31 31 GLU HA H 31 4.259 4.259 4.298 -0.039 18733 3805 1 11 . 1 1 31 31 GLU CA C 31 59.424 59.424 58.162 1.262 18733 3806 1 11 . 1 1 31 31 GLU CB C 31 29.410 29.410 29.439 -0.029 18733 3807 1 11 . 1 1 32 32 VAL N N 32 122.718 122.718 119.719 2.999 18733 3808 1 11 . 1 1 32 32 VAL HA H 32 3.568 3.568 3.899 -0.331 18733 3809 1 11 . 1 1 32 32 VAL CA C 32 66.122 66.122 65.385 0.737 18733 3810 1 11 . 1 1 32 32 VAL CB C 32 31.157 31.157 32.017 -0.860 18733 3811 1 11 . 1 1 33 33 SER N N 33 114.886 114.886 116.377 -1.491 18733 3812 1 11 . 1 1 33 33 SER HA H 33 4.112 4.112 4.187 -0.075 18733 3813 1 11 . 1 1 33 33 SER CA C 33 62.119 62.119 61.668 0.451 18733 3814 1 11 . 1 1 33 33 SER CB C 33 63.293 63.293 62.893 0.400 18733 3815 1 11 . 1 1 34 34 ALA N N 34 121.240 121.240 123.920 -2.680 18733 3816 1 11 . 1 1 34 34 ALA HA H 34 4.505 4.505 4.208 0.297 18733 3817 1 11 . 1 1 34 34 ALA CA C 34 55.790 55.790 55.197 0.593 18733 3818 1 11 . 1 1 34 34 ALA CB C 34 18.845 18.845 18.163 0.682 18733 3819 1 11 . 1 1 35 35 SER N N 35 111.131 111.131 115.754 -4.623 18733 3820 1 11 . 1 1 35 35 SER HA H 35 3.420 3.420 4.319 -0.899 18733 3821 1 11 . 1 1 35 35 SER CA C 35 61.316 61.316 62.424 -1.108 18733 3822 1 11 . 1 1 35 35 SER CB C 35 62.547 62.547 63.106 -0.559 18733 3823 1 11 . 1 1 36 36 PHE N N 36 127.676 127.676 123.264 4.412 18733 3824 1 11 . 1 1 36 36 PHE HA H 36 4.490 4.490 4.286 0.204 18733 3825 1 11 . 1 1 36 36 PHE CA C 36 57.592 57.592 61.438 -3.845 18733 3826 1 11 . 1 1 36 36 PHE CB C 36 38.111 38.111 39.374 -1.263 18733 3827 1 11 . 1 1 37 37 MET N N 37 119.851 119.851 120.384 -0.533 18733 3828 1 11 . 1 1 37 37 MET HA H 37 3.859 3.859 4.155 -0.296 18733 3829 1 11 . 1 1 37 37 MET CA C 37 59.444 59.444 58.807 0.637 18733 3830 1 11 . 1 1 37 37 MET CB C 37 33.517 33.517 32.328 1.189 18733 3831 1 11 . 1 1 38 38 TRP N N 38 121.153 121.153 120.628 0.525 18733 3832 1 11 . 1 1 38 38 TRP HA H 38 3.981 3.981 4.216 -0.235 18733 3833 1 11 . 1 1 38 38 TRP CA C 38 62.129 62.129 60.608 1.521 18733 3834 1 11 . 1 1 38 38 TRP CB C 38 29.930 29.930 29.589 0.341 18733 3835 1 11 . 1 1 39 39 ALA N N 39 119.518 119.518 122.328 -2.810 18733 3836 1 11 . 1 1 39 39 ALA HA H 39 3.880 3.880 3.892 -0.012 18733 3837 1 11 . 1 1 39 39 ALA CA C 39 55.231 55.231 54.888 0.343 18733 3838 1 11 . 1 1 39 39 ALA CB C 39 20.477 20.477 17.857 2.620 18733 3839 1 11 . 1 1 40 40 LEU N N 40 116.794 116.794 119.597 -2.803 18733 3840 1 11 . 1 1 40 40 LEU HA H 40 2.741 2.741 3.873 -1.132 18733 3841 1 11 . 1 1 40 40 LEU CA C 40 56.979 56.979 57.159 -0.180 18733 3842 1 11 . 1 1 40 40 LEU CB C 40 40.563 40.563 41.326 -0.763 18733 3843 1 11 . 1 1 41 41 ALA N N 41 120.249 120.249 121.844 -1.595 18733 3844 1 11 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.829 -0.166 18733 3845 1 11 . 1 1 41 41 ALA CA C 41 54.943 54.943 55.169 -0.226 18733 3846 1 11 . 1 1 41 41 ALA CB C 41 17.512 17.512 17.932 -0.420 18733 3847 1 11 . 1 1 42 42 ARG N N 42 118.787 118.787 117.703 1.084 18733 3848 1 11 . 1 1 42 42 ARG HA H 42 3.315 3.315 3.884 -0.569 18733 3849 1 11 . 1 1 42 42 ARG CA C 42 60.027 60.027 58.297 1.730 18733 3850 1 11 . 1 1 42 42 ARG CB C 42 29.084 29.084 30.133 -1.049 18733 3851 1 11 . 1 1 43 43 TYR N N 43 122.429 122.429 117.770 4.659 18733 3852 1 11 . 1 1 43 43 TYR HA H 43 3.956 3.956 4.498 -0.542 18733 3853 1 11 . 1 1 43 43 TYR CA C 43 63.225 63.225 60.588 2.637 18733 3854 1 11 . 1 1 43 43 TYR CB C 43 39.819 39.819 39.302 0.517 18733 3855 1 11 . 1 1 44 44 ASN N N 44 116.736 116.736 117.383 -0.647 18733 3856 1 11 . 1 1 44 44 ASN HA H 44 4.170 4.170 4.554 -0.384 18733 3857 1 11 . 1 1 44 44 ASN CA C 44 56.267 56.267 55.167 1.100 18733 3858 1 11 . 1 1 44 44 ASN CB C 44 37.894 37.894 38.744 -0.850 18733 3859 1 11 . 1 1 45 45 ALA N N 45 124.950 124.950 122.464 2.486 18733 3860 1 11 . 1 1 45 45 ALA HA H 45 3.862 3.862 4.256 -0.394 18733 3861 1 11 . 1 1 45 45 ALA CA C 45 55.465 55.465 54.711 0.754 18733 3862 1 11 . 1 1 45 45 ALA CB C 45 18.587 18.587 18.089 0.498 18733 3863 1 11 . 1 1 46 46 TRP N N 46 119.686 119.686 120.909 -1.223 18733 3864 1 11 . 1 1 46 46 TRP HA H 46 2.849 2.849 4.310 -1.461 18733 3865 1 11 . 1 1 46 46 TRP CA C 46 60.783 60.783 58.839 1.944 18733 3866 1 11 . 1 1 46 46 TRP CB C 46 26.470 26.470 28.547 -2.077 18733 3867 1 11 . 1 1 47 47 PHE N N 47 121.090 121.090 117.025 4.065 18733 3868 1 11 . 1 1 47 47 PHE HA H 47 2.939 2.939 4.327 -1.388 18733 3869 1 11 . 1 1 47 47 PHE CA C 47 59.116 59.116 58.446 0.670 18733 3870 1 11 . 1 1 47 47 PHE CB C 47 38.212 38.212 38.731 -0.519 18733 3871 1 11 . 1 1 48 48 GLY N N 48 109.386 109.386 108.016 1.370 18733 3872 1 11 . 1 1 48 48 GLY CA C 48 47.209 47.209 46.554 0.655 18733 3873 1 11 . 1 1 49 49 SER N N 49 118.098 118.098 114.120 3.978 18733 3874 1 11 . 1 1 49 49 SER CA C 49 62.016 62.016 59.722 2.294 18733 3875 1 11 . 1 1 49 49 SER CB C 49 63.411 63.411 63.475 -0.064 18733 3876 1 11 . 1 1 50 50 THR N N 50 110.801 110.801 113.545 -2.744 18733 3877 1 11 . 1 1 50 50 THR HA H 50 3.851 3.851 4.476 -0.625 18733 3878 1 11 . 1 1 50 50 THR CA C 50 63.914 63.914 61.992 1.922 18733 3879 1 11 . 1 1 50 50 THR CB C 50 69.676 69.676 68.881 0.795 18733 3880 1 11 . 1 1 51 51 SER N N 51 115.249 115.249 116.625 -1.376 18733 3881 1 11 . 1 1 51 51 SER HA H 51 3.990 3.990 4.439 -0.449 18733 3882 1 11 . 1 1 51 51 SER CA C 51 59.360 59.360 59.930 -0.570 18733 3883 1 11 . 1 1 51 51 SER CB C 51 63.142 63.142 64.170 -1.028 18733 3884 1 11 . 1 1 52 52 PHE N N 52 118.004 118.004 118.482 -0.478 18733 3885 1 11 . 1 1 52 52 PHE HA H 52 4.861 4.861 4.630 0.231 18733 3886 1 11 . 1 1 52 52 PHE CA C 52 57.045 57.045 56.923 0.121 18733 3887 1 11 . 1 1 52 52 PHE CB C 52 42.165 42.165 41.778 0.387 18733 3888 1 11 . 1 1 53 53 GLU N N 53 119.224 119.224 118.176 1.048 18733 3889 1 11 . 1 1 53 53 GLU HA H 53 4.415 4.415 4.476 -0.061 18733 3890 1 11 . 1 1 53 53 GLU CA C 53 57.653 57.653 56.933 0.720 18733 3891 1 11 . 1 1 53 53 GLU CB C 53 31.679 31.679 30.702 0.977 18733 3892 1 11 . 1 1 54 54 THR N N 54 105.230 105.230 110.457 -5.227 18733 3893 1 11 . 1 1 54 54 THR HA H 54 4.529 4.529 4.689 -0.160 18733 3894 1 11 . 1 1 54 54 THR CA C 54 58.360 58.360 59.818 -1.458 18733 3895 1 11 . 1 1 54 54 THR CB C 54 73.366 73.366 72.071 1.295 18733 3896 1 11 . 1 1 55 55 LYS N N 55 122.509 122.509 123.139 -0.630 18733 3897 1 11 . 1 1 55 55 LYS HA H 55 2.752 2.752 4.059 -1.307 18733 3898 1 11 . 1 1 55 55 LYS CA C 55 58.567 58.567 59.277 -0.710 18733 3899 1 11 . 1 1 55 55 LYS CB C 55 32.829 32.829 31.782 1.047 18733 3900 1 11 . 1 1 56 56 GLU N N 56 117.867 117.867 118.023 -0.156 18733 3901 1 11 . 1 1 56 56 GLU HA H 56 3.785 3.785 4.084 -0.299 18733 3902 1 11 . 1 1 56 56 GLU CA C 56 60.334 60.334 58.974 1.360 18733 3903 1 11 . 1 1 56 56 GLU CB C 56 28.185 28.185 29.151 -0.967 18733 3904 1 11 . 1 1 57 57 GLN N N 57 119.487 119.487 117.358 2.129 18733 3905 1 11 . 1 1 57 57 GLN HA H 57 3.788 3.788 3.951 -0.163 18733 3906 1 11 . 1 1 57 57 GLN CA C 57 58.056 58.056 57.040 1.016 18733 3907 1 11 . 1 1 57 57 GLN CB C 57 28.577 28.577 28.712 -0.135 18733 3908 1 11 . 1 1 58 58 MET N N 58 118.284 118.284 120.357 -2.073 18733 3909 1 11 . 1 1 58 58 MET HA H 58 2.029 2.029 4.201 -2.172 18733 3910 1 11 . 1 1 58 58 MET CA C 58 58.862 58.862 58.636 0.225 18733 3911 1 11 . 1 1 58 58 MET CB C 58 30.814 30.814 33.059 -2.245 18733 3912 1 11 . 1 1 59 59 GLN N N 59 116.663 116.663 120.091 -3.428 18733 3913 1 11 . 1 1 59 59 GLN HA H 59 3.578 3.578 4.057 -0.479 18733 3914 1 11 . 1 1 59 59 GLN CA C 59 59.361 59.361 59.053 0.308 18733 3915 1 11 . 1 1 59 59 GLN CB C 59 28.975 28.975 28.662 0.313 18733 3916 1 11 . 1 1 60 60 ALA N N 60 119.084 119.084 120.364 -1.280 18733 3917 1 11 . 1 1 60 60 ALA HA H 60 4.028 4.028 4.213 -0.185 18733 3918 1 11 . 1 1 60 60 ALA CA C 60 54.245 54.245 53.880 0.365 18733 3919 1 11 . 1 1 60 60 ALA CB C 60 18.161 18.161 18.249 -0.088 18733 3920 1 11 . 1 1 61 61 LYS N N 61 115.215 115.215 116.930 -1.715 18733 3921 1 11 . 1 1 61 61 LYS HA H 61 4.517 4.517 4.593 -0.076 18733 3922 1 11 . 1 1 61 61 LYS CA C 61 54.188 54.188 55.462 -1.274 18733 3923 1 11 . 1 1 61 61 LYS CB C 61 33.239 33.239 32.744 0.495 18733 3924 1 11 . 1 1 62 62 LYS N N 62 122.199 122.199 120.767 1.432 18733 3925 1 11 . 1 1 62 62 LYS HA H 62 3.582 3.582 3.957 -0.375 18733 3926 1 11 . 1 1 62 62 LYS CA C 62 61.271 61.271 59.887 1.384 18733 3927 1 11 . 1 1 62 62 LYS CB C 62 33.052 33.052 31.445 1.607 18733 3928 1 11 . 1 1 63 63 GLN N N 63 117.101 117.101 118.216 -1.115 18733 3929 1 11 . 1 1 63 63 GLN HA H 63 3.767 3.767 4.134 -0.367 18733 3930 1 11 . 1 1 63 63 GLN CA C 63 58.948 58.948 57.758 1.190 18733 3931 1 11 . 1 1 63 63 GLN CB C 63 27.823 27.823 28.002 -0.179 18733 3932 1 11 . 1 1 64 64 GLU N N 64 119.459 119.459 116.942 2.517 18733 3933 1 11 . 1 1 64 64 GLU HA H 64 4.035 4.035 4.139 -0.104 18733 3934 1 11 . 1 1 64 64 GLU CA C 64 59.672 59.672 58.350 1.322 18733 3935 1 11 . 1 1 64 64 GLU CB C 64 29.755 29.755 29.801 -0.046 18733 3936 1 11 . 1 1 65 65 MET N N 65 118.493 118.493 116.391 2.102 18733 3937 1 11 . 1 1 65 65 MET HA H 65 4.077 4.077 4.337 -0.260 18733 3938 1 11 . 1 1 65 65 MET CA C 65 59.488 59.488 58.147 1.341 18733 3939 1 11 . 1 1 65 65 MET CB C 65 34.335 34.335 32.991 1.344 18733 3940 1 11 . 1 1 66 66 MET N N 66 117.848 117.848 117.538 0.310 18733 3941 1 11 . 1 1 66 66 MET HA H 66 4.127 4.127 4.038 0.089 18733 3942 1 11 . 1 1 66 66 MET CA C 66 59.790 59.790 58.062 1.728 18733 3943 1 11 . 1 1 66 66 MET CB C 66 31.196 31.196 32.226 -1.030 18733 3944 1 11 . 1 1 67 67 ASP N N 67 118.987 118.987 119.404 -0.417 18733 3945 1 11 . 1 1 67 67 ASP HA H 67 4.283 4.283 4.364 -0.081 18733 3946 1 11 . 1 1 67 67 ASP CA C 67 57.892 57.892 57.142 0.750 18733 3947 1 11 . 1 1 67 67 ASP CB C 67 39.885 39.885 40.978 -1.093 18733 3948 1 11 . 1 1 68 68 TYR N N 68 119.790 119.790 113.458 6.332 18733 3949 1 11 . 1 1 68 68 TYR HA H 68 4.118 4.118 4.667 -0.549 18733 3950 1 11 . 1 1 68 68 TYR CA C 68 61.588 61.588 56.809 4.779 18733 3951 1 11 . 1 1 68 68 TYR CB C 68 37.806 37.806 38.296 -0.490 18733 3952 1 11 . 1 1 69 69 TYR N N 69 118.552 118.552 119.215 -0.663 18733 3953 1 11 . 1 1 69 69 TYR HA H 69 4.057 4.057 3.872 0.185 18733 3954 1 11 . 1 1 69 69 TYR CA C 69 62.536 62.536 59.021 3.515 18733 3955 1 11 . 1 1 69 69 TYR CB C 69 37.582 37.582 38.195 -0.613 18733 3956 1 11 . 1 1 70 70 MET N N 70 117.939 117.939 117.248 0.691 18733 3957 1 11 . 1 1 70 70 MET HA H 70 4.489 4.489 4.115 0.374 18733 3958 1 11 . 1 1 70 70 MET CA C 70 58.947 58.947 58.712 0.234 18733 3959 1 11 . 1 1 70 70 MET CB C 70 31.380 31.380 32.311 -0.931 18733 3960 1 11 . 1 1 71 71 ASP N N 71 120.118 120.118 115.689 4.429 18733 3961 1 11 . 1 1 71 71 ASP HA H 71 4.390 4.390 4.781 -0.391 18733 3962 1 11 . 1 1 71 71 ASP CA C 71 57.730 57.730 53.861 3.869 18733 3963 1 11 . 1 1 71 71 ASP CB C 71 40.050 40.050 40.327 -0.277 18733 3964 1 11 . 1 1 72 72 ARG N N 72 118.091 118.091 118.115 -0.024 18733 3965 1 11 . 1 1 72 72 ARG HA H 72 4.107 4.107 4.498 -0.391 18733 3966 1 11 . 1 1 72 72 ARG CA C 72 58.260 58.260 57.674 0.586 18733 3967 1 11 . 1 1 72 72 ARG CB C 72 31.091 31.091 31.691 -0.600 18733 3968 1 11 . 1 1 73 73 TYR N N 73 121.878 121.878 117.015 4.863 18733 3969 1 11 . 1 1 73 73 TYR HA H 73 4.178 4.178 4.765 -0.587 18733 3970 1 11 . 1 1 73 73 TYR CA C 73 61.440 61.440 54.782 6.658 18733 3971 1 11 . 1 1 73 73 TYR CB C 73 38.677 38.677 37.386 1.291 18733 3972 1 11 . 1 1 74 74 LYS N N 74 119.791 119.791 122.260 -2.469 18733 3973 1 11 . 1 1 74 74 LYS HA H 74 3.564 3.564 3.643 -0.079 18733 3974 1 11 . 1 1 74 74 LYS CA C 74 60.621 60.621 60.186 0.435 18733 3975 1 11 . 1 1 74 74 LYS CB C 74 32.225 32.225 31.893 0.332 18733 3976 1 11 . 1 1 75 75 GLU N N 75 116.140 116.140 117.422 -1.282 18733 3977 1 11 . 1 1 75 75 GLU HA H 75 4.004 4.004 4.080 -0.076 18733 3978 1 11 . 1 1 75 75 GLU CA C 75 59.293 59.293 58.836 0.457 18733 3979 1 11 . 1 1 75 75 GLU CB C 75 29.627 29.627 28.721 0.906 18733 3980 1 11 . 1 1 76 76 MET N N 76 119.200 119.200 118.588 0.612 18733 3981 1 11 . 1 1 76 76 MET HA H 76 4.250 4.250 4.198 0.052 18733 3982 1 11 . 1 1 76 76 MET CA C 76 60.058 60.058 58.474 1.584 18733 3983 1 11 . 1 1 76 76 MET CB C 76 32.751 32.751 32.564 0.187 18733 3984 1 11 . 1 1 77 77 LEU N N 77 125.191 125.191 120.966 4.225 18733 3985 1 11 . 1 1 77 77 LEU HA H 77 3.703 3.703 3.849 -0.146 18733 3986 1 11 . 1 1 77 77 LEU CA C 77 58.589 58.589 57.604 0.985 18733 3987 1 11 . 1 1 77 77 LEU CB C 77 41.650 41.650 41.699 -0.049 18733 3988 1 11 . 1 1 78 78 ASP N N 78 119.843 119.843 118.642 1.201 18733 3989 1 11 . 1 1 78 78 ASP HA H 78 4.177 4.177 4.283 -0.106 18733 3990 1 11 . 1 1 78 78 ASP CA C 78 58.584 58.584 57.593 0.991 18733 3991 1 11 . 1 1 78 78 ASP CB C 78 42.352 42.352 40.730 1.621 18733 3992 1 11 . 1 1 79 79 ALA N N 79 117.168 117.168 120.060 -2.892 18733 3993 1 11 . 1 1 79 79 ALA HA H 79 4.077 4.077 4.207 -0.130 18733 3994 1 11 . 1 1 79 79 ALA CA C 79 55.317 55.317 53.979 1.338 18733 3995 1 11 . 1 1 79 79 ALA CB C 79 18.335 18.335 19.005 -0.670 18733 3996 1 11 . 1 1 80 80 ASN N N 80 115.882 115.882 115.310 0.572 18733 3997 1 11 . 1 1 80 80 ASN HA H 80 4.416 4.416 4.820 -0.404 18733 3998 1 11 . 1 1 80 80 ASN CA C 80 57.791 57.791 53.830 3.961 18733 3999 1 11 . 1 1 80 80 ASN CB C 80 40.251 40.251 39.531 0.720 18733 4000 1 11 . 1 1 81 81 MET N N 81 120.945 120.945 119.069 1.876 18733 4001 1 11 . 1 1 81 81 MET HA H 81 4.129 4.129 4.543 -0.414 18733 4002 1 11 . 1 1 81 81 MET CA C 81 58.954 58.954 55.801 3.153 18733 4003 1 11 . 1 1 81 81 MET CB C 81 31.937 31.937 33.648 -1.711 18733 4004 1 11 . 1 1 82 82 GLU N N 82 116.578 116.578 113.645 2.933 18733 4005 1 11 . 1 1 82 82 GLU HA H 82 3.979 3.979 3.983 -0.004 18733 4006 1 11 . 1 1 82 82 GLU CA C 82 59.214 59.214 58.282 0.932 18733 4007 1 11 . 1 1 82 82 GLU CB C 82 29.207 29.207 28.481 0.726 18733 4008 1 11 . 1 1 83 83 ASP N N 83 119.199 119.199 119.207 -0.008 18733 4009 1 11 . 1 1 83 83 ASP HA H 83 4.399 4.399 4.320 0.079 18733 4010 1 11 . 1 1 83 83 ASP CA C 83 57.554 57.554 57.304 0.249 18733 4011 1 11 . 1 1 83 83 ASP CB C 83 42.088 42.088 40.773 1.315 18733 4012 1 11 . 1 1 84 84 TYR N N 84 117.904 117.904 117.199 0.705 18733 4013 1 11 . 1 1 84 84 TYR HA H 84 3.931 3.931 4.544 -0.613 18733 4014 1 11 . 1 1 84 84 TYR CA C 84 63.663 63.663 60.449 3.214 18733 4015 1 11 . 1 1 84 84 TYR CB C 84 39.134 39.134 38.154 0.980 18733 4016 1 11 . 1 1 85 85 ILE N N 85 116.362 116.362 118.982 -2.620 18733 4017 1 11 . 1 1 85 85 ILE HA H 85 3.752 3.752 3.807 -0.055 18733 4018 1 11 . 1 1 85 85 ILE CA C 85 66.287 66.287 64.128 2.159 18733 4019 1 11 . 1 1 85 85 ILE CB C 85 38.815 38.815 37.810 1.005 18733 4020 1 11 . 1 1 86 86 GLU N N 86 117.696 117.696 118.689 -0.993 18733 4021 1 11 . 1 1 86 86 GLU HA H 86 3.896 3.896 4.126 -0.230 18733 4022 1 11 . 1 1 86 86 GLU CA C 86 59.290 59.290 59.084 0.206 18733 4023 1 11 . 1 1 86 86 GLU CB C 86 29.660 29.660 29.227 0.433 18733 4024 1 11 . 1 1 87 87 ASN N N 87 113.943 113.943 116.306 -2.363 18733 4025 1 11 . 1 1 87 87 ASN HA H 87 4.933 4.933 4.839 0.094 18733 4026 1 11 . 1 1 87 87 ASN CA C 87 52.462 52.462 53.836 -1.373 18733 4027 1 11 . 1 1 87 87 ASN CB C 87 38.847 38.847 39.702 -0.855 18733 4028 1 11 . 1 1 88 88 PHE N N 88 123.733 123.733 122.129 1.604 18733 4029 1 11 . 1 1 88 88 PHE HA H 88 4.141 4.141 4.430 -0.289 18733 4030 1 11 . 1 1 88 88 PHE CA C 88 63.888 63.888 62.574 1.314 18733 4031 1 11 . 1 1 88 88 PHE CB C 88 41.768 41.768 39.056 2.712 18733 4032 1 11 . 1 1 89 89 ASP N N 89 117.257 117.257 118.401 -1.144 18733 4033 1 11 . 1 1 89 89 ASP HA H 89 4.386 4.386 4.088 0.298 18733 4034 1 11 . 1 1 89 89 ASP CA C 89 57.468 57.468 58.437 -0.969 18733 4035 1 11 . 1 1 89 89 ASP CB C 89 39.886 39.886 40.142 -0.256 18733 4036 1 11 . 1 1 90 90 HIS N N 90 121.385 121.385 118.907 2.478 18733 4037 1 11 . 1 1 90 90 HIS HA H 90 4.294 4.294 4.210 0.084 18733 4038 1 11 . 1 1 90 90 HIS CA C 90 59.081 59.081 59.453 -0.372 18733 4039 1 11 . 1 1 90 90 HIS CB C 90 29.949 29.949 29.891 0.058 18733 4040 1 11 . 1 1 91 91 TYR N N 91 118.440 118.440 119.150 -0.710 18733 4041 1 11 . 1 1 91 91 TYR HA H 91 4.192 4.192 4.452 -0.260 18733 4042 1 11 . 1 1 91 91 TYR CA C 91 59.618 59.618 61.148 -1.530 18733 4043 1 11 . 1 1 91 91 TYR CB C 91 36.860 36.860 38.298 -1.438 18733 4044 1 11 . 1 1 92 92 ARG N N 92 119.028 119.028 117.953 1.075 18733 4045 1 11 . 1 1 92 92 ARG HA H 92 4.023 4.023 4.011 0.012 18733 4046 1 11 . 1 1 92 92 ARG CA C 92 57.308 57.308 56.456 0.852 18733 4047 1 11 . 1 1 92 92 ARG CB C 92 29.129 29.129 29.075 0.054 18733 4048 1 11 . 1 1 93 93 ALA N N 93 120.513 120.513 119.279 1.234 18733 4049 1 11 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.296 -0.085 18733 4050 1 11 . 1 1 93 93 ALA CA C 93 53.603 53.603 53.369 0.234 18733 4051 1 11 . 1 1 93 93 ALA CB C 93 18.864 18.864 19.803 -0.939 18733 4052 1 11 . 1 1 94 94 THR N N 94 108.668 108.668 110.686 -2.018 18733 4053 1 11 . 1 1 94 94 THR HA H 94 4.249 4.249 4.057 0.192 18733 4054 1 11 . 1 1 94 94 THR CA C 94 62.170 62.170 63.148 -0.978 18733 4055 1 11 . 1 1 94 94 THR CB C 94 70.164 70.164 69.100 1.064 18733 4056 1 11 . 1 1 95 95 GLN N N 95 122.873 122.873 121.166 1.707 18733 4057 1 11 . 1 1 95 95 GLN HA H 95 4.288 4.288 4.537 -0.249 18733 4058 1 11 . 1 1 95 95 GLN CA C 95 56.073 56.073 55.032 1.041 18733 4059 1 11 . 1 1 95 95 GLN CB C 95 28.903 28.903 30.175 -1.272 18733 4060 1 12 . 1 1 2 2 ASN HA H 2 4.590 4.590 4.925 -0.335 18733 4061 1 12 . 1 1 2 2 ASN CA C 2 53.554 53.554 53.224 0.330 18733 4062 1 12 . 1 1 2 2 ASN CB C 2 38.650 38.650 39.708 -1.058 18733 4063 1 12 . 1 1 3 3 ASN HA H 3 4.526 4.526 5.021 -0.495 18733 4064 1 12 . 1 1 3 3 ASN CA C 3 53.720 53.720 52.973 0.747 18733 4065 1 12 . 1 1 3 3 ASN CB C 3 38.473 38.473 41.426 -2.953 18733 4066 1 12 . 1 1 4 4 GLU N N 4 121.638 121.638 122.871 -1.233 18733 4067 1 12 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.316 -0.230 18733 4068 1 12 . 1 1 4 4 GLU CA C 4 57.656 57.656 58.344 -0.688 18733 4069 1 12 . 1 1 4 4 GLU CB C 4 29.649 29.649 29.828 -0.179 18733 4070 1 12 . 1 1 5 5 ASN N N 5 118.543 118.543 116.685 1.858 18733 4071 1 12 . 1 1 5 5 ASN HA H 5 4.531 4.531 4.696 -0.165 18733 4072 1 12 . 1 1 5 5 ASN CA C 5 55.114 55.114 53.014 2.100 18733 4073 1 12 . 1 1 5 5 ASN CB C 5 38.417 38.417 39.275 -0.858 18733 4074 1 12 . 1 1 6 6 ALA N N 6 123.531 123.531 122.766 0.765 18733 4075 1 12 . 1 1 6 6 ALA HA H 6 4.057 4.057 3.999 0.058 18733 4076 1 12 . 1 1 6 6 ALA CA C 6 55.266 55.266 50.877 4.389 18733 4077 1 12 . 1 1 6 6 ALA CB C 6 18.099 18.099 18.652 -0.553 18733 4078 1 12 . 1 1 7 7 PHE N N 7 119.588 119.588 117.928 1.660 18733 4079 1 12 . 1 1 7 7 PHE HA H 7 3.777 3.777 4.627 -0.850 18733 4080 1 12 . 1 1 7 7 PHE CA C 7 61.179 61.179 55.084 6.095 18733 4081 1 12 . 1 1 7 7 PHE CB C 7 38.947 38.947 35.782 3.165 18733 4082 1 12 . 1 1 8 8 TYR N N 8 116.300 116.300 123.229 -6.929 18733 4083 1 12 . 1 1 8 8 TYR HA H 8 4.007 4.007 4.116 -0.109 18733 4084 1 12 . 1 1 8 8 TYR CA C 8 61.117 61.117 62.794 -1.677 18733 4085 1 12 . 1 1 8 8 TYR CB C 8 37.370 37.370 37.045 0.325 18733 4086 1 12 . 1 1 9 9 ALA N N 9 124.516 124.516 117.634 6.882 18733 4087 1 12 . 1 1 9 9 ALA HA H 9 4.074 4.074 4.199 -0.125 18733 4088 1 12 . 1 1 9 9 ALA CA C 9 55.415 55.415 53.913 1.502 18733 4089 1 12 . 1 1 9 9 ALA CB C 9 17.797 17.797 18.267 -0.470 18733 4090 1 12 . 1 1 10 10 ARG N N 10 118.255 118.255 118.524 -0.269 18733 4091 1 12 . 1 1 10 10 ARG HA H 10 3.857 3.857 4.505 -0.648 18733 4092 1 12 . 1 1 10 10 ARG CA C 10 60.070 60.070 56.731 3.339 18733 4093 1 12 . 1 1 10 10 ARG CB C 10 31.179 31.179 30.751 0.428 18733 4094 1 12 . 1 1 11 11 ALA N N 11 119.258 119.258 123.112 -3.854 18733 4095 1 12 . 1 1 11 11 ALA HA H 11 4.079 4.079 4.088 -0.009 18733 4096 1 12 . 1 1 11 11 ALA CA C 11 55.152 55.152 55.184 -0.032 18733 4097 1 12 . 1 1 11 11 ALA CB C 11 19.072 19.072 18.031 1.041 18733 4098 1 12 . 1 1 12 12 THR N N 12 114.669 114.669 112.795 1.874 18733 4099 1 12 . 1 1 12 12 THR HA H 12 3.761 3.761 4.058 -0.297 18733 4100 1 12 . 1 1 12 12 THR CA C 12 67.028 67.028 65.699 1.329 18733 4101 1 12 . 1 1 12 12 THR CB C 12 68.661 68.661 68.844 -0.183 18733 4102 1 12 . 1 1 13 13 GLU N N 13 120.838 120.838 120.735 0.103 18733 4103 1 12 . 1 1 13 13 GLU HA H 13 3.782 3.782 4.251 -0.469 18733 4104 1 12 . 1 1 13 13 GLU CA C 13 59.781 59.781 58.599 1.182 18733 4105 1 12 . 1 1 13 13 GLU CB C 13 29.713 29.713 29.652 0.061 18733 4106 1 12 . 1 1 14 14 LEU N N 14 119.831 119.831 120.854 -1.023 18733 4107 1 12 . 1 1 14 14 LEU HA H 14 3.616 3.616 4.176 -0.560 18733 4108 1 12 . 1 1 14 14 LEU CA C 14 58.363 58.363 57.943 0.420 18733 4109 1 12 . 1 1 14 14 LEU CB C 14 42.109 42.109 41.417 0.692 18733 4110 1 12 . 1 1 15 15 ILE N N 15 119.150 119.150 117.384 1.766 18733 4111 1 12 . 1 1 15 15 ILE HA H 15 3.376 3.376 3.518 -0.142 18733 4112 1 12 . 1 1 15 15 ILE CA C 15 66.274 66.274 65.062 1.212 18733 4113 1 12 . 1 1 15 15 ILE CB C 15 38.343 38.343 37.311 1.032 18733 4114 1 12 . 1 1 16 16 LYS N N 16 118.734 118.734 119.490 -0.756 18733 4115 1 12 . 1 1 16 16 LYS HA H 16 3.808 3.808 4.077 -0.269 18733 4116 1 12 . 1 1 16 16 LYS CA C 16 59.950 59.950 58.509 1.441 18733 4117 1 12 . 1 1 16 16 LYS CB C 16 32.109 32.109 31.791 0.318 18733 4118 1 12 . 1 1 17 17 LEU N N 17 121.376 121.376 119.724 1.652 18733 4119 1 12 . 1 1 17 17 LEU HA H 17 4.017 4.017 4.255 -0.238 18733 4120 1 12 . 1 1 17 17 LEU CA C 17 57.733 57.733 57.426 0.307 18733 4121 1 12 . 1 1 17 17 LEU CB C 17 40.385 40.385 41.194 -0.809 18733 4122 1 12 . 1 1 18 18 ALA N N 18 123.298 123.298 122.547 0.751 18733 4123 1 12 . 1 1 18 18 ALA HA H 18 3.547 3.547 4.092 -0.545 18733 4124 1 12 . 1 1 18 18 ALA CA C 18 55.031 55.031 55.184 -0.153 18733 4125 1 12 . 1 1 18 18 ALA CB C 18 17.716 17.716 18.631 -0.915 18733 4126 1 12 . 1 1 19 19 ASN N N 19 114.581 114.581 115.653 -1.072 18733 4127 1 12 . 1 1 19 19 ASN HA H 19 4.504 4.504 4.449 0.055 18733 4128 1 12 . 1 1 19 19 ASN CA C 19 55.633 55.633 55.764 -0.131 18733 4129 1 12 . 1 1 19 19 ASN CB C 19 37.683 37.683 38.002 -0.319 18733 4130 1 12 . 1 1 20 20 GLN N N 20 122.054 122.054 117.635 4.419 18733 4131 1 12 . 1 1 20 20 GLN HA H 20 3.959 3.959 4.248 -0.289 18733 4132 1 12 . 1 1 20 20 GLN CA C 20 58.913 58.913 57.998 0.915 18733 4133 1 12 . 1 1 20 20 GLN CB C 20 28.293 28.293 28.685 -0.392 18733 4134 1 12 . 1 1 21 21 GLN N N 21 120.962 120.962 116.898 4.064 18733 4135 1 12 . 1 1 21 21 GLN HA H 21 3.863 3.863 4.298 -0.435 18733 4136 1 12 . 1 1 21 21 GLN CA C 21 58.371 58.371 57.702 0.669 18733 4137 1 12 . 1 1 21 21 GLN CB C 21 27.603 27.603 29.015 -1.412 18733 4138 1 12 . 1 1 22 22 ASN N N 22 114.486 114.486 118.416 -3.930 18733 4139 1 12 . 1 1 22 22 ASN HA H 22 4.550 4.550 4.518 0.032 18733 4140 1 12 . 1 1 22 22 ASN CA C 22 53.545 53.545 54.415 -0.870 18733 4141 1 12 . 1 1 22 22 ASN CB C 22 39.752 39.752 38.601 1.151 18733 4142 1 12 . 1 1 23 23 GLN N N 23 117.002 117.002 115.877 1.125 18733 4143 1 12 . 1 1 23 23 GLN HA H 23 4.121 4.121 4.219 -0.098 18733 4144 1 12 . 1 1 23 23 GLN CA C 23 56.336 56.336 56.321 0.015 18733 4145 1 12 . 1 1 23 23 GLN CB C 23 28.367 28.367 28.803 -0.436 18733 4146 1 12 . 1 1 24 24 ASN N N 24 117.868 117.868 119.696 -1.828 18733 4147 1 12 . 1 1 24 24 ASN HA H 24 4.554 4.554 4.611 -0.057 18733 4148 1 12 . 1 1 24 24 ASN CA C 24 53.550 53.550 53.375 0.175 18733 4149 1 12 . 1 1 24 24 ASN CB C 24 38.856 38.856 38.562 0.294 18733 4150 1 12 . 1 1 25 25 THR N N 25 115.612 115.612 121.222 -5.610 18733 4151 1 12 . 1 1 25 25 THR HA H 25 4.193 4.193 3.944 0.249 18733 4152 1 12 . 1 1 25 25 THR CA C 25 63.026 63.026 65.632 -2.607 18733 4153 1 12 . 1 1 25 25 THR CB C 25 69.388 69.388 69.084 0.304 18733 4154 1 12 . 1 1 26 26 GLU N N 26 119.600 119.600 117.609 1.991 18733 4155 1 12 . 1 1 26 26 GLU HA H 26 4.213 4.213 4.264 -0.051 18733 4156 1 12 . 1 1 26 26 GLU CA C 26 56.803 56.803 56.488 0.315 18733 4157 1 12 . 1 1 26 26 GLU CB C 26 29.566 29.566 29.477 0.089 18733 4158 1 12 . 1 1 27 27 ILE N N 27 118.383 118.383 120.701 -2.318 18733 4159 1 12 . 1 1 27 27 ILE HA H 27 4.320 4.320 4.165 0.155 18733 4160 1 12 . 1 1 27 27 ILE CA C 27 59.638 59.638 60.560 -0.922 18733 4161 1 12 . 1 1 27 27 ILE CB C 27 39.531 39.531 39.066 0.465 18733 4162 1 12 . 1 1 28 28 GLN N N 28 122.321 122.321 122.340 -0.019 18733 4163 1 12 . 1 1 28 28 GLN HA H 28 4.593 4.593 4.552 0.041 18733 4164 1 12 . 1 1 28 28 GLN CA C 28 54.684 54.684 54.827 -0.143 18733 4165 1 12 . 1 1 28 28 GLN CB C 28 30.183 30.183 29.992 0.191 18733 4166 1 12 . 1 1 29 29 THR N N 29 119.517 119.517 116.973 2.544 18733 4167 1 12 . 1 1 29 29 THR HA H 29 3.916 3.916 3.921 -0.005 18733 4168 1 12 . 1 1 29 29 THR CA C 29 65.895 65.895 66.250 -0.355 18733 4169 1 12 . 1 1 29 29 THR CB C 29 68.708 68.708 68.466 0.242 18733 4170 1 12 . 1 1 30 30 GLY N N 30 109.285 109.285 109.287 -0.002 18733 4171 1 12 . 1 1 30 30 GLY CA C 30 47.126 47.126 46.795 0.331 18733 4172 1 12 . 1 1 31 31 GLU N N 31 120.940 120.940 121.484 -0.544 18733 4173 1 12 . 1 1 31 31 GLU HA H 31 4.259 4.259 4.218 0.041 18733 4174 1 12 . 1 1 31 31 GLU CA C 31 59.424 59.424 58.049 1.375 18733 4175 1 12 . 1 1 31 31 GLU CB C 31 29.410 29.410 29.283 0.127 18733 4176 1 12 . 1 1 32 32 VAL N N 32 122.718 122.718 119.254 3.464 18733 4177 1 12 . 1 1 32 32 VAL HA H 32 3.568 3.568 3.983 -0.415 18733 4178 1 12 . 1 1 32 32 VAL CA C 32 66.122 66.122 65.432 0.690 18733 4179 1 12 . 1 1 32 32 VAL CB C 32 31.157 31.157 31.851 -0.694 18733 4180 1 12 . 1 1 33 33 SER N N 33 114.886 114.886 116.044 -1.158 18733 4181 1 12 . 1 1 33 33 SER HA H 33 4.112 4.112 4.311 -0.199 18733 4182 1 12 . 1 1 33 33 SER CA C 33 62.119 62.119 60.843 1.276 18733 4183 1 12 . 1 1 33 33 SER CB C 33 63.293 63.293 62.727 0.566 18733 4184 1 12 . 1 1 34 34 ALA N N 34 121.240 121.240 123.154 -1.914 18733 4185 1 12 . 1 1 34 34 ALA HA H 34 4.505 4.505 4.510 -0.005 18733 4186 1 12 . 1 1 34 34 ALA CA C 34 55.790 55.790 54.300 1.490 18733 4187 1 12 . 1 1 34 34 ALA CB C 34 18.845 18.845 19.479 -0.634 18733 4188 1 12 . 1 1 35 35 SER N N 35 111.131 111.131 116.139 -5.008 18733 4189 1 12 . 1 1 35 35 SER HA H 35 3.420 3.420 4.264 -0.844 18733 4190 1 12 . 1 1 35 35 SER CA C 35 61.316 61.316 61.521 -0.205 18733 4191 1 12 . 1 1 35 35 SER CB C 35 62.547 62.547 63.164 -0.617 18733 4192 1 12 . 1 1 36 36 PHE N N 36 127.676 127.676 122.830 4.846 18733 4193 1 12 . 1 1 36 36 PHE HA H 36 4.490 4.490 4.344 0.146 18733 4194 1 12 . 1 1 36 36 PHE CA C 36 57.592 57.592 61.678 -4.086 18733 4195 1 12 . 1 1 36 36 PHE CB C 36 38.111 38.111 39.499 -1.388 18733 4196 1 12 . 1 1 37 37 MET N N 37 119.851 119.851 118.947 0.904 18733 4197 1 12 . 1 1 37 37 MET HA H 37 3.859 3.859 4.170 -0.311 18733 4198 1 12 . 1 1 37 37 MET CA C 37 59.444 59.444 59.289 0.155 18733 4199 1 12 . 1 1 37 37 MET CB C 37 33.517 33.517 32.646 0.871 18733 4200 1 12 . 1 1 38 38 TRP N N 38 121.153 121.153 121.713 -0.560 18733 4201 1 12 . 1 1 38 38 TRP HA H 38 3.981 3.981 4.193 -0.212 18733 4202 1 12 . 1 1 38 38 TRP CA C 38 62.129 62.129 60.939 1.190 18733 4203 1 12 . 1 1 38 38 TRP CB C 38 29.930 29.930 29.707 0.223 18733 4204 1 12 . 1 1 39 39 ALA N N 39 119.518 119.518 122.148 -2.630 18733 4205 1 12 . 1 1 39 39 ALA HA H 39 3.880 3.880 3.915 -0.035 18733 4206 1 12 . 1 1 39 39 ALA CA C 39 55.231 55.231 54.900 0.331 18733 4207 1 12 . 1 1 39 39 ALA CB C 39 20.477 20.477 17.923 2.554 18733 4208 1 12 . 1 1 40 40 LEU N N 40 116.794 116.794 119.916 -3.122 18733 4209 1 12 . 1 1 40 40 LEU HA H 40 2.741 2.741 3.872 -1.131 18733 4210 1 12 . 1 1 40 40 LEU CA C 40 56.979 56.979 57.001 -0.022 18733 4211 1 12 . 1 1 40 40 LEU CB C 40 40.563 40.563 41.258 -0.695 18733 4212 1 12 . 1 1 41 41 ALA N N 41 120.249 120.249 121.972 -1.723 18733 4213 1 12 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.853 -0.190 18733 4214 1 12 . 1 1 41 41 ALA CA C 41 54.943 54.943 54.992 -0.049 18733 4215 1 12 . 1 1 41 41 ALA CB C 41 17.512 17.512 18.348 -0.836 18733 4216 1 12 . 1 1 42 42 ARG N N 42 118.787 118.787 115.896 2.891 18733 4217 1 12 . 1 1 42 42 ARG HA H 42 3.315 3.315 4.021 -0.706 18733 4218 1 12 . 1 1 42 42 ARG CA C 42 60.027 60.027 57.800 2.227 18733 4219 1 12 . 1 1 42 42 ARG CB C 42 29.084 29.084 29.786 -0.702 18733 4220 1 12 . 1 1 43 43 TYR N N 43 122.429 122.429 121.517 0.912 18733 4221 1 12 . 1 1 43 43 TYR HA H 43 3.956 3.956 4.309 -0.352 18733 4222 1 12 . 1 1 43 43 TYR CA C 43 63.225 63.225 61.212 2.013 18733 4223 1 12 . 1 1 43 43 TYR CB C 43 39.819 39.819 39.031 0.788 18733 4224 1 12 . 1 1 44 44 ASN N N 44 116.736 116.736 117.503 -0.767 18733 4225 1 12 . 1 1 44 44 ASN HA H 44 4.170 4.170 4.325 -0.155 18733 4226 1 12 . 1 1 44 44 ASN CA C 44 56.267 56.267 55.937 0.330 18733 4227 1 12 . 1 1 44 44 ASN CB C 44 37.894 37.894 38.209 -0.315 18733 4228 1 12 . 1 1 45 45 ALA N N 45 124.950 124.950 122.385 2.565 18733 4229 1 12 . 1 1 45 45 ALA HA H 45 3.862 3.862 4.301 -0.439 18733 4230 1 12 . 1 1 45 45 ALA CA C 45 55.465 55.465 54.244 1.221 18733 4231 1 12 . 1 1 45 45 ALA CB C 45 18.587 18.587 18.215 0.372 18733 4232 1 12 . 1 1 46 46 TRP N N 46 119.686 119.686 120.700 -1.014 18733 4233 1 12 . 1 1 46 46 TRP HA H 46 2.849 2.849 4.271 -1.422 18733 4234 1 12 . 1 1 46 46 TRP CA C 46 60.783 60.783 59.171 1.612 18733 4235 1 12 . 1 1 46 46 TRP CB C 46 26.470 26.470 28.396 -1.926 18733 4236 1 12 . 1 1 47 47 PHE N N 47 121.090 121.090 114.770 6.320 18733 4237 1 12 . 1 1 47 47 PHE HA H 47 2.939 2.939 4.314 -1.375 18733 4238 1 12 . 1 1 47 47 PHE CA C 47 59.116 59.116 58.823 0.293 18733 4239 1 12 . 1 1 47 47 PHE CB C 47 38.212 38.212 39.184 -0.972 18733 4240 1 12 . 1 1 48 48 GLY N N 48 109.386 109.386 107.959 1.427 18733 4241 1 12 . 1 1 48 48 GLY CA C 48 47.209 47.209 46.805 0.404 18733 4242 1 12 . 1 1 49 49 SER N N 49 118.098 118.098 115.558 2.540 18733 4243 1 12 . 1 1 49 49 SER CA C 49 62.016 62.016 60.289 1.726 18733 4244 1 12 . 1 1 49 49 SER CB C 49 63.411 63.411 63.105 0.306 18733 4245 1 12 . 1 1 50 50 THR N N 50 110.801 110.801 113.089 -2.288 18733 4246 1 12 . 1 1 50 50 THR HA H 50 3.851 3.851 4.483 -0.632 18733 4247 1 12 . 1 1 50 50 THR CA C 50 63.914 63.914 61.750 2.164 18733 4248 1 12 . 1 1 50 50 THR CB C 50 69.676 69.676 68.642 1.034 18733 4249 1 12 . 1 1 51 51 SER N N 51 115.249 115.249 116.282 -1.033 18733 4250 1 12 . 1 1 51 51 SER HA H 51 3.990 3.990 4.461 -0.471 18733 4251 1 12 . 1 1 51 51 SER CA C 51 59.360 59.360 59.875 -0.515 18733 4252 1 12 . 1 1 51 51 SER CB C 51 63.142 63.142 63.933 -0.791 18733 4253 1 12 . 1 1 52 52 PHE N N 52 118.004 118.004 117.694 0.310 18733 4254 1 12 . 1 1 52 52 PHE HA H 52 4.861 4.861 4.749 0.112 18733 4255 1 12 . 1 1 52 52 PHE CA C 52 57.045 57.045 56.844 0.201 18733 4256 1 12 . 1 1 52 52 PHE CB C 52 42.165 42.165 41.851 0.314 18733 4257 1 12 . 1 1 53 53 GLU N N 53 119.224 119.224 118.353 0.871 18733 4258 1 12 . 1 1 53 53 GLU HA H 53 4.415 4.415 4.401 0.014 18733 4259 1 12 . 1 1 53 53 GLU CA C 53 57.653 57.653 57.008 0.645 18733 4260 1 12 . 1 1 53 53 GLU CB C 53 31.679 31.679 30.469 1.210 18733 4261 1 12 . 1 1 54 54 THR N N 54 105.230 105.230 111.154 -5.924 18733 4262 1 12 . 1 1 54 54 THR HA H 54 4.529 4.529 4.623 -0.094 18733 4263 1 12 . 1 1 54 54 THR CA C 54 58.360 58.360 59.571 -1.211 18733 4264 1 12 . 1 1 54 54 THR CB C 54 73.366 73.366 72.490 0.876 18733 4265 1 12 . 1 1 55 55 LYS N N 55 122.509 122.509 122.300 0.209 18733 4266 1 12 . 1 1 55 55 LYS HA H 55 2.752 2.752 4.053 -1.301 18733 4267 1 12 . 1 1 55 55 LYS CA C 55 58.567 58.567 58.830 -0.263 18733 4268 1 12 . 1 1 55 55 LYS CB C 55 32.829 32.829 32.075 0.754 18733 4269 1 12 . 1 1 56 56 GLU N N 56 117.867 117.867 119.275 -1.408 18733 4270 1 12 . 1 1 56 56 GLU HA H 56 3.785 3.785 4.006 -0.221 18733 4271 1 12 . 1 1 56 56 GLU CA C 56 60.334 60.334 59.413 0.921 18733 4272 1 12 . 1 1 56 56 GLU CB C 56 28.185 28.185 29.255 -1.070 18733 4273 1 12 . 1 1 57 57 GLN N N 57 119.487 119.487 117.667 1.820 18733 4274 1 12 . 1 1 57 57 GLN HA H 57 3.788 3.788 3.914 -0.126 18733 4275 1 12 . 1 1 57 57 GLN CA C 57 58.056 58.056 57.506 0.550 18733 4276 1 12 . 1 1 57 57 GLN CB C 57 28.577 28.577 28.507 0.070 18733 4277 1 12 . 1 1 58 58 MET N N 58 118.284 118.284 120.792 -2.508 18733 4278 1 12 . 1 1 58 58 MET HA H 58 2.029 2.029 4.108 -2.079 18733 4279 1 12 . 1 1 58 58 MET CA C 58 58.862 58.862 59.016 -0.154 18733 4280 1 12 . 1 1 58 58 MET CB C 58 30.814 30.814 32.652 -1.838 18733 4281 1 12 . 1 1 59 59 GLN N N 59 116.663 116.663 119.050 -2.387 18733 4282 1 12 . 1 1 59 59 GLN HA H 59 3.578 3.578 4.100 -0.522 18733 4283 1 12 . 1 1 59 59 GLN CA C 59 59.361 59.361 58.690 0.672 18733 4284 1 12 . 1 1 59 59 GLN CB C 59 28.975 28.975 28.644 0.331 18733 4285 1 12 . 1 1 60 60 ALA N N 60 119.084 119.084 121.189 -2.105 18733 4286 1 12 . 1 1 60 60 ALA HA H 60 4.028 4.028 4.228 -0.200 18733 4287 1 12 . 1 1 60 60 ALA CA C 60 54.245 54.245 54.041 0.204 18733 4288 1 12 . 1 1 60 60 ALA CB C 60 18.161 18.161 18.473 -0.312 18733 4289 1 12 . 1 1 61 61 LYS N N 61 115.215 115.215 116.192 -0.977 18733 4290 1 12 . 1 1 61 61 LYS HA H 61 4.517 4.517 4.608 -0.091 18733 4291 1 12 . 1 1 61 61 LYS CA C 61 54.188 54.188 55.331 -1.143 18733 4292 1 12 . 1 1 61 61 LYS CB C 61 33.239 33.239 32.802 0.437 18733 4293 1 12 . 1 1 62 62 LYS N N 62 122.199 122.199 121.578 0.621 18733 4294 1 12 . 1 1 62 62 LYS HA H 62 3.582 3.582 3.957 -0.375 18733 4295 1 12 . 1 1 62 62 LYS CA C 62 61.271 61.271 60.157 1.114 18733 4296 1 12 . 1 1 62 62 LYS CB C 62 33.052 33.052 31.803 1.249 18733 4297 1 12 . 1 1 63 63 GLN N N 63 117.101 117.101 115.953 1.148 18733 4298 1 12 . 1 1 63 63 GLN HA H 63 3.767 3.767 4.176 -0.409 18733 4299 1 12 . 1 1 63 63 GLN CA C 63 58.948 58.948 57.408 1.540 18733 4300 1 12 . 1 1 63 63 GLN CB C 63 27.823 27.823 28.064 -0.241 18733 4301 1 12 . 1 1 64 64 GLU N N 64 119.459 119.459 117.033 2.426 18733 4302 1 12 . 1 1 64 64 GLU HA H 64 4.035 4.035 4.220 -0.185 18733 4303 1 12 . 1 1 64 64 GLU CA C 64 59.672 59.672 57.831 1.841 18733 4304 1 12 . 1 1 64 64 GLU CB C 64 29.755 29.755 29.939 -0.184 18733 4305 1 12 . 1 1 65 65 MET N N 65 118.493 118.493 115.103 3.390 18733 4306 1 12 . 1 1 65 65 MET HA H 65 4.077 4.077 4.432 -0.355 18733 4307 1 12 . 1 1 65 65 MET CA C 65 59.488 59.488 57.919 1.569 18733 4308 1 12 . 1 1 65 65 MET CB C 65 34.335 34.335 33.396 0.939 18733 4309 1 12 . 1 1 66 66 MET N N 66 117.848 117.848 118.686 -0.838 18733 4310 1 12 . 1 1 66 66 MET HA H 66 4.127 4.127 4.161 -0.034 18733 4311 1 12 . 1 1 66 66 MET CA C 66 59.790 59.790 57.727 2.063 18733 4312 1 12 . 1 1 66 66 MET CB C 66 31.196 31.196 32.233 -1.037 18733 4313 1 12 . 1 1 67 67 ASP N N 67 118.987 118.987 118.755 0.232 18733 4314 1 12 . 1 1 67 67 ASP HA H 67 4.283 4.283 4.409 -0.126 18733 4315 1 12 . 1 1 67 67 ASP CA C 67 57.892 57.892 56.197 1.695 18733 4316 1 12 . 1 1 67 67 ASP CB C 67 39.885 39.885 40.832 -0.947 18733 4317 1 12 . 1 1 68 68 TYR N N 68 119.790 119.790 112.928 6.862 18733 4318 1 12 . 1 1 68 68 TYR HA H 68 4.118 4.118 4.819 -0.701 18733 4319 1 12 . 1 1 68 68 TYR CA C 68 61.588 61.588 56.267 5.321 18733 4320 1 12 . 1 1 68 68 TYR CB C 68 37.806 37.806 38.438 -0.631 18733 4321 1 12 . 1 1 69 69 TYR N N 69 118.552 118.552 120.855 -2.303 18733 4322 1 12 . 1 1 69 69 TYR HA H 69 4.057 4.057 3.813 0.244 18733 4323 1 12 . 1 1 69 69 TYR CA C 69 62.536 62.536 59.993 2.543 18733 4324 1 12 . 1 1 69 69 TYR CB C 69 37.582 37.582 37.887 -0.305 18733 4325 1 12 . 1 1 70 70 MET N N 70 117.939 117.939 117.247 0.692 18733 4326 1 12 . 1 1 70 70 MET HA H 70 4.489 4.489 4.062 0.426 18733 4327 1 12 . 1 1 70 70 MET CA C 70 58.947 58.947 59.005 -0.058 18733 4328 1 12 . 1 1 70 70 MET CB C 70 31.380 31.380 32.177 -0.797 18733 4329 1 12 . 1 1 71 71 ASP N N 71 120.118 120.118 115.412 4.706 18733 4330 1 12 . 1 1 71 71 ASP HA H 71 4.390 4.390 4.687 -0.297 18733 4331 1 12 . 1 1 71 71 ASP CA C 71 57.730 57.730 54.929 2.801 18733 4332 1 12 . 1 1 71 71 ASP CB C 71 40.050 40.050 40.836 -0.786 18733 4333 1 12 . 1 1 72 72 ARG N N 72 118.091 118.091 118.986 -0.895 18733 4334 1 12 . 1 1 72 72 ARG HA H 72 4.107 4.107 4.410 -0.302 18733 4335 1 12 . 1 1 72 72 ARG CA C 72 58.260 58.260 57.546 0.714 18733 4336 1 12 . 1 1 72 72 ARG CB C 72 31.091 31.091 31.138 -0.047 18733 4337 1 12 . 1 1 73 73 TYR N N 73 121.878 121.878 116.823 5.055 18733 4338 1 12 . 1 1 73 73 TYR HA H 73 4.178 4.178 4.741 -0.563 18733 4339 1 12 . 1 1 73 73 TYR CA C 73 61.440 61.440 55.011 6.429 18733 4340 1 12 . 1 1 73 73 TYR CB C 73 38.677 38.677 36.668 2.009 18733 4341 1 12 . 1 1 74 74 LYS N N 74 119.791 119.791 122.432 -2.641 18733 4342 1 12 . 1 1 74 74 LYS HA H 74 3.564 3.564 3.685 -0.121 18733 4343 1 12 . 1 1 74 74 LYS CA C 74 60.621 60.621 60.033 0.588 18733 4344 1 12 . 1 1 74 74 LYS CB C 74 32.225 32.225 31.938 0.287 18733 4345 1 12 . 1 1 75 75 GLU N N 75 116.140 116.140 117.905 -1.765 18733 4346 1 12 . 1 1 75 75 GLU HA H 75 4.004 4.004 4.052 -0.048 18733 4347 1 12 . 1 1 75 75 GLU CA C 75 59.293 59.293 58.928 0.365 18733 4348 1 12 . 1 1 75 75 GLU CB C 75 29.627 29.627 28.727 0.900 18733 4349 1 12 . 1 1 76 76 MET N N 76 119.200 119.200 118.666 0.534 18733 4350 1 12 . 1 1 76 76 MET HA H 76 4.250 4.250 4.221 0.029 18733 4351 1 12 . 1 1 76 76 MET CA C 76 60.058 60.058 58.518 1.540 18733 4352 1 12 . 1 1 76 76 MET CB C 76 32.751 32.751 32.569 0.182 18733 4353 1 12 . 1 1 77 77 LEU N N 77 125.191 125.191 120.363 4.828 18733 4354 1 12 . 1 1 77 77 LEU HA H 77 3.703 3.703 3.937 -0.234 18733 4355 1 12 . 1 1 77 77 LEU CA C 77 58.589 58.589 57.589 1.000 18733 4356 1 12 . 1 1 77 77 LEU CB C 77 41.650 41.650 41.885 -0.235 18733 4357 1 12 . 1 1 78 78 ASP N N 78 119.843 119.843 119.731 0.112 18733 4358 1 12 . 1 1 78 78 ASP HA H 78 4.177 4.177 4.278 -0.101 18733 4359 1 12 . 1 1 78 78 ASP CA C 78 58.584 58.584 57.773 0.811 18733 4360 1 12 . 1 1 78 78 ASP CB C 78 42.352 42.352 41.135 1.217 18733 4361 1 12 . 1 1 79 79 ALA N N 79 117.168 117.168 120.722 -3.554 18733 4362 1 12 . 1 1 79 79 ALA HA H 79 4.077 4.077 4.159 -0.082 18733 4363 1 12 . 1 1 79 79 ALA CA C 79 55.317 55.317 54.636 0.681 18733 4364 1 12 . 1 1 79 79 ALA CB C 79 18.335 18.335 18.619 -0.284 18733 4365 1 12 . 1 1 80 80 ASN N N 80 115.882 115.882 114.958 0.924 18733 4366 1 12 . 1 1 80 80 ASN HA H 80 4.416 4.416 4.874 -0.458 18733 4367 1 12 . 1 1 80 80 ASN CA C 80 57.791 57.791 54.480 3.311 18733 4368 1 12 . 1 1 80 80 ASN CB C 80 40.251 40.251 39.533 0.718 18733 4369 1 12 . 1 1 81 81 MET N N 81 120.945 120.945 121.082 -0.137 18733 4370 1 12 . 1 1 81 81 MET HA H 81 4.129 4.129 4.267 -0.138 18733 4371 1 12 . 1 1 81 81 MET CA C 81 58.954 58.954 58.781 0.173 18733 4372 1 12 . 1 1 81 81 MET CB C 81 31.937 31.937 32.143 -0.206 18733 4373 1 12 . 1 1 82 82 GLU N N 82 116.578 116.578 117.996 -1.418 18733 4374 1 12 . 1 1 82 82 GLU HA H 82 3.979 3.979 4.106 -0.127 18733 4375 1 12 . 1 1 82 82 GLU CA C 82 59.214 59.214 58.706 0.508 18733 4376 1 12 . 1 1 82 82 GLU CB C 82 29.207 29.207 28.998 0.209 18733 4377 1 12 . 1 1 83 83 ASP N N 83 119.199 119.199 120.329 -1.130 18733 4378 1 12 . 1 1 83 83 ASP HA H 83 4.399 4.399 4.589 -0.190 18733 4379 1 12 . 1 1 83 83 ASP CA C 83 57.554 57.554 57.324 0.230 18733 4380 1 12 . 1 1 83 83 ASP CB C 83 42.088 42.088 40.738 1.350 18733 4381 1 12 . 1 1 84 84 TYR N N 84 117.904 117.904 117.798 0.106 18733 4382 1 12 . 1 1 84 84 TYR HA H 84 3.931 3.931 4.503 -0.572 18733 4383 1 12 . 1 1 84 84 TYR CA C 84 63.663 63.663 60.981 2.682 18733 4384 1 12 . 1 1 84 84 TYR CB C 84 39.134 39.134 38.681 0.453 18733 4385 1 12 . 1 1 85 85 ILE N N 85 116.362 116.362 117.290 -0.928 18733 4386 1 12 . 1 1 85 85 ILE HA H 85 3.752 3.752 3.841 -0.089 18733 4387 1 12 . 1 1 85 85 ILE CA C 85 66.287 66.287 64.232 2.055 18733 4388 1 12 . 1 1 85 85 ILE CB C 85 38.815 38.815 38.438 0.377 18733 4389 1 12 . 1 1 86 86 GLU N N 86 117.696 117.696 118.936 -1.240 18733 4390 1 12 . 1 1 86 86 GLU HA H 86 3.896 3.896 4.140 -0.244 18733 4391 1 12 . 1 1 86 86 GLU CA C 86 59.290 59.290 58.991 0.299 18733 4392 1 12 . 1 1 86 86 GLU CB C 86 29.660 29.660 29.338 0.322 18733 4393 1 12 . 1 1 87 87 ASN N N 87 113.943 113.943 115.856 -1.913 18733 4394 1 12 . 1 1 87 87 ASN HA H 87 4.933 4.933 4.820 0.113 18733 4395 1 12 . 1 1 87 87 ASN CA C 87 52.462 52.462 53.545 -1.083 18733 4396 1 12 . 1 1 87 87 ASN CB C 87 38.847 38.847 38.956 -0.109 18733 4397 1 12 . 1 1 88 88 PHE N N 88 123.733 123.733 123.101 0.632 18733 4398 1 12 . 1 1 88 88 PHE HA H 88 4.141 4.141 4.382 -0.241 18733 4399 1 12 . 1 1 88 88 PHE CA C 88 63.888 63.888 62.852 1.036 18733 4400 1 12 . 1 1 88 88 PHE CB C 88 41.768 41.768 39.396 2.372 18733 4401 1 12 . 1 1 89 89 ASP N N 89 117.257 117.257 118.473 -1.216 18733 4402 1 12 . 1 1 89 89 ASP HA H 89 4.386 4.386 4.189 0.197 18733 4403 1 12 . 1 1 89 89 ASP CA C 89 57.468 57.468 58.377 -0.909 18733 4404 1 12 . 1 1 89 89 ASP CB C 89 39.886 39.886 39.953 -0.067 18733 4405 1 12 . 1 1 90 90 HIS N N 90 121.385 121.385 119.715 1.670 18733 4406 1 12 . 1 1 90 90 HIS HA H 90 4.294 4.294 4.122 0.172 18733 4407 1 12 . 1 1 90 90 HIS CA C 90 59.081 59.081 59.314 -0.233 18733 4408 1 12 . 1 1 90 90 HIS CB C 90 29.949 29.949 29.915 0.034 18733 4409 1 12 . 1 1 91 91 TYR N N 91 118.440 118.440 118.271 0.169 18733 4410 1 12 . 1 1 91 91 TYR HA H 91 4.192 4.192 4.584 -0.392 18733 4411 1 12 . 1 1 91 91 TYR CA C 91 59.618 59.618 60.760 -1.142 18733 4412 1 12 . 1 1 91 91 TYR CB C 91 36.860 36.860 38.243 -1.383 18733 4413 1 12 . 1 1 92 92 ARG N N 92 119.028 119.028 117.481 1.547 18733 4414 1 12 . 1 1 92 92 ARG HA H 92 4.023 4.023 3.866 0.157 18733 4415 1 12 . 1 1 92 92 ARG CA C 92 57.308 57.308 56.556 0.752 18733 4416 1 12 . 1 1 92 92 ARG CB C 92 29.129 29.129 29.378 -0.249 18733 4417 1 12 . 1 1 93 93 ALA N N 93 120.513 120.513 119.489 1.024 18733 4418 1 12 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.352 -0.141 18733 4419 1 12 . 1 1 93 93 ALA CA C 93 53.603 53.603 53.530 0.073 18733 4420 1 12 . 1 1 93 93 ALA CB C 93 18.864 18.864 18.965 -0.102 18733 4421 1 12 . 1 1 94 94 THR N N 94 108.668 108.668 111.361 -2.693 18733 4422 1 12 . 1 1 94 94 THR HA H 94 4.249 4.249 4.182 0.067 18733 4423 1 12 . 1 1 94 94 THR CA C 94 62.170 62.170 62.670 -0.500 18733 4424 1 12 . 1 1 94 94 THR CB C 94 70.164 70.164 69.091 1.073 18733 4425 1 12 . 1 1 95 95 GLN N N 95 122.873 122.873 119.133 3.740 18733 4426 1 12 . 1 1 95 95 GLN HA H 95 4.288 4.288 4.676 -0.388 18733 4427 1 12 . 1 1 95 95 GLN CA C 95 56.073 56.073 54.286 1.787 18733 4428 1 12 . 1 1 95 95 GLN CB C 95 28.903 28.903 31.688 -2.784 18733 4429 1 13 . 1 1 2 2 ASN HA H 2 4.590 4.590 5.055 -0.465 18733 4430 1 13 . 1 1 2 2 ASN CA C 2 53.554 53.554 52.364 1.190 18733 4431 1 13 . 1 1 2 2 ASN CB C 2 38.650 38.650 40.162 -1.512 18733 4432 1 13 . 1 1 3 3 ASN HA H 3 4.526 4.526 5.126 -0.600 18733 4433 1 13 . 1 1 3 3 ASN CA C 3 53.720 53.720 53.114 0.606 18733 4434 1 13 . 1 1 3 3 ASN CB C 3 38.473 38.473 40.041 -1.569 18733 4435 1 13 . 1 1 4 4 GLU N N 4 121.638 121.638 123.690 -2.052 18733 4436 1 13 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.259 -0.173 18733 4437 1 13 . 1 1 4 4 GLU CA C 4 57.656 57.656 58.594 -0.939 18733 4438 1 13 . 1 1 4 4 GLU CB C 4 29.649 29.649 30.047 -0.398 18733 4439 1 13 . 1 1 5 5 ASN N N 5 118.543 118.543 116.562 1.981 18733 4440 1 13 . 1 1 5 5 ASN HA H 5 4.531 4.531 4.667 -0.136 18733 4441 1 13 . 1 1 5 5 ASN CA C 5 55.114 55.114 53.135 1.979 18733 4442 1 13 . 1 1 5 5 ASN CB C 5 38.417 38.417 39.251 -0.834 18733 4443 1 13 . 1 1 6 6 ALA N N 6 123.531 123.531 122.338 1.193 18733 4444 1 13 . 1 1 6 6 ALA HA H 6 4.057 4.057 3.693 0.364 18733 4445 1 13 . 1 1 6 6 ALA CA C 6 55.266 55.266 51.350 3.916 18733 4446 1 13 . 1 1 6 6 ALA CB C 6 18.099 18.099 18.701 -0.602 18733 4447 1 13 . 1 1 7 7 PHE N N 7 119.588 119.588 119.236 0.352 18733 4448 1 13 . 1 1 7 7 PHE HA H 7 3.777 3.777 4.547 -0.770 18733 4449 1 13 . 1 1 7 7 PHE CA C 7 61.179 61.179 54.752 6.427 18733 4450 1 13 . 1 1 7 7 PHE CB C 7 38.947 38.947 35.707 3.240 18733 4451 1 13 . 1 1 8 8 TYR N N 8 116.300 116.300 123.302 -7.002 18733 4452 1 13 . 1 1 8 8 TYR HA H 8 4.007 4.007 4.138 -0.131 18733 4453 1 13 . 1 1 8 8 TYR CA C 8 61.117 61.117 62.716 -1.599 18733 4454 1 13 . 1 1 8 8 TYR CB C 8 37.370 37.370 37.060 0.310 18733 4455 1 13 . 1 1 9 9 ALA N N 9 124.516 124.516 118.375 6.141 18733 4456 1 13 . 1 1 9 9 ALA HA H 9 4.074 4.074 4.249 -0.175 18733 4457 1 13 . 1 1 9 9 ALA CA C 9 55.415 55.415 53.890 1.525 18733 4458 1 13 . 1 1 9 9 ALA CB C 9 17.797 17.797 18.260 -0.463 18733 4459 1 13 . 1 1 10 10 ARG N N 10 118.255 118.255 118.323 -0.068 18733 4460 1 13 . 1 1 10 10 ARG HA H 10 3.857 3.857 4.306 -0.449 18733 4461 1 13 . 1 1 10 10 ARG CA C 10 60.070 60.070 57.212 2.858 18733 4462 1 13 . 1 1 10 10 ARG CB C 10 31.179 31.179 30.618 0.561 18733 4463 1 13 . 1 1 11 11 ALA N N 11 119.258 119.258 121.938 -2.680 18733 4464 1 13 . 1 1 11 11 ALA HA H 11 4.079 4.079 4.135 -0.056 18733 4465 1 13 . 1 1 11 11 ALA CA C 11 55.152 55.152 54.751 0.401 18733 4466 1 13 . 1 1 11 11 ALA CB C 11 19.072 19.072 17.945 1.127 18733 4467 1 13 . 1 1 12 12 THR N N 12 114.669 114.669 113.154 1.515 18733 4468 1 13 . 1 1 12 12 THR HA H 12 3.761 3.761 4.027 -0.266 18733 4469 1 13 . 1 1 12 12 THR CA C 12 67.028 67.028 65.936 1.092 18733 4470 1 13 . 1 1 12 12 THR CB C 12 68.661 68.661 68.709 -0.048 18733 4471 1 13 . 1 1 13 13 GLU N N 13 120.838 120.838 120.554 0.284 18733 4472 1 13 . 1 1 13 13 GLU HA H 13 3.782 3.782 4.183 -0.401 18733 4473 1 13 . 1 1 13 13 GLU CA C 13 59.781 59.781 58.597 1.184 18733 4474 1 13 . 1 1 13 13 GLU CB C 13 29.713 29.713 29.500 0.213 18733 4475 1 13 . 1 1 14 14 LEU N N 14 119.831 119.831 120.381 -0.550 18733 4476 1 13 . 1 1 14 14 LEU HA H 14 3.616 3.616 4.177 -0.561 18733 4477 1 13 . 1 1 14 14 LEU CA C 14 58.363 58.363 57.819 0.544 18733 4478 1 13 . 1 1 14 14 LEU CB C 14 42.109 42.109 41.441 0.668 18733 4479 1 13 . 1 1 15 15 ILE N N 15 119.150 119.150 117.763 1.387 18733 4480 1 13 . 1 1 15 15 ILE HA H 15 3.376 3.376 3.559 -0.183 18733 4481 1 13 . 1 1 15 15 ILE CA C 15 66.274 66.274 64.485 1.789 18733 4482 1 13 . 1 1 15 15 ILE CB C 15 38.343 38.343 37.392 0.951 18733 4483 1 13 . 1 1 16 16 LYS N N 16 118.734 118.734 119.404 -0.670 18733 4484 1 13 . 1 1 16 16 LYS HA H 16 3.808 3.808 4.017 -0.209 18733 4485 1 13 . 1 1 16 16 LYS CA C 16 59.950 59.950 58.343 1.607 18733 4486 1 13 . 1 1 16 16 LYS CB C 16 32.109 32.109 31.494 0.615 18733 4487 1 13 . 1 1 17 17 LEU N N 17 121.376 121.376 120.126 1.250 18733 4488 1 13 . 1 1 17 17 LEU HA H 17 4.017 4.017 4.142 -0.125 18733 4489 1 13 . 1 1 17 17 LEU CA C 17 57.733 57.733 57.665 0.068 18733 4490 1 13 . 1 1 17 17 LEU CB C 17 40.385 40.385 41.109 -0.724 18733 4491 1 13 . 1 1 18 18 ALA N N 18 123.298 123.298 120.875 2.423 18733 4492 1 13 . 1 1 18 18 ALA HA H 18 3.547 3.547 4.061 -0.514 18733 4493 1 13 . 1 1 18 18 ALA CA C 18 55.031 55.031 54.677 0.354 18733 4494 1 13 . 1 1 18 18 ALA CB C 18 17.716 17.716 18.459 -0.743 18733 4495 1 13 . 1 1 19 19 ASN N N 19 114.581 114.581 117.367 -2.786 18733 4496 1 13 . 1 1 19 19 ASN HA H 19 4.504 4.504 4.353 0.151 18733 4497 1 13 . 1 1 19 19 ASN CA C 19 55.633 55.633 56.386 -0.753 18733 4498 1 13 . 1 1 19 19 ASN CB C 19 37.683 37.683 38.400 -0.717 18733 4499 1 13 . 1 1 20 20 GLN N N 20 122.054 122.054 118.150 3.904 18733 4500 1 13 . 1 1 20 20 GLN HA H 20 3.959 3.959 4.294 -0.335 18733 4501 1 13 . 1 1 20 20 GLN CA C 20 58.913 58.913 58.245 0.667 18733 4502 1 13 . 1 1 20 20 GLN CB C 20 28.293 28.293 28.474 -0.181 18733 4503 1 13 . 1 1 21 21 GLN N N 21 120.962 120.962 118.081 2.881 18733 4504 1 13 . 1 1 21 21 GLN HA H 21 3.863 3.863 4.189 -0.326 18733 4505 1 13 . 1 1 21 21 GLN CA C 21 58.371 58.371 58.194 0.177 18733 4506 1 13 . 1 1 21 21 GLN CB C 21 27.603 27.603 28.928 -1.325 18733 4507 1 13 . 1 1 22 22 ASN N N 22 114.486 114.486 117.318 -2.832 18733 4508 1 13 . 1 1 22 22 ASN HA H 22 4.550 4.550 4.582 -0.032 18733 4509 1 13 . 1 1 22 22 ASN CA C 22 53.545 53.545 53.752 -0.207 18733 4510 1 13 . 1 1 22 22 ASN CB C 22 39.752 39.752 38.526 1.226 18733 4511 1 13 . 1 1 23 23 GLN N N 23 117.002 117.002 116.811 0.191 18733 4512 1 13 . 1 1 23 23 GLN HA H 23 4.121 4.121 4.230 -0.109 18733 4513 1 13 . 1 1 23 23 GLN CA C 23 56.336 56.336 56.339 -0.003 18733 4514 1 13 . 1 1 23 23 GLN CB C 23 28.367 28.367 28.869 -0.502 18733 4515 1 13 . 1 1 24 24 ASN N N 24 117.868 117.868 117.760 0.108 18733 4516 1 13 . 1 1 24 24 ASN HA H 24 4.554 4.554 4.735 -0.181 18733 4517 1 13 . 1 1 24 24 ASN CA C 24 53.550 53.550 54.107 -0.557 18733 4518 1 13 . 1 1 24 24 ASN CB C 24 38.856 38.856 39.396 -0.540 18733 4519 1 13 . 1 1 25 25 THR N N 25 115.612 115.612 113.711 1.901 18733 4520 1 13 . 1 1 25 25 THR HA H 25 4.193 4.193 4.443 -0.250 18733 4521 1 13 . 1 1 25 25 THR CA C 25 63.026 63.026 62.209 0.817 18733 4522 1 13 . 1 1 25 25 THR CB C 25 69.388 69.388 69.555 -0.167 18733 4523 1 13 . 1 1 26 26 GLU N N 26 119.600 119.600 120.724 -1.124 18733 4524 1 13 . 1 1 26 26 GLU HA H 26 4.213 4.213 4.331 -0.118 18733 4525 1 13 . 1 1 26 26 GLU CA C 26 56.803 56.803 57.346 -0.543 18733 4526 1 13 . 1 1 26 26 GLU CB C 26 29.566 29.566 29.247 0.319 18733 4527 1 13 . 1 1 27 27 ILE N N 27 118.383 118.383 120.058 -1.675 18733 4528 1 13 . 1 1 27 27 ILE HA H 27 4.320 4.320 4.363 -0.043 18733 4529 1 13 . 1 1 27 27 ILE CA C 27 59.638 59.638 58.895 0.743 18733 4530 1 13 . 1 1 27 27 ILE CB C 27 39.531 39.531 40.636 -1.105 18733 4531 1 13 . 1 1 28 28 GLN N N 28 122.321 122.321 121.923 0.398 18733 4532 1 13 . 1 1 28 28 GLN HA H 28 4.593 4.593 4.422 0.171 18733 4533 1 13 . 1 1 28 28 GLN CA C 28 54.684 54.684 55.881 -1.197 18733 4534 1 13 . 1 1 28 28 GLN CB C 28 30.183 30.183 29.244 0.939 18733 4535 1 13 . 1 1 29 29 THR N N 29 119.517 119.517 118.153 1.364 18733 4536 1 13 . 1 1 29 29 THR HA H 29 3.916 3.916 4.014 -0.098 18733 4537 1 13 . 1 1 29 29 THR CA C 29 65.895 65.895 66.040 -0.145 18733 4538 1 13 . 1 1 29 29 THR CB C 29 68.708 68.708 68.629 0.079 18733 4539 1 13 . 1 1 30 30 GLY N N 30 109.285 109.285 108.541 0.744 18733 4540 1 13 . 1 1 30 30 GLY CA C 30 47.126 47.126 46.522 0.604 18733 4541 1 13 . 1 1 31 31 GLU N N 31 120.940 120.940 121.519 -0.579 18733 4542 1 13 . 1 1 31 31 GLU HA H 31 4.259 4.259 4.219 0.040 18733 4543 1 13 . 1 1 31 31 GLU CA C 31 59.424 59.424 58.686 0.738 18733 4544 1 13 . 1 1 31 31 GLU CB C 31 29.410 29.410 29.066 0.344 18733 4545 1 13 . 1 1 32 32 VAL N N 32 122.718 122.718 119.723 2.995 18733 4546 1 13 . 1 1 32 32 VAL HA H 32 3.568 3.568 3.805 -0.237 18733 4547 1 13 . 1 1 32 32 VAL CA C 32 66.122 66.122 66.342 -0.220 18733 4548 1 13 . 1 1 32 32 VAL CB C 32 31.157 31.157 31.535 -0.378 18733 4549 1 13 . 1 1 33 33 SER N N 33 114.886 114.886 116.194 -1.308 18733 4550 1 13 . 1 1 33 33 SER HA H 33 4.112 4.112 4.173 -0.061 18733 4551 1 13 . 1 1 33 33 SER CA C 33 62.119 62.119 61.828 0.291 18733 4552 1 13 . 1 1 33 33 SER CB C 33 63.293 63.293 62.864 0.429 18733 4553 1 13 . 1 1 34 34 ALA N N 34 121.240 121.240 124.101 -2.861 18733 4554 1 13 . 1 1 34 34 ALA HA H 34 4.505 4.505 4.222 0.283 18733 4555 1 13 . 1 1 34 34 ALA CA C 34 55.790 55.790 54.868 0.922 18733 4556 1 13 . 1 1 34 34 ALA CB C 34 18.845 18.845 18.213 0.632 18733 4557 1 13 . 1 1 35 35 SER N N 35 111.131 111.131 116.240 -5.109 18733 4558 1 13 . 1 1 35 35 SER HA H 35 3.420 3.420 4.309 -0.889 18733 4559 1 13 . 1 1 35 35 SER CA C 35 61.316 61.316 62.440 -1.124 18733 4560 1 13 . 1 1 35 35 SER CB C 35 62.547 62.547 63.085 -0.538 18733 4561 1 13 . 1 1 36 36 PHE N N 36 127.676 127.676 123.164 4.512 18733 4562 1 13 . 1 1 36 36 PHE HA H 36 4.490 4.490 4.179 0.311 18733 4563 1 13 . 1 1 36 36 PHE CA C 36 57.592 57.592 61.615 -4.023 18733 4564 1 13 . 1 1 36 36 PHE CB C 36 38.111 38.111 39.337 -1.226 18733 4565 1 13 . 1 1 37 37 MET N N 37 119.851 119.851 119.870 -0.019 18733 4566 1 13 . 1 1 37 37 MET HA H 37 3.859 3.859 4.104 -0.245 18733 4567 1 13 . 1 1 37 37 MET CA C 37 59.444 59.444 59.455 -0.011 18733 4568 1 13 . 1 1 37 37 MET CB C 37 33.517 33.517 32.825 0.692 18733 4569 1 13 . 1 1 38 38 TRP N N 38 121.153 121.153 121.177 -0.024 18733 4570 1 13 . 1 1 38 38 TRP HA H 38 3.981 3.981 4.242 -0.261 18733 4571 1 13 . 1 1 38 38 TRP CA C 38 62.129 62.129 60.353 1.776 18733 4572 1 13 . 1 1 38 38 TRP CB C 38 29.930 29.930 29.810 0.120 18733 4573 1 13 . 1 1 39 39 ALA N N 39 119.518 119.518 122.517 -2.999 18733 4574 1 13 . 1 1 39 39 ALA HA H 39 3.880 3.880 3.814 0.066 18733 4575 1 13 . 1 1 39 39 ALA CA C 39 55.231 55.231 54.868 0.363 18733 4576 1 13 . 1 1 39 39 ALA CB C 39 20.477 20.477 17.803 2.674 18733 4577 1 13 . 1 1 40 40 LEU N N 40 116.794 116.794 119.835 -3.041 18733 4578 1 13 . 1 1 40 40 LEU HA H 40 2.741 2.741 3.861 -1.120 18733 4579 1 13 . 1 1 40 40 LEU CA C 40 56.979 56.979 57.062 -0.083 18733 4580 1 13 . 1 1 40 40 LEU CB C 40 40.563 40.563 41.269 -0.706 18733 4581 1 13 . 1 1 41 41 ALA N N 41 120.249 120.249 121.813 -1.564 18733 4582 1 13 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.837 -0.174 18733 4583 1 13 . 1 1 41 41 ALA CA C 41 54.943 54.943 55.116 -0.173 18733 4584 1 13 . 1 1 41 41 ALA CB C 41 17.512 17.512 17.989 -0.477 18733 4585 1 13 . 1 1 42 42 ARG N N 42 118.787 118.787 117.487 1.300 18733 4586 1 13 . 1 1 42 42 ARG HA H 42 3.315 3.315 3.863 -0.548 18733 4587 1 13 . 1 1 42 42 ARG CA C 42 60.027 60.027 58.710 1.317 18733 4588 1 13 . 1 1 42 42 ARG CB C 42 29.084 29.084 30.122 -1.038 18733 4589 1 13 . 1 1 43 43 TYR N N 43 122.429 122.429 119.497 2.932 18733 4590 1 13 . 1 1 43 43 TYR HA H 43 3.956 3.956 4.137 -0.181 18733 4591 1 13 . 1 1 43 43 TYR CA C 43 63.225 63.225 60.963 2.262 18733 4592 1 13 . 1 1 43 43 TYR CB C 43 39.819 39.819 38.555 1.264 18733 4593 1 13 . 1 1 44 44 ASN N N 44 116.736 116.736 117.110 -0.374 18733 4594 1 13 . 1 1 44 44 ASN HA H 44 4.170 4.170 4.608 -0.438 18733 4595 1 13 . 1 1 44 44 ASN CA C 44 56.267 56.267 55.077 1.190 18733 4596 1 13 . 1 1 44 44 ASN CB C 44 37.894 37.894 38.759 -0.865 18733 4597 1 13 . 1 1 45 45 ALA N N 45 124.950 124.950 121.443 3.507 18733 4598 1 13 . 1 1 45 45 ALA HA H 45 3.862 3.862 4.301 -0.439 18733 4599 1 13 . 1 1 45 45 ALA CA C 45 55.465 55.465 54.428 1.037 18733 4600 1 13 . 1 1 45 45 ALA CB C 45 18.587 18.587 18.180 0.407 18733 4601 1 13 . 1 1 46 46 TRP N N 46 119.686 119.686 121.086 -1.400 18733 4602 1 13 . 1 1 46 46 TRP HA H 46 2.849 2.849 4.173 -1.324 18733 4603 1 13 . 1 1 46 46 TRP CA C 46 60.783 60.783 60.722 0.061 18733 4604 1 13 . 1 1 46 46 TRP CB C 46 26.470 26.470 29.103 -2.633 18733 4605 1 13 . 1 1 47 47 PHE N N 47 121.090 121.090 117.088 4.002 18733 4606 1 13 . 1 1 47 47 PHE HA H 47 2.939 2.939 4.251 -1.312 18733 4607 1 13 . 1 1 47 47 PHE CA C 47 59.116 59.116 60.203 -1.087 18733 4608 1 13 . 1 1 47 47 PHE CB C 47 38.212 38.212 38.694 -0.482 18733 4609 1 13 . 1 1 48 48 GLY N N 48 109.386 109.386 107.648 1.738 18733 4610 1 13 . 1 1 48 48 GLY CA C 48 47.209 47.209 47.109 0.100 18733 4611 1 13 . 1 1 49 49 SER N N 49 118.098 118.098 116.099 1.999 18733 4612 1 13 . 1 1 49 49 SER CA C 49 62.016 62.016 60.846 1.171 18733 4613 1 13 . 1 1 49 49 SER CB C 49 63.411 63.411 62.724 0.687 18733 4614 1 13 . 1 1 50 50 THR N N 50 110.801 110.801 114.208 -3.407 18733 4615 1 13 . 1 1 50 50 THR HA H 50 3.851 3.851 4.396 -0.545 18733 4616 1 13 . 1 1 50 50 THR CA C 50 63.914 63.914 60.794 3.120 18733 4617 1 13 . 1 1 50 50 THR CB C 50 69.676 69.676 68.759 0.917 18733 4618 1 13 . 1 1 51 51 SER N N 51 115.249 115.249 117.885 -2.636 18733 4619 1 13 . 1 1 51 51 SER HA H 51 3.990 3.990 4.381 -0.391 18733 4620 1 13 . 1 1 51 51 SER CA C 51 59.360 59.360 60.466 -1.106 18733 4621 1 13 . 1 1 51 51 SER CB C 51 63.142 63.142 64.057 -0.915 18733 4622 1 13 . 1 1 52 52 PHE N N 52 118.004 118.004 116.650 1.354 18733 4623 1 13 . 1 1 52 52 PHE HA H 52 4.861 4.861 4.691 0.170 18733 4624 1 13 . 1 1 52 52 PHE CA C 52 57.045 57.045 57.131 -0.086 18733 4625 1 13 . 1 1 52 52 PHE CB C 52 42.165 42.165 41.997 0.168 18733 4626 1 13 . 1 1 53 53 GLU N N 53 119.224 119.224 118.331 0.893 18733 4627 1 13 . 1 1 53 53 GLU HA H 53 4.415 4.415 4.388 0.027 18733 4628 1 13 . 1 1 53 53 GLU CA C 53 57.653 57.653 56.866 0.787 18733 4629 1 13 . 1 1 53 53 GLU CB C 53 31.679 31.679 30.438 1.241 18733 4630 1 13 . 1 1 54 54 THR N N 54 105.230 105.230 111.087 -5.857 18733 4631 1 13 . 1 1 54 54 THR HA H 54 4.529 4.529 4.602 -0.073 18733 4632 1 13 . 1 1 54 54 THR CA C 54 58.360 58.360 59.537 -1.177 18733 4633 1 13 . 1 1 54 54 THR CB C 54 73.366 73.366 72.527 0.839 18733 4634 1 13 . 1 1 55 55 LYS N N 55 122.509 122.509 121.757 0.752 18733 4635 1 13 . 1 1 55 55 LYS HA H 55 2.752 2.752 4.035 -1.283 18733 4636 1 13 . 1 1 55 55 LYS CA C 55 58.567 58.567 58.991 -0.424 18733 4637 1 13 . 1 1 55 55 LYS CB C 55 32.829 32.829 32.046 0.783 18733 4638 1 13 . 1 1 56 56 GLU N N 56 117.867 117.867 118.518 -0.651 18733 4639 1 13 . 1 1 56 56 GLU HA H 56 3.785 3.785 4.046 -0.261 18733 4640 1 13 . 1 1 56 56 GLU CA C 56 60.334 60.334 59.211 1.123 18733 4641 1 13 . 1 1 56 56 GLU CB C 56 28.185 28.185 29.183 -0.998 18733 4642 1 13 . 1 1 57 57 GLN N N 57 119.487 119.487 117.073 2.414 18733 4643 1 13 . 1 1 57 57 GLN HA H 57 3.788 3.788 3.947 -0.159 18733 4644 1 13 . 1 1 57 57 GLN CA C 57 58.056 58.056 56.935 1.121 18733 4645 1 13 . 1 1 57 57 GLN CB C 57 28.577 28.577 28.837 -0.260 18733 4646 1 13 . 1 1 58 58 MET N N 58 118.284 118.284 120.718 -2.434 18733 4647 1 13 . 1 1 58 58 MET HA H 58 2.029 2.029 4.255 -2.226 18733 4648 1 13 . 1 1 58 58 MET CA C 58 58.862 58.862 58.719 0.143 18733 4649 1 13 . 1 1 58 58 MET CB C 58 30.814 30.814 32.852 -2.038 18733 4650 1 13 . 1 1 59 59 GLN N N 59 116.663 116.663 119.686 -3.023 18733 4651 1 13 . 1 1 59 59 GLN HA H 59 3.578 3.578 4.035 -0.457 18733 4652 1 13 . 1 1 59 59 GLN CA C 59 59.361 59.361 58.954 0.407 18733 4653 1 13 . 1 1 59 59 GLN CB C 59 28.975 28.975 28.637 0.338 18733 4654 1 13 . 1 1 60 60 ALA N N 60 119.084 119.084 120.251 -1.167 18733 4655 1 13 . 1 1 60 60 ALA HA H 60 4.028 4.028 4.151 -0.123 18733 4656 1 13 . 1 1 60 60 ALA CA C 60 54.245 54.245 54.496 -0.251 18733 4657 1 13 . 1 1 60 60 ALA CB C 60 18.161 18.161 18.299 -0.138 18733 4658 1 13 . 1 1 61 61 LYS N N 61 115.215 115.215 116.947 -1.732 18733 4659 1 13 . 1 1 61 61 LYS HA H 61 4.517 4.517 4.595 -0.078 18733 4660 1 13 . 1 1 61 61 LYS CA C 61 54.188 54.188 55.704 -1.516 18733 4661 1 13 . 1 1 61 61 LYS CB C 61 33.239 33.239 31.903 1.336 18733 4662 1 13 . 1 1 62 62 LYS N N 62 122.199 122.199 119.435 2.764 18733 4663 1 13 . 1 1 62 62 LYS HA H 62 3.582 3.582 3.955 -0.373 18733 4664 1 13 . 1 1 62 62 LYS CA C 62 61.271 61.271 59.665 1.606 18733 4665 1 13 . 1 1 62 62 LYS CB C 62 33.052 33.052 31.540 1.512 18733 4666 1 13 . 1 1 63 63 GLN N N 63 117.101 117.101 117.941 -0.840 18733 4667 1 13 . 1 1 63 63 GLN HA H 63 3.767 3.767 4.210 -0.443 18733 4668 1 13 . 1 1 63 63 GLN CA C 63 58.948 58.948 57.520 1.429 18733 4669 1 13 . 1 1 63 63 GLN CB C 63 27.823 27.823 28.445 -0.622 18733 4670 1 13 . 1 1 64 64 GLU N N 64 119.459 119.459 119.414 0.045 18733 4671 1 13 . 1 1 64 64 GLU HA H 64 4.035 4.035 4.095 -0.060 18733 4672 1 13 . 1 1 64 64 GLU CA C 64 59.672 59.672 58.935 0.737 18733 4673 1 13 . 1 1 64 64 GLU CB C 64 29.755 29.755 29.706 0.049 18733 4674 1 13 . 1 1 65 65 MET N N 65 118.493 118.493 115.348 3.145 18733 4675 1 13 . 1 1 65 65 MET HA H 65 4.077 4.077 4.351 -0.274 18733 4676 1 13 . 1 1 65 65 MET CA C 65 59.488 59.488 58.096 1.392 18733 4677 1 13 . 1 1 65 65 MET CB C 65 34.335 34.335 33.041 1.294 18733 4678 1 13 . 1 1 66 66 MET N N 66 117.848 117.848 117.327 0.521 18733 4679 1 13 . 1 1 66 66 MET HA H 66 4.127 4.127 3.949 0.178 18733 4680 1 13 . 1 1 66 66 MET CA C 66 59.790 59.790 57.736 2.054 18733 4681 1 13 . 1 1 66 66 MET CB C 66 31.196 31.196 32.226 -1.030 18733 4682 1 13 . 1 1 67 67 ASP N N 67 118.987 118.987 119.388 -0.401 18733 4683 1 13 . 1 1 67 67 ASP HA H 67 4.283 4.283 4.396 -0.113 18733 4684 1 13 . 1 1 67 67 ASP CA C 67 57.892 57.892 57.030 0.862 18733 4685 1 13 . 1 1 67 67 ASP CB C 67 39.885 39.885 41.056 -1.171 18733 4686 1 13 . 1 1 68 68 TYR N N 68 119.790 119.790 114.416 5.374 18733 4687 1 13 . 1 1 68 68 TYR HA H 68 4.118 4.118 4.764 -0.646 18733 4688 1 13 . 1 1 68 68 TYR CA C 68 61.588 61.588 57.042 4.545 18733 4689 1 13 . 1 1 68 68 TYR CB C 68 37.806 37.806 38.663 -0.857 18733 4690 1 13 . 1 1 69 69 TYR N N 69 118.552 118.552 118.834 -0.282 18733 4691 1 13 . 1 1 69 69 TYR HA H 69 4.057 4.057 3.831 0.226 18733 4692 1 13 . 1 1 69 69 TYR CA C 69 62.536 62.536 59.309 3.227 18733 4693 1 13 . 1 1 69 69 TYR CB C 69 37.582 37.582 38.020 -0.438 18733 4694 1 13 . 1 1 70 70 MET N N 70 117.939 117.939 117.555 0.384 18733 4695 1 13 . 1 1 70 70 MET HA H 70 4.489 4.489 4.122 0.367 18733 4696 1 13 . 1 1 70 70 MET CA C 70 58.947 58.947 58.582 0.365 18733 4697 1 13 . 1 1 70 70 MET CB C 70 31.380 31.380 32.267 -0.886 18733 4698 1 13 . 1 1 71 71 ASP N N 71 120.118 120.118 115.377 4.741 18733 4699 1 13 . 1 1 71 71 ASP HA H 71 4.390 4.390 4.775 -0.385 18733 4700 1 13 . 1 1 71 71 ASP CA C 71 57.730 57.730 54.140 3.590 18733 4701 1 13 . 1 1 71 71 ASP CB C 71 40.050 40.050 40.726 -0.676 18733 4702 1 13 . 1 1 72 72 ARG N N 72 118.091 118.091 118.556 -0.465 18733 4703 1 13 . 1 1 72 72 ARG HA H 72 4.107 4.107 4.476 -0.369 18733 4704 1 13 . 1 1 72 72 ARG CA C 72 58.260 58.260 57.084 1.176 18733 4705 1 13 . 1 1 72 72 ARG CB C 72 31.091 31.091 31.260 -0.169 18733 4706 1 13 . 1 1 73 73 TYR N N 73 121.878 121.878 117.255 4.623 18733 4707 1 13 . 1 1 73 73 TYR HA H 73 4.178 4.178 4.773 -0.595 18733 4708 1 13 . 1 1 73 73 TYR CA C 73 61.440 61.440 55.010 6.430 18733 4709 1 13 . 1 1 73 73 TYR CB C 73 38.677 38.677 38.007 0.670 18733 4710 1 13 . 1 1 74 74 LYS N N 74 119.791 119.791 122.488 -2.697 18733 4711 1 13 . 1 1 74 74 LYS HA H 74 3.564 3.564 3.614 -0.050 18733 4712 1 13 . 1 1 74 74 LYS CA C 74 60.621 60.621 60.428 0.193 18733 4713 1 13 . 1 1 74 74 LYS CB C 74 32.225 32.225 32.202 0.023 18733 4714 1 13 . 1 1 75 75 GLU N N 75 116.140 116.140 117.340 -1.200 18733 4715 1 13 . 1 1 75 75 GLU HA H 75 4.004 4.004 4.089 -0.085 18733 4716 1 13 . 1 1 75 75 GLU CA C 75 59.293 59.293 58.838 0.455 18733 4717 1 13 . 1 1 75 75 GLU CB C 75 29.627 29.627 28.720 0.907 18733 4718 1 13 . 1 1 76 76 MET N N 76 119.200 119.200 117.543 1.657 18733 4719 1 13 . 1 1 76 76 MET HA H 76 4.250 4.250 4.351 -0.101 18733 4720 1 13 . 1 1 76 76 MET CA C 76 60.058 60.058 57.733 2.325 18733 4721 1 13 . 1 1 76 76 MET CB C 76 32.751 32.751 32.640 0.111 18733 4722 1 13 . 1 1 77 77 LEU N N 77 125.191 125.191 121.080 4.111 18733 4723 1 13 . 1 1 77 77 LEU HA H 77 3.703 3.703 3.994 -0.291 18733 4724 1 13 . 1 1 77 77 LEU CA C 77 58.589 58.589 57.716 0.873 18733 4725 1 13 . 1 1 77 77 LEU CB C 77 41.650 41.650 41.587 0.063 18733 4726 1 13 . 1 1 78 78 ASP N N 78 119.843 119.843 118.653 1.190 18733 4727 1 13 . 1 1 78 78 ASP HA H 78 4.177 4.177 4.232 -0.055 18733 4728 1 13 . 1 1 78 78 ASP CA C 78 58.584 58.584 57.178 1.406 18733 4729 1 13 . 1 1 78 78 ASP CB C 78 42.352 42.352 41.229 1.123 18733 4730 1 13 . 1 1 79 79 ALA N N 79 117.168 117.168 119.792 -2.624 18733 4731 1 13 . 1 1 79 79 ALA HA H 79 4.077 4.077 4.221 -0.144 18733 4732 1 13 . 1 1 79 79 ALA CA C 79 55.317 55.317 53.516 1.801 18733 4733 1 13 . 1 1 79 79 ALA CB C 79 18.335 18.335 19.178 -0.843 18733 4734 1 13 . 1 1 80 80 ASN N N 80 115.882 115.882 115.337 0.545 18733 4735 1 13 . 1 1 80 80 ASN HA H 80 4.416 4.416 4.890 -0.474 18733 4736 1 13 . 1 1 80 80 ASN CA C 80 57.791 57.791 53.962 3.829 18733 4737 1 13 . 1 1 80 80 ASN CB C 80 40.251 40.251 40.033 0.218 18733 4738 1 13 . 1 1 81 81 MET N N 81 120.945 120.945 118.651 2.294 18733 4739 1 13 . 1 1 81 81 MET HA H 81 4.129 4.129 4.411 -0.282 18733 4740 1 13 . 1 1 81 81 MET CA C 81 58.954 58.954 56.906 2.048 18733 4741 1 13 . 1 1 81 81 MET CB C 81 31.937 31.937 33.497 -1.560 18733 4742 1 13 . 1 1 82 82 GLU N N 82 116.578 116.578 115.165 1.413 18733 4743 1 13 . 1 1 82 82 GLU HA H 82 3.979 3.979 3.782 0.197 18733 4744 1 13 . 1 1 82 82 GLU CA C 82 59.214 59.214 59.030 0.184 18733 4745 1 13 . 1 1 82 82 GLU CB C 82 29.207 29.207 27.442 1.765 18733 4746 1 13 . 1 1 83 83 ASP N N 83 119.199 119.199 119.922 -0.723 18733 4747 1 13 . 1 1 83 83 ASP HA H 83 4.399 4.399 4.386 0.013 18733 4748 1 13 . 1 1 83 83 ASP CA C 83 57.554 57.554 57.208 0.346 18733 4749 1 13 . 1 1 83 83 ASP CB C 83 42.088 42.088 41.039 1.049 18733 4750 1 13 . 1 1 84 84 TYR N N 84 117.904 117.904 114.421 3.483 18733 4751 1 13 . 1 1 84 84 TYR HA H 84 3.931 3.931 4.807 -0.876 18733 4752 1 13 . 1 1 84 84 TYR CA C 84 63.663 63.663 58.240 5.423 18733 4753 1 13 . 1 1 84 84 TYR CB C 84 39.134 39.134 37.804 1.330 18733 4754 1 13 . 1 1 85 85 ILE N N 85 116.362 116.362 120.485 -4.123 18733 4755 1 13 . 1 1 85 85 ILE HA H 85 3.752 3.752 3.715 0.037 18733 4756 1 13 . 1 1 85 85 ILE CA C 85 66.287 66.287 63.973 2.314 18733 4757 1 13 . 1 1 85 85 ILE CB C 85 38.815 38.815 37.837 0.978 18733 4758 1 13 . 1 1 86 86 GLU N N 86 117.696 117.696 120.099 -2.403 18733 4759 1 13 . 1 1 86 86 GLU HA H 86 3.896 3.896 4.052 -0.156 18733 4760 1 13 . 1 1 86 86 GLU CA C 86 59.290 59.290 59.332 -0.042 18733 4761 1 13 . 1 1 86 86 GLU CB C 86 29.660 29.660 29.169 0.491 18733 4762 1 13 . 1 1 87 87 ASN N N 87 113.943 113.943 117.681 -3.738 18733 4763 1 13 . 1 1 87 87 ASN HA H 87 4.933 4.933 4.790 0.143 18733 4764 1 13 . 1 1 87 87 ASN CA C 87 52.462 52.462 53.929 -1.467 18733 4765 1 13 . 1 1 87 87 ASN CB C 87 38.847 38.847 38.742 0.105 18733 4766 1 13 . 1 1 88 88 PHE N N 88 123.733 123.733 122.769 0.964 18733 4767 1 13 . 1 1 88 88 PHE HA H 88 4.141 4.141 4.420 -0.279 18733 4768 1 13 . 1 1 88 88 PHE CA C 88 63.888 63.888 62.201 1.687 18733 4769 1 13 . 1 1 88 88 PHE CB C 88 41.768 41.768 39.339 2.429 18733 4770 1 13 . 1 1 89 89 ASP N N 89 117.257 117.257 118.477 -1.220 18733 4771 1 13 . 1 1 89 89 ASP HA H 89 4.386 4.386 4.169 0.217 18733 4772 1 13 . 1 1 89 89 ASP CA C 89 57.468 57.468 57.903 -0.435 18733 4773 1 13 . 1 1 89 89 ASP CB C 89 39.886 39.886 40.127 -0.241 18733 4774 1 13 . 1 1 90 90 HIS N N 90 121.385 121.385 120.018 1.367 18733 4775 1 13 . 1 1 90 90 HIS HA H 90 4.294 4.294 4.214 0.080 18733 4776 1 13 . 1 1 90 90 HIS CA C 90 59.081 59.081 59.330 -0.249 18733 4777 1 13 . 1 1 90 90 HIS CB C 90 29.949 29.949 29.965 -0.016 18733 4778 1 13 . 1 1 91 91 TYR N N 91 118.440 118.440 118.595 -0.155 18733 4779 1 13 . 1 1 91 91 TYR HA H 91 4.192 4.192 4.428 -0.236 18733 4780 1 13 . 1 1 91 91 TYR CA C 91 59.618 59.618 61.188 -1.570 18733 4781 1 13 . 1 1 91 91 TYR CB C 91 36.860 36.860 38.062 -1.202 18733 4782 1 13 . 1 1 92 92 ARG N N 92 119.028 119.028 117.911 1.117 18733 4783 1 13 . 1 1 92 92 ARG HA H 92 4.023 4.023 4.264 -0.241 18733 4784 1 13 . 1 1 92 92 ARG CA C 92 57.308 57.308 57.171 0.137 18733 4785 1 13 . 1 1 92 92 ARG CB C 92 29.129 29.129 29.510 -0.381 18733 4786 1 13 . 1 1 93 93 ALA N N 93 120.513 120.513 118.154 2.359 18733 4787 1 13 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.293 -0.082 18733 4788 1 13 . 1 1 93 93 ALA CA C 93 53.603 53.603 53.212 0.391 18733 4789 1 13 . 1 1 93 93 ALA CB C 93 18.864 18.864 19.646 -0.782 18733 4790 1 13 . 1 1 94 94 THR N N 94 108.668 108.668 110.784 -2.116 18733 4791 1 13 . 1 1 94 94 THR HA H 94 4.249 4.249 4.049 0.200 18733 4792 1 13 . 1 1 94 94 THR CA C 94 62.170 62.170 63.848 -1.678 18733 4793 1 13 . 1 1 94 94 THR CB C 94 70.164 70.164 69.042 1.122 18733 4794 1 13 . 1 1 95 95 GLN N N 95 122.873 122.873 121.328 1.545 18733 4795 1 13 . 1 1 95 95 GLN HA H 95 4.288 4.288 4.455 -0.167 18733 4796 1 13 . 1 1 95 95 GLN CA C 95 56.073 56.073 55.077 0.996 18733 4797 1 13 . 1 1 95 95 GLN CB C 95 28.903 28.903 29.305 -0.402 18733 4798 1 14 . 1 1 2 2 ASN HA H 2 4.590 4.590 4.857 -0.267 18733 4799 1 14 . 1 1 2 2 ASN CA C 2 53.554 53.554 53.488 0.066 18733 4800 1 14 . 1 1 2 2 ASN CB C 2 38.650 38.650 39.113 -0.463 18733 4801 1 14 . 1 1 3 3 ASN HA H 3 4.526 4.526 4.949 -0.423 18733 4802 1 14 . 1 1 3 3 ASN CA C 3 53.720 53.720 52.944 0.776 18733 4803 1 14 . 1 1 3 3 ASN CB C 3 38.473 38.473 40.660 -2.188 18733 4804 1 14 . 1 1 4 4 GLU N N 4 121.638 121.638 122.861 -1.223 18733 4805 1 14 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.160 -0.074 18733 4806 1 14 . 1 1 4 4 GLU CA C 4 57.656 57.656 58.904 -1.248 18733 4807 1 14 . 1 1 4 4 GLU CB C 4 29.649 29.649 30.048 -0.399 18733 4808 1 14 . 1 1 5 5 ASN N N 5 118.543 118.543 115.645 2.898 18733 4809 1 14 . 1 1 5 5 ASN HA H 5 4.531 4.531 4.691 -0.160 18733 4810 1 14 . 1 1 5 5 ASN CA C 5 55.114 55.114 53.219 1.895 18733 4811 1 14 . 1 1 5 5 ASN CB C 5 38.417 38.417 38.726 -0.309 18733 4812 1 14 . 1 1 6 6 ALA N N 6 123.531 123.531 124.436 -0.905 18733 4813 1 14 . 1 1 6 6 ALA HA H 6 4.057 4.057 3.898 0.159 18733 4814 1 14 . 1 1 6 6 ALA CA C 6 55.266 55.266 50.825 4.441 18733 4815 1 14 . 1 1 6 6 ALA CB C 6 18.099 18.099 19.032 -0.933 18733 4816 1 14 . 1 1 7 7 PHE N N 7 119.588 119.588 117.916 1.672 18733 4817 1 14 . 1 1 7 7 PHE HA H 7 3.777 3.777 4.658 -0.881 18733 4818 1 14 . 1 1 7 7 PHE CA C 7 61.179 61.179 54.161 7.018 18733 4819 1 14 . 1 1 7 7 PHE CB C 7 38.947 38.947 35.916 3.031 18733 4820 1 14 . 1 1 8 8 TYR N N 8 116.300 116.300 122.852 -6.552 18733 4821 1 14 . 1 1 8 8 TYR HA H 8 4.007 4.007 4.121 -0.114 18733 4822 1 14 . 1 1 8 8 TYR CA C 8 61.117 61.117 62.648 -1.531 18733 4823 1 14 . 1 1 8 8 TYR CB C 8 37.370 37.370 36.987 0.383 18733 4824 1 14 . 1 1 9 9 ALA N N 9 124.516 124.516 117.405 7.111 18733 4825 1 14 . 1 1 9 9 ALA HA H 9 4.074 4.074 4.213 -0.139 18733 4826 1 14 . 1 1 9 9 ALA CA C 9 55.415 55.415 53.452 1.963 18733 4827 1 14 . 1 1 9 9 ALA CB C 9 17.797 17.797 18.618 -0.821 18733 4828 1 14 . 1 1 10 10 ARG N N 10 118.255 118.255 118.111 0.144 18733 4829 1 14 . 1 1 10 10 ARG HA H 10 3.857 3.857 4.272 -0.415 18733 4830 1 14 . 1 1 10 10 ARG CA C 10 60.070 60.070 58.067 2.003 18733 4831 1 14 . 1 1 10 10 ARG CB C 10 31.179 31.179 31.221 -0.042 18733 4832 1 14 . 1 1 11 11 ALA N N 11 119.258 119.258 122.432 -3.174 18733 4833 1 14 . 1 1 11 11 ALA HA H 11 4.079 4.079 4.075 0.003 18733 4834 1 14 . 1 1 11 11 ALA CA C 11 55.152 55.152 54.963 0.189 18733 4835 1 14 . 1 1 11 11 ALA CB C 11 19.072 19.072 17.927 1.145 18733 4836 1 14 . 1 1 12 12 THR N N 12 114.669 114.669 113.019 1.650 18733 4837 1 14 . 1 1 12 12 THR HA H 12 3.761 3.761 4.027 -0.266 18733 4838 1 14 . 1 1 12 12 THR CA C 12 67.028 67.028 66.090 0.938 18733 4839 1 14 . 1 1 12 12 THR CB C 12 68.661 68.661 68.645 0.016 18733 4840 1 14 . 1 1 13 13 GLU N N 13 120.838 120.838 120.799 0.039 18733 4841 1 14 . 1 1 13 13 GLU HA H 13 3.782 3.782 4.201 -0.419 18733 4842 1 14 . 1 1 13 13 GLU CA C 13 59.781 59.781 58.794 0.987 18733 4843 1 14 . 1 1 13 13 GLU CB C 13 29.713 29.713 29.601 0.112 18733 4844 1 14 . 1 1 14 14 LEU N N 14 119.831 119.831 120.884 -1.053 18733 4845 1 14 . 1 1 14 14 LEU HA H 14 3.616 3.616 4.160 -0.544 18733 4846 1 14 . 1 1 14 14 LEU CA C 14 58.363 58.363 57.898 0.465 18733 4847 1 14 . 1 1 14 14 LEU CB C 14 42.109 42.109 41.327 0.782 18733 4848 1 14 . 1 1 15 15 ILE N N 15 119.150 119.150 117.945 1.205 18733 4849 1 14 . 1 1 15 15 ILE HA H 15 3.376 3.376 3.483 -0.107 18733 4850 1 14 . 1 1 15 15 ILE CA C 15 66.274 66.274 65.099 1.175 18733 4851 1 14 . 1 1 15 15 ILE CB C 15 38.343 38.343 37.399 0.944 18733 4852 1 14 . 1 1 16 16 LYS N N 16 118.734 118.734 119.974 -1.240 18733 4853 1 14 . 1 1 16 16 LYS HA H 16 3.808 3.808 4.001 -0.193 18733 4854 1 14 . 1 1 16 16 LYS CA C 16 59.950 59.950 59.091 0.859 18733 4855 1 14 . 1 1 16 16 LYS CB C 16 32.109 32.109 32.094 0.015 18733 4856 1 14 . 1 1 17 17 LEU N N 17 121.376 121.376 119.632 1.744 18733 4857 1 14 . 1 1 17 17 LEU HA H 17 4.017 4.017 4.155 -0.138 18733 4858 1 14 . 1 1 17 17 LEU CA C 17 57.733 57.733 57.846 -0.113 18733 4859 1 14 . 1 1 17 17 LEU CB C 17 40.385 40.385 41.122 -0.737 18733 4860 1 14 . 1 1 18 18 ALA N N 18 123.298 123.298 121.403 1.895 18733 4861 1 14 . 1 1 18 18 ALA HA H 18 3.547 3.547 4.043 -0.496 18733 4862 1 14 . 1 1 18 18 ALA CA C 18 55.031 55.031 54.911 0.120 18733 4863 1 14 . 1 1 18 18 ALA CB C 18 17.716 17.716 18.367 -0.651 18733 4864 1 14 . 1 1 19 19 ASN N N 19 114.581 114.581 116.212 -1.631 18733 4865 1 14 . 1 1 19 19 ASN HA H 19 4.504 4.504 4.454 0.050 18733 4866 1 14 . 1 1 19 19 ASN CA C 19 55.633 55.633 56.177 -0.544 18733 4867 1 14 . 1 1 19 19 ASN CB C 19 37.683 37.683 38.486 -0.803 18733 4868 1 14 . 1 1 20 20 GLN N N 20 122.054 122.054 118.122 3.932 18733 4869 1 14 . 1 1 20 20 GLN HA H 20 3.959 3.959 4.325 -0.366 18733 4870 1 14 . 1 1 20 20 GLN CA C 20 58.913 58.913 57.267 1.646 18733 4871 1 14 . 1 1 20 20 GLN CB C 20 28.293 28.293 28.503 -0.210 18733 4872 1 14 . 1 1 21 21 GLN N N 21 120.962 120.962 118.340 2.622 18733 4873 1 14 . 1 1 21 21 GLN HA H 21 3.863 3.863 4.307 -0.444 18733 4874 1 14 . 1 1 21 21 GLN CA C 21 58.371 58.371 57.796 0.575 18733 4875 1 14 . 1 1 21 21 GLN CB C 21 27.603 27.603 29.689 -2.086 18733 4876 1 14 . 1 1 22 22 ASN N N 22 114.486 114.486 118.200 -3.714 18733 4877 1 14 . 1 1 22 22 ASN HA H 22 4.550 4.550 4.535 0.015 18733 4878 1 14 . 1 1 22 22 ASN CA C 22 53.545 53.545 54.254 -0.709 18733 4879 1 14 . 1 1 22 22 ASN CB C 22 39.752 39.752 38.903 0.849 18733 4880 1 14 . 1 1 23 23 GLN N N 23 117.002 117.002 115.159 1.843 18733 4881 1 14 . 1 1 23 23 GLN HA H 23 4.121 4.121 4.265 -0.144 18733 4882 1 14 . 1 1 23 23 GLN CA C 23 56.336 56.336 55.483 0.854 18733 4883 1 14 . 1 1 23 23 GLN CB C 23 28.367 28.367 28.370 -0.003 18733 4884 1 14 . 1 1 24 24 ASN N N 24 117.868 117.868 120.225 -2.357 18733 4885 1 14 . 1 1 24 24 ASN HA H 24 4.554 4.554 4.713 -0.159 18733 4886 1 14 . 1 1 24 24 ASN CA C 24 53.550 53.550 53.112 0.438 18733 4887 1 14 . 1 1 24 24 ASN CB C 24 38.856 38.856 38.808 0.048 18733 4888 1 14 . 1 1 25 25 THR N N 25 115.612 115.612 121.851 -6.239 18733 4889 1 14 . 1 1 25 25 THR HA H 25 4.193 4.193 4.059 0.134 18733 4890 1 14 . 1 1 25 25 THR CA C 25 63.026 63.026 64.918 -1.892 18733 4891 1 14 . 1 1 25 25 THR CB C 25 69.388 69.388 69.017 0.371 18733 4892 1 14 . 1 1 26 26 GLU N N 26 119.600 119.600 118.386 1.214 18733 4893 1 14 . 1 1 26 26 GLU HA H 26 4.213 4.213 4.261 -0.048 18733 4894 1 14 . 1 1 26 26 GLU CA C 26 56.803 56.803 56.702 0.101 18733 4895 1 14 . 1 1 26 26 GLU CB C 26 29.566 29.566 29.482 0.084 18733 4896 1 14 . 1 1 27 27 ILE N N 27 118.383 118.383 122.261 -3.878 18733 4897 1 14 . 1 1 27 27 ILE HA H 27 4.320 4.320 4.154 0.166 18733 4898 1 14 . 1 1 27 27 ILE CA C 27 59.638 59.638 60.779 -1.141 18733 4899 1 14 . 1 1 27 27 ILE CB C 27 39.531 39.531 38.890 0.641 18733 4900 1 14 . 1 1 28 28 GLN N N 28 122.321 122.321 122.878 -0.557 18733 4901 1 14 . 1 1 28 28 GLN HA H 28 4.593 4.593 4.478 0.115 18733 4902 1 14 . 1 1 28 28 GLN CA C 28 54.684 54.684 55.304 -0.620 18733 4903 1 14 . 1 1 28 28 GLN CB C 28 30.183 30.183 29.496 0.687 18733 4904 1 14 . 1 1 29 29 THR N N 29 119.517 119.517 116.994 2.523 18733 4905 1 14 . 1 1 29 29 THR HA H 29 3.916 3.916 4.112 -0.196 18733 4906 1 14 . 1 1 29 29 THR CA C 29 65.895 65.895 66.034 -0.139 18733 4907 1 14 . 1 1 29 29 THR CB C 29 68.708 68.708 68.641 0.067 18733 4908 1 14 . 1 1 30 30 GLY N N 30 109.285 109.285 109.643 -0.358 18733 4909 1 14 . 1 1 30 30 GLY CA C 30 47.126 47.126 46.894 0.232 18733 4910 1 14 . 1 1 31 31 GLU N N 31 120.940 120.940 121.084 -0.144 18733 4911 1 14 . 1 1 31 31 GLU HA H 31 4.259 4.259 4.223 0.036 18733 4912 1 14 . 1 1 31 31 GLU CA C 31 59.424 59.424 59.061 0.363 18733 4913 1 14 . 1 1 31 31 GLU CB C 31 29.410 29.410 29.448 -0.038 18733 4914 1 14 . 1 1 32 32 VAL N N 32 122.718 122.718 119.347 3.371 18733 4915 1 14 . 1 1 32 32 VAL HA H 32 3.568 3.568 4.038 -0.470 18733 4916 1 14 . 1 1 32 32 VAL CA C 32 66.122 66.122 64.812 1.310 18733 4917 1 14 . 1 1 32 32 VAL CB C 32 31.157 31.157 31.589 -0.432 18733 4918 1 14 . 1 1 33 33 SER N N 33 114.886 114.886 117.150 -2.264 18733 4919 1 14 . 1 1 33 33 SER HA H 33 4.112 4.112 4.186 -0.074 18733 4920 1 14 . 1 1 33 33 SER CA C 33 62.119 62.119 61.861 0.258 18733 4921 1 14 . 1 1 33 33 SER CB C 33 63.293 63.293 62.944 0.349 18733 4922 1 14 . 1 1 34 34 ALA N N 34 121.240 121.240 123.467 -2.227 18733 4923 1 14 . 1 1 34 34 ALA HA H 34 4.505 4.505 4.235 0.270 18733 4924 1 14 . 1 1 34 34 ALA CA C 34 55.790 55.790 54.840 0.950 18733 4925 1 14 . 1 1 34 34 ALA CB C 34 18.845 18.845 18.231 0.614 18733 4926 1 14 . 1 1 35 35 SER N N 35 111.131 111.131 116.027 -4.896 18733 4927 1 14 . 1 1 35 35 SER HA H 35 3.420 3.420 4.311 -0.891 18733 4928 1 14 . 1 1 35 35 SER CA C 35 61.316 61.316 62.283 -0.967 18733 4929 1 14 . 1 1 35 35 SER CB C 35 62.547 62.547 63.141 -0.594 18733 4930 1 14 . 1 1 36 36 PHE N N 36 127.676 127.676 122.755 4.921 18733 4931 1 14 . 1 1 36 36 PHE HA H 36 4.490 4.490 4.281 0.209 18733 4932 1 14 . 1 1 36 36 PHE CA C 36 57.592 57.592 61.391 -3.799 18733 4933 1 14 . 1 1 36 36 PHE CB C 36 38.111 38.111 39.345 -1.234 18733 4934 1 14 . 1 1 37 37 MET N N 37 119.851 119.851 120.217 -0.366 18733 4935 1 14 . 1 1 37 37 MET HA H 37 3.859 3.859 4.202 -0.343 18733 4936 1 14 . 1 1 37 37 MET CA C 37 59.444 59.444 58.350 1.094 18733 4937 1 14 . 1 1 37 37 MET CB C 37 33.517 33.517 32.389 1.128 18733 4938 1 14 . 1 1 38 38 TRP N N 38 121.153 121.153 120.840 0.313 18733 4939 1 14 . 1 1 38 38 TRP HA H 38 3.981 3.981 4.263 -0.282 18733 4940 1 14 . 1 1 38 38 TRP CA C 38 62.129 62.129 60.165 1.964 18733 4941 1 14 . 1 1 38 38 TRP CB C 38 29.930 29.930 29.751 0.179 18733 4942 1 14 . 1 1 39 39 ALA N N 39 119.518 119.518 122.420 -2.902 18733 4943 1 14 . 1 1 39 39 ALA HA H 39 3.880 3.880 3.758 0.122 18733 4944 1 14 . 1 1 39 39 ALA CA C 39 55.231 55.231 54.857 0.374 18733 4945 1 14 . 1 1 39 39 ALA CB C 39 20.477 20.477 17.737 2.740 18733 4946 1 14 . 1 1 40 40 LEU N N 40 116.794 116.794 119.847 -3.053 18733 4947 1 14 . 1 1 40 40 LEU HA H 40 2.741 2.741 3.947 -1.206 18733 4948 1 14 . 1 1 40 40 LEU CA C 40 56.979 56.979 57.016 -0.036 18733 4949 1 14 . 1 1 40 40 LEU CB C 40 40.563 40.563 41.324 -0.761 18733 4950 1 14 . 1 1 41 41 ALA N N 41 120.249 120.249 121.772 -1.523 18733 4951 1 14 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.862 -0.199 18733 4952 1 14 . 1 1 41 41 ALA CA C 41 54.943 54.943 55.012 -0.069 18733 4953 1 14 . 1 1 41 41 ALA CB C 41 17.512 17.512 18.006 -0.494 18733 4954 1 14 . 1 1 42 42 ARG N N 42 118.787 118.787 118.176 0.611 18733 4955 1 14 . 1 1 42 42 ARG HA H 42 3.315 3.315 3.864 -0.549 18733 4956 1 14 . 1 1 42 42 ARG CA C 42 60.027 60.027 58.928 1.099 18733 4957 1 14 . 1 1 42 42 ARG CB C 42 29.084 29.084 30.148 -1.064 18733 4958 1 14 . 1 1 43 43 TYR N N 43 122.429 122.429 120.141 2.288 18733 4959 1 14 . 1 1 43 43 TYR HA H 43 3.956 3.956 4.251 -0.295 18733 4960 1 14 . 1 1 43 43 TYR CA C 43 63.225 63.225 61.400 1.825 18733 4961 1 14 . 1 1 43 43 TYR CB C 43 39.819 39.819 38.568 1.251 18733 4962 1 14 . 1 1 44 44 ASN N N 44 116.736 116.736 117.007 -0.271 18733 4963 1 14 . 1 1 44 44 ASN HA H 44 4.170 4.170 4.522 -0.352 18733 4964 1 14 . 1 1 44 44 ASN CA C 44 56.267 56.267 55.617 0.650 18733 4965 1 14 . 1 1 44 44 ASN CB C 44 37.894 37.894 38.784 -0.890 18733 4966 1 14 . 1 1 45 45 ALA N N 45 124.950 124.950 122.656 2.294 18733 4967 1 14 . 1 1 45 45 ALA HA H 45 3.862 3.862 4.207 -0.345 18733 4968 1 14 . 1 1 45 45 ALA CA C 45 55.465 55.465 54.439 1.026 18733 4969 1 14 . 1 1 45 45 ALA CB C 45 18.587 18.587 18.063 0.524 18733 4970 1 14 . 1 1 46 46 TRP N N 46 119.686 119.686 122.346 -2.660 18733 4971 1 14 . 1 1 46 46 TRP HA H 46 2.849 2.849 4.249 -1.400 18733 4972 1 14 . 1 1 46 46 TRP CA C 46 60.783 60.783 59.132 1.651 18733 4973 1 14 . 1 1 46 46 TRP CB C 46 26.470 26.470 28.342 -1.872 18733 4974 1 14 . 1 1 47 47 PHE N N 47 121.090 121.090 116.387 4.703 18733 4975 1 14 . 1 1 47 47 PHE HA H 47 2.939 2.939 4.252 -1.313 18733 4976 1 14 . 1 1 47 47 PHE CA C 47 59.116 59.116 59.735 -0.619 18733 4977 1 14 . 1 1 47 47 PHE CB C 47 38.212 38.212 38.737 -0.525 18733 4978 1 14 . 1 1 48 48 GLY N N 48 109.386 109.386 107.541 1.845 18733 4979 1 14 . 1 1 48 48 GLY CA C 48 47.209 47.209 46.858 0.351 18733 4980 1 14 . 1 1 49 49 SER N N 49 118.098 118.098 116.041 2.057 18733 4981 1 14 . 1 1 49 49 SER CA C 49 62.016 62.016 61.061 0.955 18733 4982 1 14 . 1 1 49 49 SER CB C 49 63.411 63.411 63.391 0.020 18733 4983 1 14 . 1 1 50 50 THR N N 50 110.801 110.801 114.620 -3.819 18733 4984 1 14 . 1 1 50 50 THR HA H 50 3.851 3.851 4.479 -0.628 18733 4985 1 14 . 1 1 50 50 THR CA C 50 63.914 63.914 61.389 2.525 18733 4986 1 14 . 1 1 50 50 THR CB C 50 69.676 69.676 68.362 1.314 18733 4987 1 14 . 1 1 51 51 SER N N 51 115.249 115.249 116.987 -1.738 18733 4988 1 14 . 1 1 51 51 SER HA H 51 3.990 3.990 4.390 -0.400 18733 4989 1 14 . 1 1 51 51 SER CA C 51 59.360 59.360 60.905 -1.545 18733 4990 1 14 . 1 1 51 51 SER CB C 51 63.142 63.142 63.922 -0.780 18733 4991 1 14 . 1 1 52 52 PHE N N 52 118.004 118.004 118.375 -0.371 18733 4992 1 14 . 1 1 52 52 PHE HA H 52 4.861 4.861 4.699 0.162 18733 4993 1 14 . 1 1 52 52 PHE CA C 52 57.045 57.045 56.701 0.344 18733 4994 1 14 . 1 1 52 52 PHE CB C 52 42.165 42.165 41.978 0.187 18733 4995 1 14 . 1 1 53 53 GLU N N 53 119.224 119.224 118.002 1.222 18733 4996 1 14 . 1 1 53 53 GLU HA H 53 4.415 4.415 4.465 -0.050 18733 4997 1 14 . 1 1 53 53 GLU CA C 53 57.653 57.653 56.764 0.889 18733 4998 1 14 . 1 1 53 53 GLU CB C 53 31.679 31.679 30.654 1.025 18733 4999 1 14 . 1 1 54 54 THR N N 54 105.230 105.230 111.464 -6.234 18733 5000 1 14 . 1 1 54 54 THR HA H 54 4.529 4.529 4.640 -0.111 18733 5001 1 14 . 1 1 54 54 THR CA C 54 58.360 58.360 59.533 -1.173 18733 5002 1 14 . 1 1 54 54 THR CB C 54 73.366 73.366 72.589 0.777 18733 5003 1 14 . 1 1 55 55 LYS N N 55 122.509 122.509 121.870 0.639 18733 5004 1 14 . 1 1 55 55 LYS HA H 55 2.752 2.752 4.033 -1.281 18733 5005 1 14 . 1 1 55 55 LYS CA C 55 58.567 58.567 58.951 -0.384 18733 5006 1 14 . 1 1 55 55 LYS CB C 55 32.829 32.829 31.968 0.861 18733 5007 1 14 . 1 1 56 56 GLU N N 56 117.867 117.867 119.358 -1.491 18733 5008 1 14 . 1 1 56 56 GLU HA H 56 3.785 3.785 4.022 -0.237 18733 5009 1 14 . 1 1 56 56 GLU CA C 56 60.334 60.334 59.945 0.389 18733 5010 1 14 . 1 1 56 56 GLU CB C 56 28.185 28.185 28.909 -0.724 18733 5011 1 14 . 1 1 57 57 GLN N N 57 119.487 119.487 117.906 1.581 18733 5012 1 14 . 1 1 57 57 GLN HA H 57 3.788 3.788 3.868 -0.080 18733 5013 1 14 . 1 1 57 57 GLN CA C 57 58.056 58.056 57.440 0.616 18733 5014 1 14 . 1 1 57 57 GLN CB C 57 28.577 28.577 28.471 0.106 18733 5015 1 14 . 1 1 58 58 MET N N 58 118.284 118.284 119.642 -1.358 18733 5016 1 14 . 1 1 58 58 MET HA H 58 2.029 2.029 4.091 -2.062 18733 5017 1 14 . 1 1 58 58 MET CA C 58 58.862 58.862 59.062 -0.200 18733 5018 1 14 . 1 1 58 58 MET CB C 58 30.814 30.814 32.768 -1.954 18733 5019 1 14 . 1 1 59 59 GLN N N 59 116.663 116.663 119.368 -2.705 18733 5020 1 14 . 1 1 59 59 GLN HA H 59 3.578 3.578 4.098 -0.520 18733 5021 1 14 . 1 1 59 59 GLN CA C 59 59.361 59.361 58.768 0.593 18733 5022 1 14 . 1 1 59 59 GLN CB C 59 28.975 28.975 28.685 0.290 18733 5023 1 14 . 1 1 60 60 ALA N N 60 119.084 119.084 120.338 -1.254 18733 5024 1 14 . 1 1 60 60 ALA HA H 60 4.028 4.028 4.246 -0.218 18733 5025 1 14 . 1 1 60 60 ALA CA C 60 54.245 54.245 53.934 0.311 18733 5026 1 14 . 1 1 60 60 ALA CB C 60 18.161 18.161 18.567 -0.406 18733 5027 1 14 . 1 1 61 61 LYS N N 61 115.215 115.215 117.146 -1.931 18733 5028 1 14 . 1 1 61 61 LYS HA H 61 4.517 4.517 4.625 -0.107 18733 5029 1 14 . 1 1 61 61 LYS CA C 61 54.188 54.188 55.060 -0.872 18733 5030 1 14 . 1 1 61 61 LYS CB C 61 33.239 33.239 32.228 1.011 18733 5031 1 14 . 1 1 62 62 LYS N N 62 122.199 122.199 119.751 2.448 18733 5032 1 14 . 1 1 62 62 LYS HA H 62 3.582 3.582 3.945 -0.363 18733 5033 1 14 . 1 1 62 62 LYS CA C 62 61.271 61.271 60.038 1.233 18733 5034 1 14 . 1 1 62 62 LYS CB C 62 33.052 33.052 31.587 1.464 18733 5035 1 14 . 1 1 63 63 GLN N N 63 117.101 117.101 117.972 -0.871 18733 5036 1 14 . 1 1 63 63 GLN HA H 63 3.767 3.767 4.067 -0.300 18733 5037 1 14 . 1 1 63 63 GLN CA C 63 58.948 58.948 58.532 0.416 18733 5038 1 14 . 1 1 63 63 GLN CB C 63 27.823 27.823 27.867 -0.044 18733 5039 1 14 . 1 1 64 64 GLU N N 64 119.459 119.459 119.353 0.106 18733 5040 1 14 . 1 1 64 64 GLU HA H 64 4.035 4.035 4.055 -0.020 18733 5041 1 14 . 1 1 64 64 GLU CA C 64 59.672 59.672 59.236 0.436 18733 5042 1 14 . 1 1 64 64 GLU CB C 64 29.755 29.755 28.941 0.814 18733 5043 1 14 . 1 1 65 65 MET N N 65 118.493 118.493 113.858 4.635 18733 5044 1 14 . 1 1 65 65 MET HA H 65 4.077 4.077 4.443 -0.366 18733 5045 1 14 . 1 1 65 65 MET CA C 65 59.488 59.488 57.753 1.735 18733 5046 1 14 . 1 1 65 65 MET CB C 65 34.335 34.335 33.028 1.307 18733 5047 1 14 . 1 1 66 66 MET N N 66 117.848 117.848 118.765 -0.917 18733 5048 1 14 . 1 1 66 66 MET HA H 66 4.127 4.127 3.946 0.181 18733 5049 1 14 . 1 1 66 66 MET CA C 66 59.790 59.790 58.400 1.390 18733 5050 1 14 . 1 1 66 66 MET CB C 66 31.196 31.196 32.387 -1.191 18733 5051 1 14 . 1 1 67 67 ASP N N 67 118.987 118.987 119.642 -0.655 18733 5052 1 14 . 1 1 67 67 ASP HA H 67 4.283 4.283 4.371 -0.088 18733 5053 1 14 . 1 1 67 67 ASP CA C 67 57.892 57.892 57.185 0.707 18733 5054 1 14 . 1 1 67 67 ASP CB C 67 39.885 39.885 41.310 -1.425 18733 5055 1 14 . 1 1 68 68 TYR N N 68 119.790 119.790 114.026 5.764 18733 5056 1 14 . 1 1 68 68 TYR HA H 68 4.118 4.118 4.745 -0.627 18733 5057 1 14 . 1 1 68 68 TYR CA C 68 61.588 61.588 56.812 4.776 18733 5058 1 14 . 1 1 68 68 TYR CB C 68 37.806 37.806 38.541 -0.735 18733 5059 1 14 . 1 1 69 69 TYR N N 69 118.552 118.552 119.060 -0.508 18733 5060 1 14 . 1 1 69 69 TYR HA H 69 4.057 4.057 3.868 0.189 18733 5061 1 14 . 1 1 69 69 TYR CA C 69 62.536 62.536 59.196 3.341 18733 5062 1 14 . 1 1 69 69 TYR CB C 69 37.582 37.582 38.046 -0.464 18733 5063 1 14 . 1 1 70 70 MET N N 70 117.939 117.939 116.617 1.322 18733 5064 1 14 . 1 1 70 70 MET HA H 70 4.489 4.489 4.154 0.335 18733 5065 1 14 . 1 1 70 70 MET CA C 70 58.947 58.947 58.376 0.571 18733 5066 1 14 . 1 1 70 70 MET CB C 70 31.380 31.380 32.555 -1.175 18733 5067 1 14 . 1 1 71 71 ASP N N 71 120.118 120.118 118.474 1.644 18733 5068 1 14 . 1 1 71 71 ASP HA H 71 4.390 4.390 4.768 -0.378 18733 5069 1 14 . 1 1 71 71 ASP CA C 71 57.730 57.730 54.633 3.097 18733 5070 1 14 . 1 1 71 71 ASP CB C 71 40.050 40.050 39.475 0.575 18733 5071 1 14 . 1 1 72 72 ARG N N 72 118.091 118.091 120.882 -2.791 18733 5072 1 14 . 1 1 72 72 ARG HA H 72 4.107 4.107 4.569 -0.462 18733 5073 1 14 . 1 1 72 72 ARG CA C 72 58.260 58.260 56.561 1.699 18733 5074 1 14 . 1 1 72 72 ARG CB C 72 31.091 31.091 32.256 -1.165 18733 5075 1 14 . 1 1 73 73 TYR N N 73 121.878 121.878 118.377 3.501 18733 5076 1 14 . 1 1 73 73 TYR HA H 73 4.178 4.178 4.857 -0.679 18733 5077 1 14 . 1 1 73 73 TYR CA C 73 61.440 61.440 55.601 5.839 18733 5078 1 14 . 1 1 73 73 TYR CB C 73 38.677 38.677 38.313 0.364 18733 5079 1 14 . 1 1 74 74 LYS N N 74 119.791 119.791 121.105 -1.314 18733 5080 1 14 . 1 1 74 74 LYS HA H 74 3.564 3.564 3.764 -0.200 18733 5081 1 14 . 1 1 74 74 LYS CA C 74 60.621 60.621 59.214 1.407 18733 5082 1 14 . 1 1 74 74 LYS CB C 74 32.225 32.225 31.651 0.573 18733 5083 1 14 . 1 1 75 75 GLU N N 75 116.140 116.140 121.156 -5.016 18733 5084 1 14 . 1 1 75 75 GLU HA H 75 4.004 4.004 4.102 -0.098 18733 5085 1 14 . 1 1 75 75 GLU CA C 75 59.293 59.293 58.877 0.416 18733 5086 1 14 . 1 1 75 75 GLU CB C 75 29.627 29.627 28.352 1.275 18733 5087 1 14 . 1 1 76 76 MET N N 76 119.200 119.200 117.170 2.030 18733 5088 1 14 . 1 1 76 76 MET HA H 76 4.250 4.250 4.421 -0.171 18733 5089 1 14 . 1 1 76 76 MET CA C 76 60.058 60.058 57.170 2.888 18733 5090 1 14 . 1 1 76 76 MET CB C 76 32.751 32.751 32.608 0.143 18733 5091 1 14 . 1 1 77 77 LEU N N 77 125.191 125.191 121.480 3.711 18733 5092 1 14 . 1 1 77 77 LEU HA H 77 3.703 3.703 4.064 -0.361 18733 5093 1 14 . 1 1 77 77 LEU CA C 77 58.589 58.589 57.294 1.296 18733 5094 1 14 . 1 1 77 77 LEU CB C 77 41.650 41.650 42.125 -0.475 18733 5095 1 14 . 1 1 78 78 ASP N N 78 119.843 119.843 119.622 0.221 18733 5096 1 14 . 1 1 78 78 ASP HA H 78 4.177 4.177 4.259 -0.082 18733 5097 1 14 . 1 1 78 78 ASP CA C 78 58.584 58.584 57.747 0.837 18733 5098 1 14 . 1 1 78 78 ASP CB C 78 42.352 42.352 41.028 1.324 18733 5099 1 14 . 1 1 79 79 ALA N N 79 117.168 117.168 120.339 -3.171 18733 5100 1 14 . 1 1 79 79 ALA HA H 79 4.077 4.077 4.079 -0.002 18733 5101 1 14 . 1 1 79 79 ALA CA C 79 55.317 55.317 54.697 0.620 18733 5102 1 14 . 1 1 79 79 ALA CB C 79 18.335 18.335 18.635 -0.300 18733 5103 1 14 . 1 1 80 80 ASN N N 80 115.882 115.882 116.062 -0.180 18733 5104 1 14 . 1 1 80 80 ASN HA H 80 4.416 4.416 4.634 -0.218 18733 5105 1 14 . 1 1 80 80 ASN CA C 80 57.791 57.791 55.446 2.345 18733 5106 1 14 . 1 1 80 80 ASN CB C 80 40.251 40.251 38.596 1.655 18733 5107 1 14 . 1 1 81 81 MET N N 81 120.945 120.945 119.700 1.245 18733 5108 1 14 . 1 1 81 81 MET HA H 81 4.129 4.129 4.340 -0.211 18733 5109 1 14 . 1 1 81 81 MET CA C 81 58.954 58.954 57.859 1.095 18733 5110 1 14 . 1 1 81 81 MET CB C 81 31.937 31.937 31.758 0.179 18733 5111 1 14 . 1 1 82 82 GLU N N 82 116.578 116.578 119.209 -2.631 18733 5112 1 14 . 1 1 82 82 GLU HA H 82 3.979 3.979 3.969 0.010 18733 5113 1 14 . 1 1 82 82 GLU CA C 82 59.214 59.214 59.110 0.104 18733 5114 1 14 . 1 1 82 82 GLU CB C 82 29.207 29.207 28.932 0.275 18733 5115 1 14 . 1 1 83 83 ASP N N 83 119.199 119.199 118.857 0.342 18733 5116 1 14 . 1 1 83 83 ASP HA H 83 4.399 4.399 4.309 0.090 18733 5117 1 14 . 1 1 83 83 ASP CA C 83 57.554 57.554 56.831 0.723 18733 5118 1 14 . 1 1 83 83 ASP CB C 83 42.088 42.088 40.567 1.521 18733 5119 1 14 . 1 1 84 84 TYR N N 84 117.904 117.904 115.765 2.139 18733 5120 1 14 . 1 1 84 84 TYR HA H 84 3.931 3.931 4.624 -0.693 18733 5121 1 14 . 1 1 84 84 TYR CA C 84 63.663 63.663 59.802 3.861 18733 5122 1 14 . 1 1 84 84 TYR CB C 84 39.134 39.134 39.453 -0.320 18733 5123 1 14 . 1 1 85 85 ILE N N 85 116.362 116.362 119.917 -3.555 18733 5124 1 14 . 1 1 85 85 ILE HA H 85 3.752 3.752 3.692 0.060 18733 5125 1 14 . 1 1 85 85 ILE CA C 85 66.287 66.287 65.263 1.024 18733 5126 1 14 . 1 1 85 85 ILE CB C 85 38.815 38.815 38.149 0.666 18733 5127 1 14 . 1 1 86 86 GLU N N 86 117.696 117.696 119.426 -1.730 18733 5128 1 14 . 1 1 86 86 GLU HA H 86 3.896 3.896 4.133 -0.237 18733 5129 1 14 . 1 1 86 86 GLU CA C 86 59.290 59.290 59.152 0.138 18733 5130 1 14 . 1 1 86 86 GLU CB C 86 29.660 29.660 29.207 0.453 18733 5131 1 14 . 1 1 87 87 ASN N N 87 113.943 113.943 117.609 -3.666 18733 5132 1 14 . 1 1 87 87 ASN HA H 87 4.933 4.933 4.901 0.032 18733 5133 1 14 . 1 1 87 87 ASN CA C 87 52.462 52.462 53.664 -1.202 18733 5134 1 14 . 1 1 87 87 ASN CB C 87 38.847 38.847 38.783 0.064 18733 5135 1 14 . 1 1 88 88 PHE N N 88 123.733 123.733 122.890 0.843 18733 5136 1 14 . 1 1 88 88 PHE HA H 88 4.141 4.141 4.387 -0.246 18733 5137 1 14 . 1 1 88 88 PHE CA C 88 63.888 63.888 62.428 1.460 18733 5138 1 14 . 1 1 88 88 PHE CB C 88 41.768 41.768 39.100 2.668 18733 5139 1 14 . 1 1 89 89 ASP N N 89 117.257 117.257 117.742 -0.485 18733 5140 1 14 . 1 1 89 89 ASP HA H 89 4.386 4.386 4.034 0.352 18733 5141 1 14 . 1 1 89 89 ASP CA C 89 57.468 57.468 57.136 0.332 18733 5142 1 14 . 1 1 89 89 ASP CB C 89 39.886 39.886 40.498 -0.612 18733 5143 1 14 . 1 1 90 90 HIS N N 90 121.385 121.385 118.407 2.978 18733 5144 1 14 . 1 1 90 90 HIS HA H 90 4.294 4.294 4.300 -0.006 18733 5145 1 14 . 1 1 90 90 HIS CA C 90 59.081 59.081 59.208 -0.127 18733 5146 1 14 . 1 1 90 90 HIS CB C 90 29.949 29.949 30.430 -0.481 18733 5147 1 14 . 1 1 91 91 TYR N N 91 118.440 118.440 119.765 -1.325 18733 5148 1 14 . 1 1 91 91 TYR HA H 91 4.192 4.192 4.541 -0.349 18733 5149 1 14 . 1 1 91 91 TYR CA C 91 59.618 59.618 61.590 -1.972 18733 5150 1 14 . 1 1 91 91 TYR CB C 91 36.860 36.860 38.502 -1.642 18733 5151 1 14 . 1 1 92 92 ARG N N 92 119.028 119.028 119.546 -0.518 18733 5152 1 14 . 1 1 92 92 ARG HA H 92 4.023 4.023 4.317 -0.294 18733 5153 1 14 . 1 1 92 92 ARG CA C 92 57.308 57.308 56.388 0.920 18733 5154 1 14 . 1 1 92 92 ARG CB C 92 29.129 29.129 29.270 -0.141 18733 5155 1 14 . 1 1 93 93 ALA N N 93 120.513 120.513 118.716 1.797 18733 5156 1 14 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.481 -0.270 18733 5157 1 14 . 1 1 93 93 ALA CA C 93 53.603 53.603 53.804 -0.201 18733 5158 1 14 . 1 1 93 93 ALA CB C 93 18.864 18.864 19.402 -0.538 18733 5159 1 14 . 1 1 94 94 THR N N 94 108.668 108.668 109.506 -0.838 18733 5160 1 14 . 1 1 94 94 THR HA H 94 4.249 4.249 4.244 0.005 18733 5161 1 14 . 1 1 94 94 THR CA C 94 62.170 62.170 62.612 -0.442 18733 5162 1 14 . 1 1 94 94 THR CB C 94 70.164 70.164 69.731 0.433 18733 5163 1 14 . 1 1 95 95 GLN N N 95 122.873 122.873 121.276 1.597 18733 5164 1 14 . 1 1 95 95 GLN HA H 95 4.288 4.288 4.630 -0.342 18733 5165 1 14 . 1 1 95 95 GLN CA C 95 56.073 56.073 54.913 1.160 18733 5166 1 14 . 1 1 95 95 GLN CB C 95 28.903 28.903 31.189 -2.285 18733 5167 1 15 . 1 1 2 2 ASN HA H 2 4.590 4.590 4.796 -0.206 18733 5168 1 15 . 1 1 2 2 ASN CA C 2 53.554 53.554 53.585 -0.031 18733 5169 1 15 . 1 1 2 2 ASN CB C 2 38.650 38.650 39.169 -0.519 18733 5170 1 15 . 1 1 3 3 ASN HA H 3 4.526 4.526 4.969 -0.443 18733 5171 1 15 . 1 1 3 3 ASN CA C 3 53.720 53.720 52.972 0.748 18733 5172 1 15 . 1 1 3 3 ASN CB C 3 38.473 38.473 40.460 -1.987 18733 5173 1 15 . 1 1 4 4 GLU N N 4 121.638 121.638 125.724 -4.086 18733 5174 1 15 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.244 -0.158 18733 5175 1 15 . 1 1 4 4 GLU CA C 4 57.656 57.656 58.865 -1.209 18733 5176 1 15 . 1 1 4 4 GLU CB C 4 29.649 29.649 29.748 -0.099 18733 5177 1 15 . 1 1 5 5 ASN N N 5 118.543 118.543 116.957 1.586 18733 5178 1 15 . 1 1 5 5 ASN HA H 5 4.531 4.531 4.699 -0.168 18733 5179 1 15 . 1 1 5 5 ASN CA C 5 55.114 55.114 53.095 2.019 18733 5180 1 15 . 1 1 5 5 ASN CB C 5 38.417 38.417 38.879 -0.462 18733 5181 1 15 . 1 1 6 6 ALA N N 6 123.531 123.531 122.779 0.752 18733 5182 1 15 . 1 1 6 6 ALA HA H 6 4.057 4.057 4.046 0.011 18733 5183 1 15 . 1 1 6 6 ALA CA C 6 55.266 55.266 50.859 4.407 18733 5184 1 15 . 1 1 6 6 ALA CB C 6 18.099 18.099 19.057 -0.958 18733 5185 1 15 . 1 1 7 7 PHE N N 7 119.588 119.588 118.341 1.247 18733 5186 1 15 . 1 1 7 7 PHE HA H 7 3.777 3.777 4.759 -0.982 18733 5187 1 15 . 1 1 7 7 PHE CA C 7 61.179 61.179 54.073 7.106 18733 5188 1 15 . 1 1 7 7 PHE CB C 7 38.947 38.947 36.092 2.855 18733 5189 1 15 . 1 1 8 8 TYR N N 8 116.300 116.300 123.172 -6.872 18733 5190 1 15 . 1 1 8 8 TYR HA H 8 4.007 4.007 4.121 -0.114 18733 5191 1 15 . 1 1 8 8 TYR CA C 8 61.117 61.117 62.857 -1.740 18733 5192 1 15 . 1 1 8 8 TYR CB C 8 37.370 37.370 37.214 0.156 18733 5193 1 15 . 1 1 9 9 ALA N N 9 124.516 124.516 117.347 7.169 18733 5194 1 15 . 1 1 9 9 ALA HA H 9 4.074 4.074 4.221 -0.147 18733 5195 1 15 . 1 1 9 9 ALA CA C 9 55.415 55.415 53.720 1.695 18733 5196 1 15 . 1 1 9 9 ALA CB C 9 17.797 17.797 18.327 -0.530 18733 5197 1 15 . 1 1 10 10 ARG N N 10 118.255 118.255 118.806 -0.551 18733 5198 1 15 . 1 1 10 10 ARG HA H 10 3.857 3.857 4.431 -0.574 18733 5199 1 15 . 1 1 10 10 ARG CA C 10 60.070 60.070 57.089 2.981 18733 5200 1 15 . 1 1 10 10 ARG CB C 10 31.179 31.179 30.586 0.593 18733 5201 1 15 . 1 1 11 11 ALA N N 11 119.258 119.258 122.746 -3.488 18733 5202 1 15 . 1 1 11 11 ALA HA H 11 4.079 4.079 4.095 -0.016 18733 5203 1 15 . 1 1 11 11 ALA CA C 11 55.152 55.152 55.069 0.083 18733 5204 1 15 . 1 1 11 11 ALA CB C 11 19.072 19.072 17.889 1.183 18733 5205 1 15 . 1 1 12 12 THR N N 12 114.669 114.669 112.869 1.800 18733 5206 1 15 . 1 1 12 12 THR HA H 12 3.761 3.761 4.108 -0.347 18733 5207 1 15 . 1 1 12 12 THR CA C 12 67.028 67.028 65.651 1.377 18733 5208 1 15 . 1 1 12 12 THR CB C 12 68.661 68.661 68.654 0.007 18733 5209 1 15 . 1 1 13 13 GLU N N 13 120.838 120.838 120.888 -0.050 18733 5210 1 15 . 1 1 13 13 GLU HA H 13 3.782 3.782 4.204 -0.422 18733 5211 1 15 . 1 1 13 13 GLU CA C 13 59.781 59.781 58.655 1.126 18733 5212 1 15 . 1 1 13 13 GLU CB C 13 29.713 29.713 29.447 0.266 18733 5213 1 15 . 1 1 14 14 LEU N N 14 119.831 119.831 120.409 -0.578 18733 5214 1 15 . 1 1 14 14 LEU HA H 14 3.616 3.616 4.175 -0.559 18733 5215 1 15 . 1 1 14 14 LEU CA C 14 58.363 58.363 57.795 0.568 18733 5216 1 15 . 1 1 14 14 LEU CB C 14 42.109 42.109 41.452 0.658 18733 5217 1 15 . 1 1 15 15 ILE N N 15 119.150 119.150 117.850 1.300 18733 5218 1 15 . 1 1 15 15 ILE HA H 15 3.376 3.376 3.564 -0.188 18733 5219 1 15 . 1 1 15 15 ILE CA C 15 66.274 66.274 64.727 1.547 18733 5220 1 15 . 1 1 15 15 ILE CB C 15 38.343 38.343 37.344 0.999 18733 5221 1 15 . 1 1 16 16 LYS N N 16 118.734 118.734 119.536 -0.802 18733 5222 1 15 . 1 1 16 16 LYS HA H 16 3.808 3.808 4.019 -0.211 18733 5223 1 15 . 1 1 16 16 LYS CA C 16 59.950 59.950 58.590 1.360 18733 5224 1 15 . 1 1 16 16 LYS CB C 16 32.109 32.109 31.648 0.461 18733 5225 1 15 . 1 1 17 17 LEU N N 17 121.376 121.376 119.489 1.887 18733 5226 1 15 . 1 1 17 17 LEU HA H 17 4.017 4.017 4.157 -0.140 18733 5227 1 15 . 1 1 17 17 LEU CA C 17 57.733 57.733 57.856 -0.123 18733 5228 1 15 . 1 1 17 17 LEU CB C 17 40.385 40.385 41.126 -0.741 18733 5229 1 15 . 1 1 18 18 ALA N N 18 123.298 123.298 120.979 2.319 18733 5230 1 15 . 1 1 18 18 ALA HA H 18 3.547 3.547 4.138 -0.591 18733 5231 1 15 . 1 1 18 18 ALA CA C 18 55.031 55.031 54.924 0.107 18733 5232 1 15 . 1 1 18 18 ALA CB C 18 17.716 17.716 18.635 -0.919 18733 5233 1 15 . 1 1 19 19 ASN N N 19 114.581 114.581 115.778 -1.197 18733 5234 1 15 . 1 1 19 19 ASN HA H 19 4.504 4.504 4.562 -0.058 18733 5235 1 15 . 1 1 19 19 ASN CA C 19 55.633 55.633 55.169 0.464 18733 5236 1 15 . 1 1 19 19 ASN CB C 19 37.683 37.683 38.250 -0.567 18733 5237 1 15 . 1 1 20 20 GLN N N 20 122.054 122.054 118.875 3.179 18733 5238 1 15 . 1 1 20 20 GLN HA H 20 3.959 3.959 4.331 -0.372 18733 5239 1 15 . 1 1 20 20 GLN CA C 20 58.913 58.913 58.402 0.511 18733 5240 1 15 . 1 1 20 20 GLN CB C 20 28.293 28.293 28.832 -0.539 18733 5241 1 15 . 1 1 21 21 GLN N N 21 120.962 120.962 118.474 2.488 18733 5242 1 15 . 1 1 21 21 GLN HA H 21 3.863 3.863 4.122 -0.259 18733 5243 1 15 . 1 1 21 21 GLN CA C 21 58.371 58.371 58.428 -0.057 18733 5244 1 15 . 1 1 21 21 GLN CB C 21 27.603 27.603 28.095 -0.492 18733 5245 1 15 . 1 1 22 22 ASN N N 22 114.486 114.486 116.836 -2.350 18733 5246 1 15 . 1 1 22 22 ASN HA H 22 4.550 4.550 4.521 0.029 18733 5247 1 15 . 1 1 22 22 ASN CA C 22 53.545 53.545 54.320 -0.775 18733 5248 1 15 . 1 1 22 22 ASN CB C 22 39.752 39.752 38.608 1.144 18733 5249 1 15 . 1 1 23 23 GLN N N 23 117.002 117.002 116.369 0.633 18733 5250 1 15 . 1 1 23 23 GLN HA H 23 4.121 4.121 4.331 -0.210 18733 5251 1 15 . 1 1 23 23 GLN CA C 23 56.336 56.336 55.088 1.248 18733 5252 1 15 . 1 1 23 23 GLN CB C 23 28.367 28.367 28.631 -0.264 18733 5253 1 15 . 1 1 24 24 ASN N N 24 117.868 117.868 120.453 -2.585 18733 5254 1 15 . 1 1 24 24 ASN HA H 24 4.554 4.554 4.698 -0.144 18733 5255 1 15 . 1 1 24 24 ASN CA C 24 53.550 53.550 53.564 -0.014 18733 5256 1 15 . 1 1 24 24 ASN CB C 24 38.856 38.856 39.095 -0.239 18733 5257 1 15 . 1 1 25 25 THR N N 25 115.612 115.612 120.925 -5.313 18733 5258 1 15 . 1 1 25 25 THR HA H 25 4.193 4.193 4.018 0.175 18733 5259 1 15 . 1 1 25 25 THR CA C 25 63.026 63.026 65.095 -2.069 18733 5260 1 15 . 1 1 25 25 THR CB C 25 69.388 69.388 69.010 0.378 18733 5261 1 15 . 1 1 26 26 GLU N N 26 119.600 119.600 117.922 1.678 18733 5262 1 15 . 1 1 26 26 GLU HA H 26 4.213 4.213 4.378 -0.165 18733 5263 1 15 . 1 1 26 26 GLU CA C 26 56.803 56.803 55.966 0.837 18733 5264 1 15 . 1 1 26 26 GLU CB C 26 29.566 29.566 29.686 -0.120 18733 5265 1 15 . 1 1 27 27 ILE N N 27 118.383 118.383 121.112 -2.729 18733 5266 1 15 . 1 1 27 27 ILE HA H 27 4.320 4.320 4.135 0.185 18733 5267 1 15 . 1 1 27 27 ILE CA C 27 59.638 59.638 60.615 -0.977 18733 5268 1 15 . 1 1 27 27 ILE CB C 27 39.531 39.531 39.581 -0.050 18733 5269 1 15 . 1 1 28 28 GLN N N 28 122.321 122.321 121.803 0.518 18733 5270 1 15 . 1 1 28 28 GLN HA H 28 4.593 4.593 4.653 -0.060 18733 5271 1 15 . 1 1 28 28 GLN CA C 28 54.684 54.684 54.678 0.005 18733 5272 1 15 . 1 1 28 28 GLN CB C 28 30.183 30.183 30.257 -0.074 18733 5273 1 15 . 1 1 29 29 THR N N 29 119.517 119.517 114.884 4.633 18733 5274 1 15 . 1 1 29 29 THR HA H 29 3.916 3.916 3.973 -0.057 18733 5275 1 15 . 1 1 29 29 THR CA C 29 65.895 65.895 66.144 -0.250 18733 5276 1 15 . 1 1 29 29 THR CB C 29 68.708 68.708 68.570 0.138 18733 5277 1 15 . 1 1 30 30 GLY N N 30 109.285 109.285 109.106 0.179 18733 5278 1 15 . 1 1 30 30 GLY CA C 30 47.126 47.126 47.042 0.084 18733 5279 1 15 . 1 1 31 31 GLU N N 31 120.940 120.940 121.645 -0.705 18733 5280 1 15 . 1 1 31 31 GLU HA H 31 4.259 4.259 4.128 0.131 18733 5281 1 15 . 1 1 31 31 GLU CA C 31 59.424 59.424 59.278 0.146 18733 5282 1 15 . 1 1 31 31 GLU CB C 31 29.410 29.410 29.281 0.129 18733 5283 1 15 . 1 1 32 32 VAL N N 32 122.718 122.718 120.178 2.540 18733 5284 1 15 . 1 1 32 32 VAL HA H 32 3.568 3.568 3.785 -0.217 18733 5285 1 15 . 1 1 32 32 VAL CA C 32 66.122 66.122 65.538 0.584 18733 5286 1 15 . 1 1 32 32 VAL CB C 32 31.157 31.157 31.666 -0.509 18733 5287 1 15 . 1 1 33 33 SER N N 33 114.886 114.886 116.724 -1.838 18733 5288 1 15 . 1 1 33 33 SER HA H 33 4.112 4.112 4.130 -0.018 18733 5289 1 15 . 1 1 33 33 SER CA C 33 62.119 62.119 62.273 -0.154 18733 5290 1 15 . 1 1 33 33 SER CB C 33 63.293 63.293 62.921 0.372 18733 5291 1 15 . 1 1 34 34 ALA N N 34 121.240 121.240 123.573 -2.333 18733 5292 1 15 . 1 1 34 34 ALA HA H 34 4.505 4.505 4.255 0.250 18733 5293 1 15 . 1 1 34 34 ALA CA C 34 55.790 55.790 54.934 0.856 18733 5294 1 15 . 1 1 34 34 ALA CB C 34 18.845 18.845 18.224 0.621 18733 5295 1 15 . 1 1 35 35 SER N N 35 111.131 111.131 116.415 -5.284 18733 5296 1 15 . 1 1 35 35 SER HA H 35 3.420 3.420 4.317 -0.897 18733 5297 1 15 . 1 1 35 35 SER CA C 35 61.316 61.316 62.419 -1.103 18733 5298 1 15 . 1 1 35 35 SER CB C 35 62.547 62.547 63.093 -0.546 18733 5299 1 15 . 1 1 36 36 PHE N N 36 127.676 127.676 122.897 4.779 18733 5300 1 15 . 1 1 36 36 PHE HA H 36 4.490 4.490 4.253 0.237 18733 5301 1 15 . 1 1 36 36 PHE CA C 36 57.592 57.592 61.516 -3.924 18733 5302 1 15 . 1 1 36 36 PHE CB C 36 38.111 38.111 39.318 -1.207 18733 5303 1 15 . 1 1 37 37 MET N N 37 119.851 119.851 120.463 -0.612 18733 5304 1 15 . 1 1 37 37 MET HA H 37 3.859 3.859 4.129 -0.270 18733 5305 1 15 . 1 1 37 37 MET CA C 37 59.444 59.444 59.367 0.077 18733 5306 1 15 . 1 1 37 37 MET CB C 37 33.517 33.517 32.514 1.003 18733 5307 1 15 . 1 1 38 38 TRP N N 38 121.153 121.153 120.555 0.598 18733 5308 1 15 . 1 1 38 38 TRP HA H 38 3.981 3.981 4.252 -0.271 18733 5309 1 15 . 1 1 38 38 TRP CA C 38 62.129 62.129 60.248 1.881 18733 5310 1 15 . 1 1 38 38 TRP CB C 38 29.930 29.930 29.862 0.068 18733 5311 1 15 . 1 1 39 39 ALA N N 39 119.518 119.518 122.440 -2.922 18733 5312 1 15 . 1 1 39 39 ALA HA H 39 3.880 3.880 3.787 0.093 18733 5313 1 15 . 1 1 39 39 ALA CA C 39 55.231 55.231 54.873 0.358 18733 5314 1 15 . 1 1 39 39 ALA CB C 39 20.477 20.477 17.784 2.693 18733 5315 1 15 . 1 1 40 40 LEU N N 40 116.794 116.794 119.838 -3.044 18733 5316 1 15 . 1 1 40 40 LEU HA H 40 2.741 2.741 3.852 -1.111 18733 5317 1 15 . 1 1 40 40 LEU CA C 40 56.979 56.979 57.215 -0.236 18733 5318 1 15 . 1 1 40 40 LEU CB C 40 40.563 40.563 41.263 -0.700 18733 5319 1 15 . 1 1 41 41 ALA N N 41 120.249 120.249 121.652 -1.403 18733 5320 1 15 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.854 -0.191 18733 5321 1 15 . 1 1 41 41 ALA CA C 41 54.943 54.943 55.112 -0.169 18733 5322 1 15 . 1 1 41 41 ALA CB C 41 17.512 17.512 17.986 -0.474 18733 5323 1 15 . 1 1 42 42 ARG N N 42 118.787 118.787 118.010 0.777 18733 5324 1 15 . 1 1 42 42 ARG HA H 42 3.315 3.315 3.808 -0.493 18733 5325 1 15 . 1 1 42 42 ARG CA C 42 60.027 60.027 59.099 0.928 18733 5326 1 15 . 1 1 42 42 ARG CB C 42 29.084 29.084 30.058 -0.974 18733 5327 1 15 . 1 1 43 43 TYR N N 43 122.429 122.429 119.938 2.491 18733 5328 1 15 . 1 1 43 43 TYR HA H 43 3.956 3.956 4.238 -0.282 18733 5329 1 15 . 1 1 43 43 TYR CA C 43 63.225 63.225 61.134 2.091 18733 5330 1 15 . 1 1 43 43 TYR CB C 43 39.819 39.819 38.687 1.132 18733 5331 1 15 . 1 1 44 44 ASN N N 44 116.736 116.736 117.457 -0.721 18733 5332 1 15 . 1 1 44 44 ASN HA H 44 4.170 4.170 4.565 -0.395 18733 5333 1 15 . 1 1 44 44 ASN CA C 44 56.267 56.267 55.416 0.851 18733 5334 1 15 . 1 1 44 44 ASN CB C 44 37.894 37.894 38.531 -0.637 18733 5335 1 15 . 1 1 45 45 ALA N N 45 124.950 124.950 121.929 3.021 18733 5336 1 15 . 1 1 45 45 ALA HA H 45 3.862 3.862 4.285 -0.423 18733 5337 1 15 . 1 1 45 45 ALA CA C 45 55.465 55.465 54.352 1.113 18733 5338 1 15 . 1 1 45 45 ALA CB C 45 18.587 18.587 18.171 0.416 18733 5339 1 15 . 1 1 46 46 TRP N N 46 119.686 119.686 121.801 -2.115 18733 5340 1 15 . 1 1 46 46 TRP HA H 46 2.849 2.849 4.187 -1.338 18733 5341 1 15 . 1 1 46 46 TRP CA C 46 60.783 60.783 59.868 0.915 18733 5342 1 15 . 1 1 46 46 TRP CB C 46 26.470 26.470 28.715 -2.245 18733 5343 1 15 . 1 1 47 47 PHE N N 47 121.090 121.090 116.306 4.784 18733 5344 1 15 . 1 1 47 47 PHE HA H 47 2.939 2.939 4.218 -1.279 18733 5345 1 15 . 1 1 47 47 PHE CA C 47 59.116 59.116 59.772 -0.656 18733 5346 1 15 . 1 1 47 47 PHE CB C 47 38.212 38.212 38.822 -0.610 18733 5347 1 15 . 1 1 48 48 GLY N N 48 109.386 109.386 107.278 2.108 18733 5348 1 15 . 1 1 48 48 GLY CA C 48 47.209 47.209 46.953 0.256 18733 5349 1 15 . 1 1 49 49 SER N N 49 118.098 118.098 114.327 3.771 18733 5350 1 15 . 1 1 49 49 SER CA C 49 62.016 62.016 60.321 1.695 18733 5351 1 15 . 1 1 49 49 SER CB C 49 63.411 63.411 63.151 0.260 18733 5352 1 15 . 1 1 50 50 THR N N 50 110.801 110.801 114.138 -3.337 18733 5353 1 15 . 1 1 50 50 THR HA H 50 3.851 3.851 4.499 -0.648 18733 5354 1 15 . 1 1 50 50 THR CA C 50 63.914 63.914 60.852 3.062 18733 5355 1 15 . 1 1 50 50 THR CB C 50 69.676 69.676 69.656 0.020 18733 5356 1 15 . 1 1 51 51 SER N N 51 115.249 115.249 118.117 -2.868 18733 5357 1 15 . 1 1 51 51 SER HA H 51 3.990 3.990 4.304 -0.314 18733 5358 1 15 . 1 1 51 51 SER CA C 51 59.360 59.360 61.036 -1.676 18733 5359 1 15 . 1 1 51 51 SER CB C 51 63.142 63.142 63.844 -0.702 18733 5360 1 15 . 1 1 52 52 PHE N N 52 118.004 118.004 117.402 0.602 18733 5361 1 15 . 1 1 52 52 PHE HA H 52 4.861 4.861 4.696 0.165 18733 5362 1 15 . 1 1 52 52 PHE CA C 52 57.045 57.045 57.052 -0.007 18733 5363 1 15 . 1 1 52 52 PHE CB C 52 42.165 42.165 42.029 0.136 18733 5364 1 15 . 1 1 53 53 GLU N N 53 119.224 119.224 118.588 0.636 18733 5365 1 15 . 1 1 53 53 GLU HA H 53 4.415 4.415 4.345 0.070 18733 5366 1 15 . 1 1 53 53 GLU CA C 53 57.653 57.653 57.320 0.333 18733 5367 1 15 . 1 1 53 53 GLU CB C 53 31.679 31.679 30.274 1.405 18733 5368 1 15 . 1 1 54 54 THR N N 54 105.230 105.230 110.927 -5.697 18733 5369 1 15 . 1 1 54 54 THR HA H 54 4.529 4.529 4.610 -0.081 18733 5370 1 15 . 1 1 54 54 THR CA C 54 58.360 58.360 59.477 -1.117 18733 5371 1 15 . 1 1 54 54 THR CB C 54 73.366 73.366 72.478 0.888 18733 5372 1 15 . 1 1 55 55 LYS N N 55 122.509 122.509 121.629 0.880 18733 5373 1 15 . 1 1 55 55 LYS HA H 55 2.752 2.752 4.085 -1.333 18733 5374 1 15 . 1 1 55 55 LYS CA C 55 58.567 58.567 58.834 -0.267 18733 5375 1 15 . 1 1 55 55 LYS CB C 55 32.829 32.829 31.951 0.878 18733 5376 1 15 . 1 1 56 56 GLU N N 56 117.867 117.867 119.472 -1.605 18733 5377 1 15 . 1 1 56 56 GLU HA H 56 3.785 3.785 4.029 -0.244 18733 5378 1 15 . 1 1 56 56 GLU CA C 56 60.334 60.334 59.935 0.399 18733 5379 1 15 . 1 1 56 56 GLU CB C 56 28.185 28.185 28.873 -0.688 18733 5380 1 15 . 1 1 57 57 GLN N N 57 119.487 119.487 117.662 1.825 18733 5381 1 15 . 1 1 57 57 GLN HA H 57 3.788 3.788 3.914 -0.126 18733 5382 1 15 . 1 1 57 57 GLN CA C 57 58.056 58.056 57.464 0.592 18733 5383 1 15 . 1 1 57 57 GLN CB C 57 28.577 28.577 28.449 0.128 18733 5384 1 15 . 1 1 58 58 MET N N 58 118.284 118.284 120.079 -1.795 18733 5385 1 15 . 1 1 58 58 MET HA H 58 2.029 2.029 4.149 -2.120 18733 5386 1 15 . 1 1 58 58 MET CA C 58 58.862 58.862 58.974 -0.112 18733 5387 1 15 . 1 1 58 58 MET CB C 58 30.814 30.814 32.831 -2.017 18733 5388 1 15 . 1 1 59 59 GLN N N 59 116.663 116.663 119.546 -2.883 18733 5389 1 15 . 1 1 59 59 GLN HA H 59 3.578 3.578 4.065 -0.487 18733 5390 1 15 . 1 1 59 59 GLN CA C 59 59.361 59.361 58.990 0.371 18733 5391 1 15 . 1 1 59 59 GLN CB C 59 28.975 28.975 28.581 0.394 18733 5392 1 15 . 1 1 60 60 ALA N N 60 119.084 119.084 120.034 -0.950 18733 5393 1 15 . 1 1 60 60 ALA HA H 60 4.028 4.028 4.210 -0.182 18733 5394 1 15 . 1 1 60 60 ALA CA C 60 54.245 54.245 53.825 0.419 18733 5395 1 15 . 1 1 60 60 ALA CB C 60 18.161 18.161 18.057 0.104 18733 5396 1 15 . 1 1 61 61 LYS N N 61 115.215 115.215 116.168 -0.953 18733 5397 1 15 . 1 1 61 61 LYS HA H 61 4.517 4.517 4.657 -0.140 18733 5398 1 15 . 1 1 61 61 LYS CA C 61 54.188 54.188 55.840 -1.652 18733 5399 1 15 . 1 1 61 61 LYS CB C 61 33.239 33.239 33.104 0.135 18733 5400 1 15 . 1 1 62 62 LYS N N 62 122.199 122.199 120.660 1.539 18733 5401 1 15 . 1 1 62 62 LYS HA H 62 3.582 3.582 4.010 -0.428 18733 5402 1 15 . 1 1 62 62 LYS CA C 62 61.271 61.271 60.038 1.233 18733 5403 1 15 . 1 1 62 62 LYS CB C 62 33.052 33.052 31.808 1.244 18733 5404 1 15 . 1 1 63 63 GLN N N 63 117.101 117.101 115.876 1.225 18733 5405 1 15 . 1 1 63 63 GLN HA H 63 3.767 3.767 4.287 -0.520 18733 5406 1 15 . 1 1 63 63 GLN CA C 63 58.948 58.948 56.559 2.389 18733 5407 1 15 . 1 1 63 63 GLN CB C 63 27.823 27.823 28.147 -0.324 18733 5408 1 15 . 1 1 64 64 GLU N N 64 119.459 119.459 117.738 1.721 18733 5409 1 15 . 1 1 64 64 GLU HA H 64 4.035 4.035 4.320 -0.285 18733 5410 1 15 . 1 1 64 64 GLU CA C 64 59.672 59.672 57.605 2.067 18733 5411 1 15 . 1 1 64 64 GLU CB C 64 29.755 29.755 30.599 -0.844 18733 5412 1 15 . 1 1 65 65 MET N N 65 118.493 118.493 116.473 2.020 18733 5413 1 15 . 1 1 65 65 MET HA H 65 4.077 4.077 4.395 -0.318 18733 5414 1 15 . 1 1 65 65 MET CA C 65 59.488 59.488 58.151 1.337 18733 5415 1 15 . 1 1 65 65 MET CB C 65 34.335 34.335 33.291 1.044 18733 5416 1 15 . 1 1 66 66 MET N N 66 117.848 117.848 117.802 0.046 18733 5417 1 15 . 1 1 66 66 MET HA H 66 4.127 4.127 4.020 0.107 18733 5418 1 15 . 1 1 66 66 MET CA C 66 59.790 59.790 57.944 1.846 18733 5419 1 15 . 1 1 66 66 MET CB C 66 31.196 31.196 32.142 -0.947 18733 5420 1 15 . 1 1 67 67 ASP N N 67 118.987 118.987 120.148 -1.161 18733 5421 1 15 . 1 1 67 67 ASP HA H 67 4.283 4.283 4.349 -0.066 18733 5422 1 15 . 1 1 67 67 ASP CA C 67 57.892 57.892 57.423 0.469 18733 5423 1 15 . 1 1 67 67 ASP CB C 67 39.885 39.885 41.043 -1.158 18733 5424 1 15 . 1 1 68 68 TYR N N 68 119.790 119.790 113.309 6.481 18733 5425 1 15 . 1 1 68 68 TYR HA H 68 4.118 4.118 4.783 -0.665 18733 5426 1 15 . 1 1 68 68 TYR CA C 68 61.588 61.588 56.559 5.029 18733 5427 1 15 . 1 1 68 68 TYR CB C 68 37.806 37.806 38.468 -0.662 18733 5428 1 15 . 1 1 69 69 TYR N N 69 118.552 118.552 119.082 -0.530 18733 5429 1 15 . 1 1 69 69 TYR HA H 69 4.057 4.057 3.911 0.146 18733 5430 1 15 . 1 1 69 69 TYR CA C 69 62.536 62.536 59.391 3.145 18733 5431 1 15 . 1 1 69 69 TYR CB C 69 37.582 37.582 38.033 -0.451 18733 5432 1 15 . 1 1 70 70 MET N N 70 117.939 117.939 117.931 0.008 18733 5433 1 15 . 1 1 70 70 MET HA H 70 4.489 4.489 4.157 0.332 18733 5434 1 15 . 1 1 70 70 MET CA C 70 58.947 58.947 58.762 0.185 18733 5435 1 15 . 1 1 70 70 MET CB C 70 31.380 31.380 32.334 -0.954 18733 5436 1 15 . 1 1 71 71 ASP N N 71 120.118 120.118 115.319 4.799 18733 5437 1 15 . 1 1 71 71 ASP HA H 71 4.390 4.390 4.776 -0.386 18733 5438 1 15 . 1 1 71 71 ASP CA C 71 57.730 57.730 54.373 3.357 18733 5439 1 15 . 1 1 71 71 ASP CB C 71 40.050 40.050 40.910 -0.860 18733 5440 1 15 . 1 1 72 72 ARG N N 72 118.091 118.091 119.082 -0.991 18733 5441 1 15 . 1 1 72 72 ARG HA H 72 4.107 4.107 4.418 -0.311 18733 5442 1 15 . 1 1 72 72 ARG CA C 72 58.260 58.260 57.438 0.822 18733 5443 1 15 . 1 1 72 72 ARG CB C 72 31.091 31.091 31.155 -0.064 18733 5444 1 15 . 1 1 73 73 TYR N N 73 121.878 121.878 117.391 4.487 18733 5445 1 15 . 1 1 73 73 TYR HA H 73 4.178 4.178 4.755 -0.577 18733 5446 1 15 . 1 1 73 73 TYR CA C 73 61.440 61.440 54.901 6.539 18733 5447 1 15 . 1 1 73 73 TYR CB C 73 38.677 38.677 37.484 1.193 18733 5448 1 15 . 1 1 74 74 LYS N N 74 119.791 119.791 122.799 -3.008 18733 5449 1 15 . 1 1 74 74 LYS HA H 74 3.564 3.564 3.687 -0.123 18733 5450 1 15 . 1 1 74 74 LYS CA C 74 60.621 60.621 60.543 0.078 18733 5451 1 15 . 1 1 74 74 LYS CB C 74 32.225 32.225 32.230 -0.005 18733 5452 1 15 . 1 1 75 75 GLU N N 75 116.140 116.140 117.371 -1.231 18733 5453 1 15 . 1 1 75 75 GLU HA H 75 4.004 4.004 4.107 -0.103 18733 5454 1 15 . 1 1 75 75 GLU CA C 75 59.293 59.293 58.801 0.492 18733 5455 1 15 . 1 1 75 75 GLU CB C 75 29.627 29.627 28.650 0.977 18733 5456 1 15 . 1 1 76 76 MET N N 76 119.200 119.200 118.914 0.286 18733 5457 1 15 . 1 1 76 76 MET HA H 76 4.250 4.250 4.195 0.055 18733 5458 1 15 . 1 1 76 76 MET CA C 76 60.058 60.058 58.604 1.454 18733 5459 1 15 . 1 1 76 76 MET CB C 76 32.751 32.751 32.584 0.167 18733 5460 1 15 . 1 1 77 77 LEU N N 77 125.191 125.191 119.046 6.145 18733 5461 1 15 . 1 1 77 77 LEU HA H 77 3.703 3.703 4.025 -0.322 18733 5462 1 15 . 1 1 77 77 LEU CA C 77 58.589 58.589 57.248 1.341 18733 5463 1 15 . 1 1 77 77 LEU CB C 77 41.650 41.650 41.891 -0.241 18733 5464 1 15 . 1 1 78 78 ASP N N 78 119.843 119.843 120.615 -0.772 18733 5465 1 15 . 1 1 78 78 ASP HA H 78 4.177 4.177 4.286 -0.109 18733 5466 1 15 . 1 1 78 78 ASP CA C 78 58.584 58.584 57.668 0.916 18733 5467 1 15 . 1 1 78 78 ASP CB C 78 42.352 42.352 41.107 1.245 18733 5468 1 15 . 1 1 79 79 ALA N N 79 117.168 117.168 120.315 -3.147 18733 5469 1 15 . 1 1 79 79 ALA HA H 79 4.077 4.077 4.175 -0.098 18733 5470 1 15 . 1 1 79 79 ALA CA C 79 55.317 55.317 54.310 1.007 18733 5471 1 15 . 1 1 79 79 ALA CB C 79 18.335 18.335 18.613 -0.278 18733 5472 1 15 . 1 1 80 80 ASN N N 80 115.882 115.882 114.178 1.704 18733 5473 1 15 . 1 1 80 80 ASN HA H 80 4.416 4.416 4.951 -0.535 18733 5474 1 15 . 1 1 80 80 ASN CA C 80 57.791 57.791 54.090 3.701 18733 5475 1 15 . 1 1 80 80 ASN CB C 80 40.251 40.251 39.723 0.528 18733 5476 1 15 . 1 1 81 81 MET N N 81 120.945 120.945 120.035 0.910 18733 5477 1 15 . 1 1 81 81 MET HA H 81 4.129 4.129 4.356 -0.227 18733 5478 1 15 . 1 1 81 81 MET CA C 81 58.954 58.954 58.233 0.721 18733 5479 1 15 . 1 1 81 81 MET CB C 81 31.937 31.937 32.660 -0.723 18733 5480 1 15 . 1 1 82 82 GLU N N 82 116.578 116.578 117.543 -0.965 18733 5481 1 15 . 1 1 82 82 GLU HA H 82 3.979 3.979 4.190 -0.211 18733 5482 1 15 . 1 1 82 82 GLU CA C 82 59.214 59.214 58.017 1.198 18733 5483 1 15 . 1 1 82 82 GLU CB C 82 29.207 29.207 28.587 0.620 18733 5484 1 15 . 1 1 83 83 ASP N N 83 119.199 119.199 121.885 -2.686 18733 5485 1 15 . 1 1 83 83 ASP HA H 83 4.399 4.399 4.291 0.108 18733 5486 1 15 . 1 1 83 83 ASP CA C 83 57.554 57.554 57.445 0.109 18733 5487 1 15 . 1 1 83 83 ASP CB C 83 42.088 42.088 40.563 1.525 18733 5488 1 15 . 1 1 84 84 TYR N N 84 117.904 117.904 117.093 0.811 18733 5489 1 15 . 1 1 84 84 TYR HA H 84 3.931 3.931 4.506 -0.575 18733 5490 1 15 . 1 1 84 84 TYR CA C 84 63.663 63.663 60.860 2.803 18733 5491 1 15 . 1 1 84 84 TYR CB C 84 39.134 39.134 38.702 0.432 18733 5492 1 15 . 1 1 85 85 ILE N N 85 116.362 116.362 120.433 -4.071 18733 5493 1 15 . 1 1 85 85 ILE HA H 85 3.752 3.752 3.724 0.028 18733 5494 1 15 . 1 1 85 85 ILE CA C 85 66.287 66.287 64.861 1.427 18733 5495 1 15 . 1 1 85 85 ILE CB C 85 38.815 38.815 37.843 0.972 18733 5496 1 15 . 1 1 86 86 GLU N N 86 117.696 117.696 116.814 0.882 18733 5497 1 15 . 1 1 86 86 GLU HA H 86 3.896 3.896 4.179 -0.283 18733 5498 1 15 . 1 1 86 86 GLU CA C 86 59.290 59.290 58.698 0.592 18733 5499 1 15 . 1 1 86 86 GLU CB C 86 29.660 29.660 29.194 0.466 18733 5500 1 15 . 1 1 87 87 ASN N N 87 113.943 113.943 116.832 -2.889 18733 5501 1 15 . 1 1 87 87 ASN HA H 87 4.933 4.933 4.880 0.053 18733 5502 1 15 . 1 1 87 87 ASN CA C 87 52.462 52.462 52.961 -0.499 18733 5503 1 15 . 1 1 87 87 ASN CB C 87 38.847 38.847 39.717 -0.869 18733 5504 1 15 . 1 1 88 88 PHE N N 88 123.733 123.733 122.940 0.793 18733 5505 1 15 . 1 1 88 88 PHE HA H 88 4.141 4.141 4.214 -0.073 18733 5506 1 15 . 1 1 88 88 PHE CA C 88 63.888 63.888 62.799 1.089 18733 5507 1 15 . 1 1 88 88 PHE CB C 88 41.768 41.768 39.041 2.727 18733 5508 1 15 . 1 1 89 89 ASP N N 89 117.257 117.257 117.679 -0.422 18733 5509 1 15 . 1 1 89 89 ASP HA H 89 4.386 4.386 3.731 0.655 18733 5510 1 15 . 1 1 89 89 ASP CA C 89 57.468 57.468 57.242 0.225 18733 5511 1 15 . 1 1 89 89 ASP CB C 89 39.886 39.886 39.283 0.603 18733 5512 1 15 . 1 1 90 90 HIS N N 90 121.385 121.385 121.423 -0.038 18733 5513 1 15 . 1 1 90 90 HIS HA H 90 4.294 4.294 4.091 0.203 18733 5514 1 15 . 1 1 90 90 HIS CA C 90 59.081 59.081 59.323 -0.242 18733 5515 1 15 . 1 1 90 90 HIS CB C 90 29.949 29.949 29.951 -0.002 18733 5516 1 15 . 1 1 91 91 TYR N N 91 118.440 118.440 118.275 0.165 18733 5517 1 15 . 1 1 91 91 TYR HA H 91 4.192 4.192 4.531 -0.339 18733 5518 1 15 . 1 1 91 91 TYR CA C 91 59.618 59.618 60.617 -0.999 18733 5519 1 15 . 1 1 91 91 TYR CB C 91 36.860 36.860 38.075 -1.215 18733 5520 1 15 . 1 1 92 92 ARG N N 92 119.028 119.028 119.561 -0.533 18733 5521 1 15 . 1 1 92 92 ARG HA H 92 4.023 4.023 3.988 0.035 18733 5522 1 15 . 1 1 92 92 ARG CA C 92 57.308 57.308 58.259 -0.951 18733 5523 1 15 . 1 1 92 92 ARG CB C 92 29.129 29.129 29.474 -0.345 18733 5524 1 15 . 1 1 93 93 ALA N N 93 120.513 120.513 118.452 2.061 18733 5525 1 15 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.124 0.087 18733 5526 1 15 . 1 1 93 93 ALA CA C 93 53.603 53.603 54.570 -0.967 18733 5527 1 15 . 1 1 93 93 ALA CB C 93 18.864 18.864 18.857 0.007 18733 5528 1 15 . 1 1 94 94 THR N N 94 108.668 108.668 110.140 -1.472 18733 5529 1 15 . 1 1 94 94 THR HA H 94 4.249 4.249 4.116 0.133 18733 5530 1 15 . 1 1 94 94 THR CA C 94 62.170 62.170 63.801 -1.631 18733 5531 1 15 . 1 1 94 94 THR CB C 94 70.164 70.164 68.992 1.172 18733 5532 1 15 . 1 1 95 95 GLN N N 95 122.873 122.873 121.847 1.026 18733 5533 1 15 . 1 1 95 95 GLN HA H 95 4.288 4.288 4.314 -0.026 18733 5534 1 15 . 1 1 95 95 GLN CA C 95 56.073 56.073 56.217 -0.144 18733 5535 1 15 . 1 1 95 95 GLN CB C 95 28.903 28.903 29.061 -0.157 18733 5536 1 16 . 1 1 2 2 ASN HA H 2 4.590 4.590 4.948 -0.358 18733 5537 1 16 . 1 1 2 2 ASN CA C 2 53.554 53.554 53.486 0.068 18733 5538 1 16 . 1 1 2 2 ASN CB C 2 38.650 38.650 39.930 -1.280 18733 5539 1 16 . 1 1 3 3 ASN HA H 3 4.526 4.526 5.061 -0.535 18733 5540 1 16 . 1 1 3 3 ASN CA C 3 53.720 53.720 52.885 0.835 18733 5541 1 16 . 1 1 3 3 ASN CB C 3 38.473 38.473 41.027 -2.554 18733 5542 1 16 . 1 1 4 4 GLU N N 4 121.638 121.638 122.641 -1.003 18733 5543 1 16 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.201 -0.115 18733 5544 1 16 . 1 1 4 4 GLU CA C 4 57.656 57.656 58.486 -0.830 18733 5545 1 16 . 1 1 4 4 GLU CB C 4 29.649 29.649 30.211 -0.562 18733 5546 1 16 . 1 1 5 5 ASN N N 5 118.543 118.543 117.553 0.990 18733 5547 1 16 . 1 1 5 5 ASN HA H 5 4.531 4.531 4.677 -0.146 18733 5548 1 16 . 1 1 5 5 ASN CA C 5 55.114 55.114 53.264 1.850 18733 5549 1 16 . 1 1 5 5 ASN CB C 5 38.417 38.417 38.950 -0.533 18733 5550 1 16 . 1 1 6 6 ALA N N 6 123.531 123.531 122.489 1.042 18733 5551 1 16 . 1 1 6 6 ALA HA H 6 4.057 4.057 3.979 0.078 18733 5552 1 16 . 1 1 6 6 ALA CA C 6 55.266 55.266 50.113 5.153 18733 5553 1 16 . 1 1 6 6 ALA CB C 6 18.099 18.099 19.756 -1.657 18733 5554 1 16 . 1 1 7 7 PHE N N 7 119.588 119.588 119.023 0.565 18733 5555 1 16 . 1 1 7 7 PHE HA H 7 3.777 3.777 4.500 -0.723 18733 5556 1 16 . 1 1 7 7 PHE CA C 7 61.179 61.179 54.459 6.720 18733 5557 1 16 . 1 1 7 7 PHE CB C 7 38.947 38.947 35.815 3.132 18733 5558 1 16 . 1 1 8 8 TYR N N 8 116.300 116.300 122.759 -6.459 18733 5559 1 16 . 1 1 8 8 TYR HA H 8 4.007 4.007 4.151 -0.144 18733 5560 1 16 . 1 1 8 8 TYR CA C 8 61.117 61.117 62.414 -1.297 18733 5561 1 16 . 1 1 8 8 TYR CB C 8 37.370 37.370 36.880 0.490 18733 5562 1 16 . 1 1 9 9 ALA N N 9 124.516 124.516 118.568 5.948 18733 5563 1 16 . 1 1 9 9 ALA HA H 9 4.074 4.074 4.274 -0.200 18733 5564 1 16 . 1 1 9 9 ALA CA C 9 55.415 55.415 53.599 1.816 18733 5565 1 16 . 1 1 9 9 ALA CB C 9 17.797 17.797 18.151 -0.354 18733 5566 1 16 . 1 1 10 10 ARG N N 10 118.255 118.255 118.734 -0.479 18733 5567 1 16 . 1 1 10 10 ARG HA H 10 3.857 3.857 4.360 -0.503 18733 5568 1 16 . 1 1 10 10 ARG CA C 10 60.070 60.070 58.070 2.000 18733 5569 1 16 . 1 1 10 10 ARG CB C 10 31.179 31.179 31.089 0.090 18733 5570 1 16 . 1 1 11 11 ALA N N 11 119.258 119.258 122.637 -3.379 18733 5571 1 16 . 1 1 11 11 ALA HA H 11 4.079 4.079 4.071 0.008 18733 5572 1 16 . 1 1 11 11 ALA CA C 11 55.152 55.152 55.050 0.102 18733 5573 1 16 . 1 1 11 11 ALA CB C 11 19.072 19.072 17.971 1.101 18733 5574 1 16 . 1 1 12 12 THR N N 12 114.669 114.669 112.871 1.798 18733 5575 1 16 . 1 1 12 12 THR HA H 12 3.761 3.761 4.022 -0.261 18733 5576 1 16 . 1 1 12 12 THR CA C 12 67.028 67.028 66.057 0.971 18733 5577 1 16 . 1 1 12 12 THR CB C 12 68.661 68.661 68.630 0.031 18733 5578 1 16 . 1 1 13 13 GLU N N 13 120.838 120.838 121.156 -0.318 18733 5579 1 16 . 1 1 13 13 GLU HA H 13 3.782 3.782 4.185 -0.403 18733 5580 1 16 . 1 1 13 13 GLU CA C 13 59.781 59.781 58.949 0.832 18733 5581 1 16 . 1 1 13 13 GLU CB C 13 29.713 29.713 29.607 0.106 18733 5582 1 16 . 1 1 14 14 LEU N N 14 119.831 119.831 120.755 -0.924 18733 5583 1 16 . 1 1 14 14 LEU HA H 14 3.616 3.616 4.198 -0.582 18733 5584 1 16 . 1 1 14 14 LEU CA C 14 58.363 58.363 57.899 0.464 18733 5585 1 16 . 1 1 14 14 LEU CB C 14 42.109 42.109 41.372 0.737 18733 5586 1 16 . 1 1 15 15 ILE N N 15 119.150 119.150 118.086 1.064 18733 5587 1 16 . 1 1 15 15 ILE HA H 15 3.376 3.376 3.468 -0.092 18733 5588 1 16 . 1 1 15 15 ILE CA C 15 66.274 66.274 64.944 1.330 18733 5589 1 16 . 1 1 15 15 ILE CB C 15 38.343 38.343 37.429 0.914 18733 5590 1 16 . 1 1 16 16 LYS N N 16 118.734 118.734 120.220 -1.486 18733 5591 1 16 . 1 1 16 16 LYS HA H 16 3.808 3.808 4.003 -0.195 18733 5592 1 16 . 1 1 16 16 LYS CA C 16 59.950 59.950 59.084 0.866 18733 5593 1 16 . 1 1 16 16 LYS CB C 16 32.109 32.109 32.012 0.097 18733 5594 1 16 . 1 1 17 17 LEU N N 17 121.376 121.376 119.675 1.701 18733 5595 1 16 . 1 1 17 17 LEU HA H 17 4.017 4.017 4.167 -0.150 18733 5596 1 16 . 1 1 17 17 LEU CA C 17 57.733 57.733 57.619 0.114 18733 5597 1 16 . 1 1 17 17 LEU CB C 17 40.385 40.385 41.195 -0.810 18733 5598 1 16 . 1 1 18 18 ALA N N 18 123.298 123.298 120.378 2.920 18733 5599 1 16 . 1 1 18 18 ALA HA H 18 3.547 3.547 4.062 -0.515 18733 5600 1 16 . 1 1 18 18 ALA CA C 18 55.031 55.031 54.828 0.202 18733 5601 1 16 . 1 1 18 18 ALA CB C 18 17.716 17.716 18.431 -0.715 18733 5602 1 16 . 1 1 19 19 ASN N N 19 114.581 114.581 115.093 -0.512 18733 5603 1 16 . 1 1 19 19 ASN HA H 19 4.504 4.504 4.589 -0.085 18733 5604 1 16 . 1 1 19 19 ASN CA C 19 55.633 55.633 55.444 0.189 18733 5605 1 16 . 1 1 19 19 ASN CB C 19 37.683 37.683 38.596 -0.913 18733 5606 1 16 . 1 1 20 20 GLN N N 20 122.054 122.054 119.060 2.994 18733 5607 1 16 . 1 1 20 20 GLN HA H 20 3.959 3.959 4.187 -0.228 18733 5608 1 16 . 1 1 20 20 GLN CA C 20 58.913 58.913 58.347 0.566 18733 5609 1 16 . 1 1 20 20 GLN CB C 20 28.293 28.293 28.629 -0.336 18733 5610 1 16 . 1 1 21 21 GLN N N 21 120.962 120.962 117.358 3.604 18733 5611 1 16 . 1 1 21 21 GLN HA H 21 3.863 3.863 4.237 -0.374 18733 5612 1 16 . 1 1 21 21 GLN CA C 21 58.371 58.371 57.912 0.459 18733 5613 1 16 . 1 1 21 21 GLN CB C 21 27.603 27.603 28.251 -0.648 18733 5614 1 16 . 1 1 22 22 ASN N N 22 114.486 114.486 117.314 -2.828 18733 5615 1 16 . 1 1 22 22 ASN HA H 22 4.550 4.550 4.654 -0.104 18733 5616 1 16 . 1 1 22 22 ASN CA C 22 53.545 53.545 53.817 -0.272 18733 5617 1 16 . 1 1 22 22 ASN CB C 22 39.752 39.752 38.731 1.021 18733 5618 1 16 . 1 1 23 23 GLN N N 23 117.002 117.002 119.056 -2.054 18733 5619 1 16 . 1 1 23 23 GLN HA H 23 4.121 4.121 4.310 -0.189 18733 5620 1 16 . 1 1 23 23 GLN CA C 23 56.336 56.336 55.063 1.273 18733 5621 1 16 . 1 1 23 23 GLN CB C 23 28.367 28.367 26.494 1.873 18733 5622 1 16 . 1 1 24 24 ASN N N 24 117.868 117.868 118.170 -0.302 18733 5623 1 16 . 1 1 24 24 ASN HA H 24 4.554 4.554 4.891 -0.337 18733 5624 1 16 . 1 1 24 24 ASN CA C 24 53.550 53.550 53.126 0.424 18733 5625 1 16 . 1 1 24 24 ASN CB C 24 38.856 38.856 40.269 -1.413 18733 5626 1 16 . 1 1 25 25 THR N N 25 115.612 115.612 114.874 0.738 18733 5627 1 16 . 1 1 25 25 THR HA H 25 4.193 4.193 4.420 -0.227 18733 5628 1 16 . 1 1 25 25 THR CA C 25 63.026 63.026 62.978 0.048 18733 5629 1 16 . 1 1 25 25 THR CB C 25 69.388 69.388 69.446 -0.058 18733 5630 1 16 . 1 1 26 26 GLU N N 26 119.600 119.600 119.989 -0.389 18733 5631 1 16 . 1 1 26 26 GLU HA H 26 4.213 4.213 4.309 -0.096 18733 5632 1 16 . 1 1 26 26 GLU CA C 26 56.803 56.803 56.587 0.216 18733 5633 1 16 . 1 1 26 26 GLU CB C 26 29.566 29.566 29.483 0.083 18733 5634 1 16 . 1 1 27 27 ILE N N 27 118.383 118.383 120.139 -1.756 18733 5635 1 16 . 1 1 27 27 ILE HA H 27 4.320 4.320 4.222 0.098 18733 5636 1 16 . 1 1 27 27 ILE CA C 27 59.638 59.638 59.980 -0.342 18733 5637 1 16 . 1 1 27 27 ILE CB C 27 39.531 39.531 39.328 0.203 18733 5638 1 16 . 1 1 28 28 GLN N N 28 122.321 122.321 123.227 -0.906 18733 5639 1 16 . 1 1 28 28 GLN HA H 28 4.593 4.593 4.464 0.129 18733 5640 1 16 . 1 1 28 28 GLN CA C 28 54.684 54.684 55.601 -0.917 18733 5641 1 16 . 1 1 28 28 GLN CB C 28 30.183 30.183 29.433 0.750 18733 5642 1 16 . 1 1 29 29 THR N N 29 119.517 119.517 118.648 0.869 18733 5643 1 16 . 1 1 29 29 THR HA H 29 3.916 3.916 4.022 -0.106 18733 5644 1 16 . 1 1 29 29 THR CA C 29 65.895 65.895 66.576 -0.681 18733 5645 1 16 . 1 1 29 29 THR CB C 29 68.708 68.708 68.643 0.065 18733 5646 1 16 . 1 1 30 30 GLY N N 30 109.285 109.285 107.902 1.383 18733 5647 1 16 . 1 1 30 30 GLY CA C 30 47.126 47.126 46.102 1.024 18733 5648 1 16 . 1 1 31 31 GLU N N 31 120.940 120.940 121.633 -0.693 18733 5649 1 16 . 1 1 31 31 GLU HA H 31 4.259 4.259 4.233 0.026 18733 5650 1 16 . 1 1 31 31 GLU CA C 31 59.424 59.424 58.365 1.059 18733 5651 1 16 . 1 1 31 31 GLU CB C 31 29.410 29.410 29.386 0.024 18733 5652 1 16 . 1 1 32 32 VAL N N 32 122.718 122.718 119.635 3.083 18733 5653 1 16 . 1 1 32 32 VAL HA H 32 3.568 3.568 3.912 -0.344 18733 5654 1 16 . 1 1 32 32 VAL CA C 32 66.122 66.122 64.945 1.177 18733 5655 1 16 . 1 1 32 32 VAL CB C 32 31.157 31.157 32.029 -0.872 18733 5656 1 16 . 1 1 33 33 SER N N 33 114.886 114.886 116.975 -2.089 18733 5657 1 16 . 1 1 33 33 SER HA H 33 4.112 4.112 4.110 0.002 18733 5658 1 16 . 1 1 33 33 SER CA C 33 62.119 62.119 61.987 0.132 18733 5659 1 16 . 1 1 33 33 SER CB C 33 63.293 63.293 62.980 0.312 18733 5660 1 16 . 1 1 34 34 ALA N N 34 121.240 121.240 123.047 -1.807 18733 5661 1 16 . 1 1 34 34 ALA HA H 34 4.505 4.505 4.222 0.283 18733 5662 1 16 . 1 1 34 34 ALA CA C 34 55.790 55.790 55.128 0.662 18733 5663 1 16 . 1 1 34 34 ALA CB C 34 18.845 18.845 18.346 0.498 18733 5664 1 16 . 1 1 35 35 SER N N 35 111.131 111.131 115.828 -4.697 18733 5665 1 16 . 1 1 35 35 SER HA H 35 3.420 3.420 4.346 -0.926 18733 5666 1 16 . 1 1 35 35 SER CA C 35 61.316 61.316 62.285 -0.969 18733 5667 1 16 . 1 1 35 35 SER CB C 35 62.547 62.547 63.083 -0.536 18733 5668 1 16 . 1 1 36 36 PHE N N 36 127.676 127.676 123.302 4.374 18733 5669 1 16 . 1 1 36 36 PHE HA H 36 4.490 4.490 4.247 0.243 18733 5670 1 16 . 1 1 36 36 PHE CA C 36 57.592 57.592 61.471 -3.879 18733 5671 1 16 . 1 1 36 36 PHE CB C 36 38.111 38.111 39.409 -1.298 18733 5672 1 16 . 1 1 37 37 MET N N 37 119.851 119.851 120.063 -0.212 18733 5673 1 16 . 1 1 37 37 MET HA H 37 3.859 3.859 4.117 -0.258 18733 5674 1 16 . 1 1 37 37 MET CA C 37 59.444 59.444 59.511 -0.067 18733 5675 1 16 . 1 1 37 37 MET CB C 37 33.517 33.517 32.770 0.746 18733 5676 1 16 . 1 1 38 38 TRP N N 38 121.153 121.153 121.126 0.027 18733 5677 1 16 . 1 1 38 38 TRP HA H 38 3.981 3.981 4.225 -0.244 18733 5678 1 16 . 1 1 38 38 TRP CA C 38 62.129 62.129 60.269 1.861 18733 5679 1 16 . 1 1 38 38 TRP CB C 38 29.930 29.930 29.807 0.123 18733 5680 1 16 . 1 1 39 39 ALA N N 39 119.518 119.518 122.190 -2.672 18733 5681 1 16 . 1 1 39 39 ALA HA H 39 3.880 3.880 3.753 0.127 18733 5682 1 16 . 1 1 39 39 ALA CA C 39 55.231 55.231 54.749 0.482 18733 5683 1 16 . 1 1 39 39 ALA CB C 39 20.477 20.477 17.803 2.674 18733 5684 1 16 . 1 1 40 40 LEU N N 40 116.794 116.794 119.885 -3.091 18733 5685 1 16 . 1 1 40 40 LEU HA H 40 2.741 2.741 3.901 -1.160 18733 5686 1 16 . 1 1 40 40 LEU CA C 40 56.979 56.979 57.041 -0.062 18733 5687 1 16 . 1 1 40 40 LEU CB C 40 40.563 40.563 41.296 -0.733 18733 5688 1 16 . 1 1 41 41 ALA N N 41 120.249 120.249 121.894 -1.645 18733 5689 1 16 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.853 -0.190 18733 5690 1 16 . 1 1 41 41 ALA CA C 41 54.943 54.943 55.132 -0.189 18733 5691 1 16 . 1 1 41 41 ALA CB C 41 17.512 17.512 18.024 -0.512 18733 5692 1 16 . 1 1 42 42 ARG N N 42 118.787 118.787 117.996 0.791 18733 5693 1 16 . 1 1 42 42 ARG HA H 42 3.315 3.315 3.808 -0.493 18733 5694 1 16 . 1 1 42 42 ARG CA C 42 60.027 60.027 58.995 1.032 18733 5695 1 16 . 1 1 42 42 ARG CB C 42 29.084 29.084 30.014 -0.930 18733 5696 1 16 . 1 1 43 43 TYR N N 43 122.429 122.429 119.901 2.528 18733 5697 1 16 . 1 1 43 43 TYR HA H 43 3.956 3.956 4.287 -0.331 18733 5698 1 16 . 1 1 43 43 TYR CA C 43 63.225 63.225 61.283 1.942 18733 5699 1 16 . 1 1 43 43 TYR CB C 43 39.819 39.819 38.631 1.188 18733 5700 1 16 . 1 1 44 44 ASN N N 44 116.736 116.736 117.289 -0.553 18733 5701 1 16 . 1 1 44 44 ASN HA H 44 4.170 4.170 4.612 -0.442 18733 5702 1 16 . 1 1 44 44 ASN CA C 44 56.267 56.267 55.200 1.067 18733 5703 1 16 . 1 1 44 44 ASN CB C 44 37.894 37.894 38.601 -0.707 18733 5704 1 16 . 1 1 45 45 ALA N N 45 124.950 124.950 123.097 1.853 18733 5705 1 16 . 1 1 45 45 ALA HA H 45 3.862 3.862 4.242 -0.380 18733 5706 1 16 . 1 1 45 45 ALA CA C 45 55.465 55.465 54.837 0.627 18733 5707 1 16 . 1 1 45 45 ALA CB C 45 18.587 18.587 18.127 0.460 18733 5708 1 16 . 1 1 46 46 TRP N N 46 119.686 119.686 121.260 -1.574 18733 5709 1 16 . 1 1 46 46 TRP HA H 46 2.849 2.849 4.220 -1.371 18733 5710 1 16 . 1 1 46 46 TRP CA C 46 60.783 60.783 58.978 1.804 18733 5711 1 16 . 1 1 46 46 TRP CB C 46 26.470 26.470 28.523 -2.053 18733 5712 1 16 . 1 1 47 47 PHE N N 47 121.090 121.090 117.122 3.968 18733 5713 1 16 . 1 1 47 47 PHE HA H 47 2.939 2.939 4.320 -1.381 18733 5714 1 16 . 1 1 47 47 PHE CA C 47 59.116 59.116 59.619 -0.503 18733 5715 1 16 . 1 1 47 47 PHE CB C 47 38.212 38.212 38.355 -0.142 18733 5716 1 16 . 1 1 48 48 GLY N N 48 109.386 109.386 107.884 1.502 18733 5717 1 16 . 1 1 48 48 GLY CA C 48 47.209 47.209 47.268 -0.059 18733 5718 1 16 . 1 1 49 49 SER N N 49 118.098 118.098 114.979 3.119 18733 5719 1 16 . 1 1 49 49 SER CA C 49 62.016 62.016 60.573 1.443 18733 5720 1 16 . 1 1 49 49 SER CB C 49 63.411 63.411 63.226 0.185 18733 5721 1 16 . 1 1 50 50 THR N N 50 110.801 110.801 111.017 -0.216 18733 5722 1 16 . 1 1 50 50 THR HA H 50 3.851 3.851 4.485 -0.634 18733 5723 1 16 . 1 1 50 50 THR CA C 50 63.914 63.914 62.616 1.298 18733 5724 1 16 . 1 1 50 50 THR CB C 50 69.676 69.676 69.398 0.278 18733 5725 1 16 . 1 1 51 51 SER N N 51 115.249 115.249 117.295 -2.046 18733 5726 1 16 . 1 1 51 51 SER HA H 51 3.990 3.990 4.358 -0.368 18733 5727 1 16 . 1 1 51 51 SER CA C 51 59.360 59.360 61.126 -1.766 18733 5728 1 16 . 1 1 51 51 SER CB C 51 63.142 63.142 63.985 -0.843 18733 5729 1 16 . 1 1 52 52 PHE N N 52 118.004 118.004 115.393 2.611 18733 5730 1 16 . 1 1 52 52 PHE HA H 52 4.861 4.861 4.685 0.176 18733 5731 1 16 . 1 1 52 52 PHE CA C 52 57.045 57.045 57.282 -0.237 18733 5732 1 16 . 1 1 52 52 PHE CB C 52 42.165 42.165 41.937 0.228 18733 5733 1 16 . 1 1 53 53 GLU N N 53 119.224 119.224 118.790 0.434 18733 5734 1 16 . 1 1 53 53 GLU HA H 53 4.415 4.415 4.431 -0.016 18733 5735 1 16 . 1 1 53 53 GLU CA C 53 57.653 57.653 56.614 1.038 18733 5736 1 16 . 1 1 53 53 GLU CB C 53 31.679 31.679 30.520 1.159 18733 5737 1 16 . 1 1 54 54 THR N N 54 105.230 105.230 111.924 -6.694 18733 5738 1 16 . 1 1 54 54 THR HA H 54 4.529 4.529 4.532 -0.003 18733 5739 1 16 . 1 1 54 54 THR CA C 54 58.360 58.360 60.093 -1.733 18733 5740 1 16 . 1 1 54 54 THR CB C 54 73.366 73.366 71.352 2.014 18733 5741 1 16 . 1 1 55 55 LYS N N 55 122.509 122.509 123.230 -0.721 18733 5742 1 16 . 1 1 55 55 LYS HA H 55 2.752 2.752 4.023 -1.271 18733 5743 1 16 . 1 1 55 55 LYS CA C 55 58.567 58.567 59.258 -0.691 18733 5744 1 16 . 1 1 55 55 LYS CB C 55 32.829 32.829 31.441 1.388 18733 5745 1 16 . 1 1 56 56 GLU N N 56 117.867 117.867 119.336 -1.469 18733 5746 1 16 . 1 1 56 56 GLU HA H 56 3.785 3.785 3.992 -0.207 18733 5747 1 16 . 1 1 56 56 GLU CA C 56 60.334 60.334 59.992 0.342 18733 5748 1 16 . 1 1 56 56 GLU CB C 56 28.185 28.185 28.892 -0.707 18733 5749 1 16 . 1 1 57 57 GLN N N 57 119.487 119.487 117.521 1.966 18733 5750 1 16 . 1 1 57 57 GLN HA H 57 3.788 3.788 3.797 -0.009 18733 5751 1 16 . 1 1 57 57 GLN CA C 57 58.056 58.056 57.528 0.528 18733 5752 1 16 . 1 1 57 57 GLN CB C 57 28.577 28.577 28.198 0.379 18733 5753 1 16 . 1 1 58 58 MET N N 58 118.284 118.284 119.392 -1.108 18733 5754 1 16 . 1 1 58 58 MET HA H 58 2.029 2.029 4.291 -2.262 18733 5755 1 16 . 1 1 58 58 MET CA C 58 58.862 58.862 58.686 0.176 18733 5756 1 16 . 1 1 58 58 MET CB C 58 30.814 30.814 32.898 -2.084 18733 5757 1 16 . 1 1 59 59 GLN N N 59 116.663 116.663 119.925 -3.262 18733 5758 1 16 . 1 1 59 59 GLN HA H 59 3.578 3.578 4.063 -0.485 18733 5759 1 16 . 1 1 59 59 GLN CA C 59 59.361 59.361 58.999 0.362 18733 5760 1 16 . 1 1 59 59 GLN CB C 59 28.975 28.975 28.720 0.255 18733 5761 1 16 . 1 1 60 60 ALA N N 60 119.084 119.084 119.730 -0.646 18733 5762 1 16 . 1 1 60 60 ALA HA H 60 4.028 4.028 4.247 -0.219 18733 5763 1 16 . 1 1 60 60 ALA CA C 60 54.245 54.245 53.954 0.291 18733 5764 1 16 . 1 1 60 60 ALA CB C 60 18.161 18.161 18.463 -0.302 18733 5765 1 16 . 1 1 61 61 LYS N N 61 115.215 115.215 116.711 -1.496 18733 5766 1 16 . 1 1 61 61 LYS HA H 61 4.517 4.517 4.607 -0.090 18733 5767 1 16 . 1 1 61 61 LYS CA C 61 54.188 54.188 55.466 -1.278 18733 5768 1 16 . 1 1 61 61 LYS CB C 61 33.239 33.239 32.531 0.708 18733 5769 1 16 . 1 1 62 62 LYS N N 62 122.199 122.199 120.605 1.594 18733 5770 1 16 . 1 1 62 62 LYS HA H 62 3.582 3.582 3.994 -0.412 18733 5771 1 16 . 1 1 62 62 LYS CA C 62 61.271 61.271 59.840 1.431 18733 5772 1 16 . 1 1 62 62 LYS CB C 62 33.052 33.052 31.532 1.520 18733 5773 1 16 . 1 1 63 63 GLN N N 63 117.101 117.101 117.653 -0.552 18733 5774 1 16 . 1 1 63 63 GLN HA H 63 3.767 3.767 4.113 -0.346 18733 5775 1 16 . 1 1 63 63 GLN CA C 63 58.948 58.948 58.107 0.841 18733 5776 1 16 . 1 1 63 63 GLN CB C 63 27.823 27.823 28.013 -0.190 18733 5777 1 16 . 1 1 64 64 GLU N N 64 119.459 119.459 117.941 1.518 18733 5778 1 16 . 1 1 64 64 GLU HA H 64 4.035 4.035 4.212 -0.177 18733 5779 1 16 . 1 1 64 64 GLU CA C 64 59.672 59.672 58.874 0.798 18733 5780 1 16 . 1 1 64 64 GLU CB C 64 29.755 29.755 29.852 -0.097 18733 5781 1 16 . 1 1 65 65 MET N N 65 118.493 118.493 117.448 1.045 18733 5782 1 16 . 1 1 65 65 MET HA H 65 4.077 4.077 4.199 -0.122 18733 5783 1 16 . 1 1 65 65 MET CA C 65 59.488 59.488 58.477 1.011 18733 5784 1 16 . 1 1 65 65 MET CB C 65 34.335 34.335 32.661 1.674 18733 5785 1 16 . 1 1 66 66 MET N N 66 117.848 117.848 115.931 1.917 18733 5786 1 16 . 1 1 66 66 MET HA H 66 4.127 4.127 4.213 -0.086 18733 5787 1 16 . 1 1 66 66 MET CA C 66 59.790 59.790 56.816 2.974 18733 5788 1 16 . 1 1 66 66 MET CB C 66 31.196 31.196 32.059 -0.863 18733 5789 1 16 . 1 1 67 67 ASP N N 67 118.987 118.987 120.651 -1.664 18733 5790 1 16 . 1 1 67 67 ASP HA H 67 4.283 4.283 4.507 -0.224 18733 5791 1 16 . 1 1 67 67 ASP CA C 67 57.892 57.892 56.051 1.841 18733 5792 1 16 . 1 1 67 67 ASP CB C 67 39.885 39.885 41.711 -1.826 18733 5793 1 16 . 1 1 68 68 TYR N N 68 119.790 119.790 114.453 5.337 18733 5794 1 16 . 1 1 68 68 TYR HA H 68 4.118 4.118 4.810 -0.692 18733 5795 1 16 . 1 1 68 68 TYR CA C 68 61.588 61.588 57.051 4.537 18733 5796 1 16 . 1 1 68 68 TYR CB C 68 37.806 37.806 39.008 -1.202 18733 5797 1 16 . 1 1 69 69 TYR N N 69 118.552 118.552 120.407 -1.855 18733 5798 1 16 . 1 1 69 69 TYR HA H 69 4.057 4.057 3.731 0.326 18733 5799 1 16 . 1 1 69 69 TYR CA C 69 62.536 62.536 60.143 2.393 18733 5800 1 16 . 1 1 69 69 TYR CB C 69 37.582 37.582 37.667 -0.085 18733 5801 1 16 . 1 1 70 70 MET N N 70 117.939 117.939 117.081 0.858 18733 5802 1 16 . 1 1 70 70 MET HA H 70 4.489 4.489 4.140 0.349 18733 5803 1 16 . 1 1 70 70 MET CA C 70 58.947 58.947 58.290 0.657 18733 5804 1 16 . 1 1 70 70 MET CB C 70 31.380 31.380 32.503 -1.123 18733 5805 1 16 . 1 1 71 71 ASP N N 71 120.118 120.118 118.346 1.772 18733 5806 1 16 . 1 1 71 71 ASP HA H 71 4.390 4.390 4.790 -0.400 18733 5807 1 16 . 1 1 71 71 ASP CA C 71 57.730 57.730 54.621 3.109 18733 5808 1 16 . 1 1 71 71 ASP CB C 71 40.050 40.050 40.080 -0.029 18733 5809 1 16 . 1 1 72 72 ARG N N 72 118.091 118.091 119.790 -1.699 18733 5810 1 16 . 1 1 72 72 ARG HA H 72 4.107 4.107 4.597 -0.490 18733 5811 1 16 . 1 1 72 72 ARG CA C 72 58.260 58.260 56.231 2.029 18733 5812 1 16 . 1 1 72 72 ARG CB C 72 31.091 31.091 31.874 -0.783 18733 5813 1 16 . 1 1 73 73 TYR N N 73 121.878 121.878 118.820 3.058 18733 5814 1 16 . 1 1 73 73 TYR HA H 73 4.178 4.178 4.692 -0.514 18733 5815 1 16 . 1 1 73 73 TYR CA C 73 61.440 61.440 55.087 6.353 18733 5816 1 16 . 1 1 73 73 TYR CB C 73 38.677 38.677 37.539 1.138 18733 5817 1 16 . 1 1 74 74 LYS N N 74 119.791 119.791 122.605 -2.814 18733 5818 1 16 . 1 1 74 74 LYS HA H 74 3.564 3.564 3.664 -0.100 18733 5819 1 16 . 1 1 74 74 LYS CA C 74 60.621 60.621 60.145 0.476 18733 5820 1 16 . 1 1 74 74 LYS CB C 74 32.225 32.225 32.237 -0.012 18733 5821 1 16 . 1 1 75 75 GLU N N 75 116.140 116.140 117.045 -0.905 18733 5822 1 16 . 1 1 75 75 GLU HA H 75 4.004 4.004 4.120 -0.116 18733 5823 1 16 . 1 1 75 75 GLU CA C 75 59.293 59.293 58.703 0.590 18733 5824 1 16 . 1 1 75 75 GLU CB C 75 29.627 29.627 28.741 0.886 18733 5825 1 16 . 1 1 76 76 MET N N 76 119.200 119.200 117.750 1.450 18733 5826 1 16 . 1 1 76 76 MET HA H 76 4.250 4.250 4.361 -0.111 18733 5827 1 16 . 1 1 76 76 MET CA C 76 60.058 60.058 57.812 2.246 18733 5828 1 16 . 1 1 76 76 MET CB C 76 32.751 32.751 32.640 0.111 18733 5829 1 16 . 1 1 77 77 LEU N N 77 125.191 125.191 119.789 5.402 18733 5830 1 16 . 1 1 77 77 LEU HA H 77 3.703 3.703 4.094 -0.391 18733 5831 1 16 . 1 1 77 77 LEU CA C 77 58.589 58.589 57.124 1.465 18733 5832 1 16 . 1 1 77 77 LEU CB C 77 41.650 41.650 42.134 -0.484 18733 5833 1 16 . 1 1 78 78 ASP N N 78 119.843 119.843 120.674 -0.831 18733 5834 1 16 . 1 1 78 78 ASP HA H 78 4.177 4.177 4.283 -0.106 18733 5835 1 16 . 1 1 78 78 ASP CA C 78 58.584 58.584 57.371 1.213 18733 5836 1 16 . 1 1 78 78 ASP CB C 78 42.352 42.352 40.754 1.598 18733 5837 1 16 . 1 1 79 79 ALA N N 79 117.168 117.168 120.238 -3.070 18733 5838 1 16 . 1 1 79 79 ALA HA H 79 4.077 4.077 4.149 -0.072 18733 5839 1 16 . 1 1 79 79 ALA CA C 79 55.317 55.317 54.226 1.091 18733 5840 1 16 . 1 1 79 79 ALA CB C 79 18.335 18.335 18.767 -0.433 18733 5841 1 16 . 1 1 80 80 ASN N N 80 115.882 115.882 114.090 1.792 18733 5842 1 16 . 1 1 80 80 ASN HA H 80 4.416 4.416 4.934 -0.518 18733 5843 1 16 . 1 1 80 80 ASN CA C 80 57.791 57.791 53.438 4.353 18733 5844 1 16 . 1 1 80 80 ASN CB C 80 40.251 40.251 40.038 0.213 18733 5845 1 16 . 1 1 81 81 MET N N 81 120.945 120.945 119.939 1.006 18733 5846 1 16 . 1 1 81 81 MET HA H 81 4.129 4.129 4.396 -0.267 18733 5847 1 16 . 1 1 81 81 MET CA C 81 58.954 58.954 57.092 1.862 18733 5848 1 16 . 1 1 81 81 MET CB C 81 31.937 31.937 31.955 -0.018 18733 5849 1 16 . 1 1 82 82 GLU N N 82 116.578 116.578 118.203 -1.625 18733 5850 1 16 . 1 1 82 82 GLU HA H 82 3.979 3.979 4.282 -0.303 18733 5851 1 16 . 1 1 82 82 GLU CA C 82 59.214 59.214 56.499 2.715 18733 5852 1 16 . 1 1 82 82 GLU CB C 82 29.207 29.207 29.401 -0.194 18733 5853 1 16 . 1 1 83 83 ASP N N 83 119.199 119.199 121.365 -2.166 18733 5854 1 16 . 1 1 83 83 ASP HA H 83 4.399 4.399 4.572 -0.173 18733 5855 1 16 . 1 1 83 83 ASP CA C 83 57.554 57.554 56.770 0.784 18733 5856 1 16 . 1 1 83 83 ASP CB C 83 42.088 42.088 40.917 1.171 18733 5857 1 16 . 1 1 84 84 TYR N N 84 117.904 117.904 117.757 0.147 18733 5858 1 16 . 1 1 84 84 TYR HA H 84 3.931 3.931 4.423 -0.492 18733 5859 1 16 . 1 1 84 84 TYR CA C 84 63.663 63.663 60.083 3.580 18733 5860 1 16 . 1 1 84 84 TYR CB C 84 39.134 39.134 36.521 2.613 18733 5861 1 16 . 1 1 85 85 ILE N N 85 116.362 116.362 118.272 -1.910 18733 5862 1 16 . 1 1 85 85 ILE HA H 85 3.752 3.752 3.945 -0.193 18733 5863 1 16 . 1 1 85 85 ILE CA C 85 66.287 66.287 63.309 2.978 18733 5864 1 16 . 1 1 85 85 ILE CB C 85 38.815 38.815 38.650 0.165 18733 5865 1 16 . 1 1 86 86 GLU N N 86 117.696 117.696 118.661 -0.965 18733 5866 1 16 . 1 1 86 86 GLU HA H 86 3.896 3.896 4.156 -0.260 18733 5867 1 16 . 1 1 86 86 GLU CA C 86 59.290 59.290 58.865 0.425 18733 5868 1 16 . 1 1 86 86 GLU CB C 86 29.660 29.660 29.238 0.423 18733 5869 1 16 . 1 1 87 87 ASN N N 87 113.943 113.943 115.769 -1.826 18733 5870 1 16 . 1 1 87 87 ASN HA H 87 4.933 4.933 4.815 0.118 18733 5871 1 16 . 1 1 87 87 ASN CA C 87 52.462 52.462 54.051 -1.589 18733 5872 1 16 . 1 1 87 87 ASN CB C 87 38.847 38.847 39.756 -0.909 18733 5873 1 16 . 1 1 88 88 PHE N N 88 123.733 123.733 122.968 0.765 18733 5874 1 16 . 1 1 88 88 PHE HA H 88 4.141 4.141 4.347 -0.206 18733 5875 1 16 . 1 1 88 88 PHE CA C 88 63.888 63.888 62.363 1.525 18733 5876 1 16 . 1 1 88 88 PHE CB C 88 41.768 41.768 39.275 2.493 18733 5877 1 16 . 1 1 89 89 ASP N N 89 117.257 117.257 117.141 0.116 18733 5878 1 16 . 1 1 89 89 ASP HA H 89 4.386 4.386 4.162 0.224 18733 5879 1 16 . 1 1 89 89 ASP CA C 89 57.468 57.468 57.511 -0.043 18733 5880 1 16 . 1 1 89 89 ASP CB C 89 39.886 39.886 40.572 -0.686 18733 5881 1 16 . 1 1 90 90 HIS N N 90 121.385 121.385 118.400 2.985 18733 5882 1 16 . 1 1 90 90 HIS HA H 90 4.294 4.294 4.307 -0.013 18733 5883 1 16 . 1 1 90 90 HIS CA C 90 59.081 59.081 59.141 -0.060 18733 5884 1 16 . 1 1 90 90 HIS CB C 90 29.949 29.949 30.561 -0.612 18733 5885 1 16 . 1 1 91 91 TYR N N 91 118.440 118.440 120.266 -1.826 18733 5886 1 16 . 1 1 91 91 TYR HA H 91 4.192 4.192 4.565 -0.373 18733 5887 1 16 . 1 1 91 91 TYR CA C 91 59.618 59.618 61.146 -1.528 18733 5888 1 16 . 1 1 91 91 TYR CB C 91 36.860 36.860 38.179 -1.319 18733 5889 1 16 . 1 1 92 92 ARG N N 92 119.028 119.028 118.487 0.541 18733 5890 1 16 . 1 1 92 92 ARG HA H 92 4.023 4.023 3.931 0.092 18733 5891 1 16 . 1 1 92 92 ARG CA C 92 57.308 57.308 58.002 -0.694 18733 5892 1 16 . 1 1 92 92 ARG CB C 92 29.129 29.129 29.472 -0.343 18733 5893 1 16 . 1 1 93 93 ALA N N 93 120.513 120.513 119.700 0.813 18733 5894 1 16 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.268 -0.057 18733 5895 1 16 . 1 1 93 93 ALA CA C 93 53.603 53.603 53.513 0.090 18733 5896 1 16 . 1 1 93 93 ALA CB C 93 18.864 18.864 19.930 -1.066 18733 5897 1 16 . 1 1 94 94 THR N N 94 108.668 108.668 110.434 -1.766 18733 5898 1 16 . 1 1 94 94 THR HA H 94 4.249 4.249 4.219 0.030 18733 5899 1 16 . 1 1 94 94 THR CA C 94 62.170 62.170 61.886 0.284 18733 5900 1 16 . 1 1 94 94 THR CB C 94 70.164 70.164 69.204 0.961 18733 5901 1 16 . 1 1 95 95 GLN N N 95 122.873 122.873 121.824 1.049 18733 5902 1 16 . 1 1 95 95 GLN HA H 95 4.288 4.288 4.220 0.068 18733 5903 1 16 . 1 1 95 95 GLN CA C 95 56.073 56.073 56.514 -0.441 18733 5904 1 16 . 1 1 95 95 GLN CB C 95 28.903 28.903 29.350 -0.447 18733 5905 1 17 . 1 1 2 2 ASN HA H 2 4.590 4.590 4.622 -0.032 18733 5906 1 17 . 1 1 2 2 ASN CA C 2 53.554 53.554 53.731 -0.177 18733 5907 1 17 . 1 1 2 2 ASN CB C 2 38.650 38.650 39.038 -0.387 18733 5908 1 17 . 1 1 3 3 ASN HA H 3 4.526 4.526 4.879 -0.353 18733 5909 1 17 . 1 1 3 3 ASN CA C 3 53.720 53.720 52.995 0.725 18733 5910 1 17 . 1 1 3 3 ASN CB C 3 38.473 38.473 40.408 -1.935 18733 5911 1 17 . 1 1 4 4 GLU N N 4 121.638 121.638 124.871 -3.233 18733 5912 1 17 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.385 -0.299 18733 5913 1 17 . 1 1 4 4 GLU CA C 4 57.656 57.656 55.151 2.505 18733 5914 1 17 . 1 1 4 4 GLU CB C 4 29.649 29.649 28.241 1.408 18733 5915 1 17 . 1 1 5 5 ASN N N 5 118.543 118.543 117.495 1.048 18733 5916 1 17 . 1 1 5 5 ASN HA H 5 4.531 4.531 4.442 0.089 18733 5917 1 17 . 1 1 5 5 ASN CA C 5 55.114 55.114 53.570 1.544 18733 5918 1 17 . 1 1 5 5 ASN CB C 5 38.417 38.417 38.550 -0.133 18733 5919 1 17 . 1 1 6 6 ALA N N 6 123.531 123.531 119.284 4.247 18733 5920 1 17 . 1 1 6 6 ALA HA H 6 4.057 4.057 4.251 -0.194 18733 5921 1 17 . 1 1 6 6 ALA CA C 6 55.266 55.266 51.500 3.766 18733 5922 1 17 . 1 1 6 6 ALA CB C 6 18.099 18.099 19.921 -1.822 18733 5923 1 17 . 1 1 7 7 PHE N N 7 119.588 119.588 117.403 2.185 18733 5924 1 17 . 1 1 7 7 PHE HA H 7 3.777 3.777 4.889 -1.112 18733 5925 1 17 . 1 1 7 7 PHE CA C 7 61.179 61.179 54.210 6.969 18733 5926 1 17 . 1 1 7 7 PHE CB C 7 38.947 38.947 36.335 2.612 18733 5927 1 17 . 1 1 8 8 TYR N N 8 116.300 116.300 123.421 -7.121 18733 5928 1 17 . 1 1 8 8 TYR HA H 8 4.007 4.007 4.102 -0.095 18733 5929 1 17 . 1 1 8 8 TYR CA C 8 61.117 61.117 63.249 -2.132 18733 5930 1 17 . 1 1 8 8 TYR CB C 8 37.370 37.370 37.589 -0.219 18733 5931 1 17 . 1 1 9 9 ALA N N 9 124.516 124.516 117.157 7.359 18733 5932 1 17 . 1 1 9 9 ALA HA H 9 4.074 4.074 4.204 -0.130 18733 5933 1 17 . 1 1 9 9 ALA CA C 9 55.415 55.415 53.891 1.524 18733 5934 1 17 . 1 1 9 9 ALA CB C 9 17.797 17.797 18.534 -0.737 18733 5935 1 17 . 1 1 10 10 ARG N N 10 118.255 118.255 117.713 0.542 18733 5936 1 17 . 1 1 10 10 ARG HA H 10 3.857 3.857 4.517 -0.660 18733 5937 1 17 . 1 1 10 10 ARG CA C 10 60.070 60.070 57.532 2.538 18733 5938 1 17 . 1 1 10 10 ARG CB C 10 31.179 31.179 31.314 -0.135 18733 5939 1 17 . 1 1 11 11 ALA N N 11 119.258 119.258 122.792 -3.534 18733 5940 1 17 . 1 1 11 11 ALA HA H 11 4.079 4.079 4.063 0.016 18733 5941 1 17 . 1 1 11 11 ALA CA C 11 55.152 55.152 55.126 0.026 18733 5942 1 17 . 1 1 11 11 ALA CB C 11 19.072 19.072 17.885 1.187 18733 5943 1 17 . 1 1 12 12 THR N N 12 114.669 114.669 112.841 1.828 18733 5944 1 17 . 1 1 12 12 THR HA H 12 3.761 3.761 4.084 -0.323 18733 5945 1 17 . 1 1 12 12 THR CA C 12 67.028 67.028 65.758 1.270 18733 5946 1 17 . 1 1 12 12 THR CB C 12 68.661 68.661 68.703 -0.041 18733 5947 1 17 . 1 1 13 13 GLU N N 13 120.838 120.838 120.077 0.761 18733 5948 1 17 . 1 1 13 13 GLU HA H 13 3.782 3.782 4.232 -0.450 18733 5949 1 17 . 1 1 13 13 GLU CA C 13 59.781 59.781 58.298 1.483 18733 5950 1 17 . 1 1 13 13 GLU CB C 13 29.713 29.713 29.434 0.279 18733 5951 1 17 . 1 1 14 14 LEU N N 14 119.831 119.831 120.317 -0.486 18733 5952 1 17 . 1 1 14 14 LEU HA H 14 3.616 3.616 4.207 -0.591 18733 5953 1 17 . 1 1 14 14 LEU CA C 14 58.363 58.363 57.491 0.872 18733 5954 1 17 . 1 1 14 14 LEU CB C 14 42.109 42.109 41.691 0.418 18733 5955 1 17 . 1 1 15 15 ILE N N 15 119.150 119.150 117.767 1.383 18733 5956 1 17 . 1 1 15 15 ILE HA H 15 3.376 3.376 3.569 -0.193 18733 5957 1 17 . 1 1 15 15 ILE CA C 15 66.274 66.274 64.529 1.745 18733 5958 1 17 . 1 1 15 15 ILE CB C 15 38.343 38.343 37.248 1.095 18733 5959 1 17 . 1 1 16 16 LYS N N 16 118.734 118.734 119.344 -0.610 18733 5960 1 17 . 1 1 16 16 LYS HA H 16 3.808 3.808 4.023 -0.215 18733 5961 1 17 . 1 1 16 16 LYS CA C 16 59.950 59.950 58.907 1.043 18733 5962 1 17 . 1 1 16 16 LYS CB C 16 32.109 32.109 31.757 0.352 18733 5963 1 17 . 1 1 17 17 LEU N N 17 121.376 121.376 119.675 1.701 18733 5964 1 17 . 1 1 17 17 LEU HA H 17 4.017 4.017 4.230 -0.213 18733 5965 1 17 . 1 1 17 17 LEU CA C 17 57.733 57.733 57.411 0.322 18733 5966 1 17 . 1 1 17 17 LEU CB C 17 40.385 40.385 41.130 -0.745 18733 5967 1 17 . 1 1 18 18 ALA N N 18 123.298 123.298 122.021 1.277 18733 5968 1 17 . 1 1 18 18 ALA HA H 18 3.547 3.547 4.115 -0.568 18733 5969 1 17 . 1 1 18 18 ALA CA C 18 55.031 55.031 55.014 0.017 18733 5970 1 17 . 1 1 18 18 ALA CB C 18 17.716 17.716 18.701 -0.986 18733 5971 1 17 . 1 1 19 19 ASN N N 19 114.581 114.581 117.199 -2.618 18733 5972 1 17 . 1 1 19 19 ASN HA H 19 4.504 4.504 4.382 0.122 18733 5973 1 17 . 1 1 19 19 ASN CA C 19 55.633 55.633 56.053 -0.420 18733 5974 1 17 . 1 1 19 19 ASN CB C 19 37.683 37.683 37.934 -0.251 18733 5975 1 17 . 1 1 20 20 GLN N N 20 122.054 122.054 117.974 4.080 18733 5976 1 17 . 1 1 20 20 GLN HA H 20 3.959 3.959 4.130 -0.171 18733 5977 1 17 . 1 1 20 20 GLN CA C 20 58.913 58.913 58.173 0.740 18733 5978 1 17 . 1 1 20 20 GLN CB C 20 28.293 28.293 28.238 0.055 18733 5979 1 17 . 1 1 21 21 GLN N N 21 120.962 120.962 116.915 4.047 18733 5980 1 17 . 1 1 21 21 GLN HA H 21 3.863 3.863 4.229 -0.366 18733 5981 1 17 . 1 1 21 21 GLN CA C 21 58.371 58.371 57.676 0.695 18733 5982 1 17 . 1 1 21 21 GLN CB C 21 27.603 27.603 28.715 -1.112 18733 5983 1 17 . 1 1 22 22 ASN N N 22 114.486 114.486 117.823 -3.337 18733 5984 1 17 . 1 1 22 22 ASN HA H 22 4.550 4.550 4.521 0.029 18733 5985 1 17 . 1 1 22 22 ASN CA C 22 53.545 53.545 54.888 -1.343 18733 5986 1 17 . 1 1 22 22 ASN CB C 22 39.752 39.752 38.572 1.180 18733 5987 1 17 . 1 1 23 23 GLN N N 23 117.002 117.002 116.442 0.560 18733 5988 1 17 . 1 1 23 23 GLN HA H 23 4.121 4.121 4.259 -0.138 18733 5989 1 17 . 1 1 23 23 GLN CA C 23 56.336 56.336 55.992 0.344 18733 5990 1 17 . 1 1 23 23 GLN CB C 23 28.367 28.367 28.603 -0.236 18733 5991 1 17 . 1 1 24 24 ASN N N 24 117.868 117.868 119.681 -1.813 18733 5992 1 17 . 1 1 24 24 ASN HA H 24 4.554 4.554 4.711 -0.157 18733 5993 1 17 . 1 1 24 24 ASN CA C 24 53.550 53.550 53.838 -0.288 18733 5994 1 17 . 1 1 24 24 ASN CB C 24 38.856 38.856 39.109 -0.254 18733 5995 1 17 . 1 1 25 25 THR N N 25 115.612 115.612 120.563 -4.951 18733 5996 1 17 . 1 1 25 25 THR HA H 25 4.193 4.193 4.042 0.151 18733 5997 1 17 . 1 1 25 25 THR CA C 25 63.026 63.026 65.037 -2.011 18733 5998 1 17 . 1 1 25 25 THR CB C 25 69.388 69.388 69.159 0.229 18733 5999 1 17 . 1 1 26 26 GLU N N 26 119.600 119.600 118.115 1.485 18733 6000 1 17 . 1 1 26 26 GLU HA H 26 4.213 4.213 4.257 -0.044 18733 6001 1 17 . 1 1 26 26 GLU CA C 26 56.803 56.803 56.627 0.176 18733 6002 1 17 . 1 1 26 26 GLU CB C 26 29.566 29.566 29.654 -0.088 18733 6003 1 17 . 1 1 27 27 ILE N N 27 118.383 118.383 121.024 -2.641 18733 6004 1 17 . 1 1 27 27 ILE HA H 27 4.320 4.320 4.131 0.189 18733 6005 1 17 . 1 1 27 27 ILE CA C 27 59.638 59.638 60.572 -0.934 18733 6006 1 17 . 1 1 27 27 ILE CB C 27 39.531 39.531 38.797 0.734 18733 6007 1 17 . 1 1 28 28 GLN N N 28 122.321 122.321 124.187 -1.866 18733 6008 1 17 . 1 1 28 28 GLN HA H 28 4.593 4.593 4.427 0.166 18733 6009 1 17 . 1 1 28 28 GLN CA C 28 54.684 54.684 55.530 -0.846 18733 6010 1 17 . 1 1 28 28 GLN CB C 28 30.183 30.183 29.824 0.359 18733 6011 1 17 . 1 1 29 29 THR N N 29 119.517 119.517 117.695 1.822 18733 6012 1 17 . 1 1 29 29 THR HA H 29 3.916 3.916 4.049 -0.133 18733 6013 1 17 . 1 1 29 29 THR CA C 29 65.895 65.895 66.755 -0.860 18733 6014 1 17 . 1 1 29 29 THR CB C 29 68.708 68.708 68.478 0.230 18733 6015 1 17 . 1 1 30 30 GLY N N 30 109.285 109.285 107.688 1.597 18733 6016 1 17 . 1 1 30 30 GLY CA C 30 47.126 47.126 46.412 0.714 18733 6017 1 17 . 1 1 31 31 GLU N N 31 120.940 120.940 121.229 -0.289 18733 6018 1 17 . 1 1 31 31 GLU HA H 31 4.259 4.259 4.208 0.051 18733 6019 1 17 . 1 1 31 31 GLU CA C 31 59.424 59.424 58.711 0.713 18733 6020 1 17 . 1 1 31 31 GLU CB C 31 29.410 29.410 29.239 0.171 18733 6021 1 17 . 1 1 32 32 VAL N N 32 122.718 122.718 120.131 2.587 18733 6022 1 17 . 1 1 32 32 VAL HA H 32 3.568 3.568 3.823 -0.255 18733 6023 1 17 . 1 1 32 32 VAL CA C 32 66.122 66.122 65.875 0.247 18733 6024 1 17 . 1 1 32 32 VAL CB C 32 31.157 31.157 31.631 -0.474 18733 6025 1 17 . 1 1 33 33 SER N N 33 114.886 114.886 116.386 -1.500 18733 6026 1 17 . 1 1 33 33 SER HA H 33 4.112 4.112 4.138 -0.026 18733 6027 1 17 . 1 1 33 33 SER CA C 33 62.119 62.119 62.220 -0.101 18733 6028 1 17 . 1 1 33 33 SER CB C 33 63.293 63.293 62.825 0.468 18733 6029 1 17 . 1 1 34 34 ALA N N 34 121.240 121.240 123.710 -2.470 18733 6030 1 17 . 1 1 34 34 ALA HA H 34 4.505 4.505 4.292 0.213 18733 6031 1 17 . 1 1 34 34 ALA CA C 34 55.790 55.790 54.891 0.899 18733 6032 1 17 . 1 1 34 34 ALA CB C 34 18.845 18.845 18.095 0.750 18733 6033 1 17 . 1 1 35 35 SER N N 35 111.131 111.131 115.494 -4.363 18733 6034 1 17 . 1 1 35 35 SER HA H 35 3.420 3.420 4.375 -0.955 18733 6035 1 17 . 1 1 35 35 SER CA C 35 61.316 61.316 61.802 -0.486 18733 6036 1 17 . 1 1 35 35 SER CB C 35 62.547 62.547 63.228 -0.681 18733 6037 1 17 . 1 1 36 36 PHE N N 36 127.676 127.676 122.983 4.693 18733 6038 1 17 . 1 1 36 36 PHE HA H 36 4.490 4.490 4.252 0.238 18733 6039 1 17 . 1 1 36 36 PHE CA C 36 57.592 57.592 61.647 -4.054 18733 6040 1 17 . 1 1 36 36 PHE CB C 36 38.111 38.111 39.366 -1.255 18733 6041 1 17 . 1 1 37 37 MET N N 37 119.851 119.851 120.118 -0.267 18733 6042 1 17 . 1 1 37 37 MET HA H 37 3.859 3.859 4.125 -0.266 18733 6043 1 17 . 1 1 37 37 MET CA C 37 59.444 59.444 59.471 -0.027 18733 6044 1 17 . 1 1 37 37 MET CB C 37 33.517 33.517 32.773 0.744 18733 6045 1 17 . 1 1 38 38 TRP N N 38 121.153 121.153 121.232 -0.079 18733 6046 1 17 . 1 1 38 38 TRP HA H 38 3.981 3.981 4.203 -0.222 18733 6047 1 17 . 1 1 38 38 TRP CA C 38 62.129 62.129 60.178 1.951 18733 6048 1 17 . 1 1 38 38 TRP CB C 38 29.930 29.930 29.886 0.044 18733 6049 1 17 . 1 1 39 39 ALA N N 39 119.518 119.518 121.942 -2.424 18733 6050 1 17 . 1 1 39 39 ALA HA H 39 3.880 3.880 3.682 0.198 18733 6051 1 17 . 1 1 39 39 ALA CA C 39 55.231 55.231 54.734 0.497 18733 6052 1 17 . 1 1 39 39 ALA CB C 39 20.477 20.477 17.757 2.720 18733 6053 1 17 . 1 1 40 40 LEU N N 40 116.794 116.794 119.881 -3.087 18733 6054 1 17 . 1 1 40 40 LEU HA H 40 2.741 2.741 3.852 -1.111 18733 6055 1 17 . 1 1 40 40 LEU CA C 40 56.979 56.979 57.103 -0.124 18733 6056 1 17 . 1 1 40 40 LEU CB C 40 40.563 40.563 41.289 -0.726 18733 6057 1 17 . 1 1 41 41 ALA N N 41 120.249 120.249 121.303 -1.054 18733 6058 1 17 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.905 -0.242 18733 6059 1 17 . 1 1 41 41 ALA CA C 41 54.943 54.943 55.018 -0.075 18733 6060 1 17 . 1 1 41 41 ALA CB C 41 17.512 17.512 18.077 -0.565 18733 6061 1 17 . 1 1 42 42 ARG N N 42 118.787 118.787 117.397 1.390 18733 6062 1 17 . 1 1 42 42 ARG HA H 42 3.315 3.315 3.846 -0.531 18733 6063 1 17 . 1 1 42 42 ARG CA C 42 60.027 60.027 58.475 1.552 18733 6064 1 17 . 1 1 42 42 ARG CB C 42 29.084 29.084 30.070 -0.986 18733 6065 1 17 . 1 1 43 43 TYR N N 43 122.429 122.429 118.923 3.506 18733 6066 1 17 . 1 1 43 43 TYR HA H 43 3.956 3.956 4.219 -0.263 18733 6067 1 17 . 1 1 43 43 TYR CA C 43 63.225 63.225 60.577 2.648 18733 6068 1 17 . 1 1 43 43 TYR CB C 43 39.819 39.819 39.036 0.783 18733 6069 1 17 . 1 1 44 44 ASN N N 44 116.736 116.736 118.793 -2.057 18733 6070 1 17 . 1 1 44 44 ASN HA H 44 4.170 4.170 4.534 -0.364 18733 6071 1 17 . 1 1 44 44 ASN CA C 44 56.267 56.267 55.632 0.635 18733 6072 1 17 . 1 1 44 44 ASN CB C 44 37.894 37.894 38.149 -0.255 18733 6073 1 17 . 1 1 45 45 ALA N N 45 124.950 124.950 121.921 3.029 18733 6074 1 17 . 1 1 45 45 ALA HA H 45 3.862 3.862 4.189 -0.327 18733 6075 1 17 . 1 1 45 45 ALA CA C 45 55.465 55.465 54.205 1.260 18733 6076 1 17 . 1 1 45 45 ALA CB C 45 18.587 18.587 17.959 0.628 18733 6077 1 17 . 1 1 46 46 TRP N N 46 119.686 119.686 121.740 -2.054 18733 6078 1 17 . 1 1 46 46 TRP HA H 46 2.849 2.849 4.182 -1.333 18733 6079 1 17 . 1 1 46 46 TRP CA C 46 60.783 60.783 60.463 0.320 18733 6080 1 17 . 1 1 46 46 TRP CB C 46 26.470 26.470 28.863 -2.393 18733 6081 1 17 . 1 1 47 47 PHE N N 47 121.090 121.090 117.575 3.515 18733 6082 1 17 . 1 1 47 47 PHE HA H 47 2.939 2.939 4.081 -1.142 18733 6083 1 17 . 1 1 47 47 PHE CA C 47 59.116 59.116 60.796 -1.680 18733 6084 1 17 . 1 1 47 47 PHE CB C 47 38.212 38.212 38.377 -0.165 18733 6085 1 17 . 1 1 48 48 GLY N N 48 109.386 109.386 107.816 1.570 18733 6086 1 17 . 1 1 48 48 GLY CA C 48 47.209 47.209 47.072 0.137 18733 6087 1 17 . 1 1 49 49 SER N N 49 118.098 118.098 114.129 3.969 18733 6088 1 17 . 1 1 49 49 SER CA C 49 62.016 62.016 60.312 1.704 18733 6089 1 17 . 1 1 49 49 SER CB C 49 63.411 63.411 63.030 0.381 18733 6090 1 17 . 1 1 50 50 THR N N 50 110.801 110.801 113.594 -2.793 18733 6091 1 17 . 1 1 50 50 THR HA H 50 3.851 3.851 4.473 -0.622 18733 6092 1 17 . 1 1 50 50 THR CA C 50 63.914 63.914 60.915 2.999 18733 6093 1 17 . 1 1 50 50 THR CB C 50 69.676 69.676 69.106 0.570 18733 6094 1 17 . 1 1 51 51 SER N N 51 115.249 115.249 116.997 -1.748 18733 6095 1 17 . 1 1 51 51 SER HA H 51 3.990 3.990 4.508 -0.518 18733 6096 1 17 . 1 1 51 51 SER CA C 51 59.360 59.360 60.150 -0.790 18733 6097 1 17 . 1 1 51 51 SER CB C 51 63.142 63.142 64.303 -1.161 18733 6098 1 17 . 1 1 52 52 PHE N N 52 118.004 118.004 117.220 0.784 18733 6099 1 17 . 1 1 52 52 PHE HA H 52 4.861 4.861 4.681 0.180 18733 6100 1 17 . 1 1 52 52 PHE CA C 52 57.045 57.045 57.309 -0.264 18733 6101 1 17 . 1 1 52 52 PHE CB C 52 42.165 42.165 41.970 0.195 18733 6102 1 17 . 1 1 53 53 GLU N N 53 119.224 119.224 118.596 0.628 18733 6103 1 17 . 1 1 53 53 GLU HA H 53 4.415 4.415 4.402 0.013 18733 6104 1 17 . 1 1 53 53 GLU CA C 53 57.653 57.653 56.667 0.986 18733 6105 1 17 . 1 1 53 53 GLU CB C 53 31.679 31.679 30.456 1.223 18733 6106 1 17 . 1 1 54 54 THR N N 54 105.230 105.230 110.452 -5.222 18733 6107 1 17 . 1 1 54 54 THR HA H 54 4.529 4.529 4.667 -0.138 18733 6108 1 17 . 1 1 54 54 THR CA C 54 58.360 58.360 59.837 -1.476 18733 6109 1 17 . 1 1 54 54 THR CB C 54 73.366 73.366 71.989 1.377 18733 6110 1 17 . 1 1 55 55 LYS N N 55 122.509 122.509 123.453 -0.944 18733 6111 1 17 . 1 1 55 55 LYS HA H 55 2.752 2.752 4.040 -1.288 18733 6112 1 17 . 1 1 55 55 LYS CA C 55 58.567 58.567 59.216 -0.649 18733 6113 1 17 . 1 1 55 55 LYS CB C 55 32.829 32.829 31.430 1.399 18733 6114 1 17 . 1 1 56 56 GLU N N 56 117.867 117.867 118.551 -0.684 18733 6115 1 17 . 1 1 56 56 GLU HA H 56 3.785 3.785 4.034 -0.249 18733 6116 1 17 . 1 1 56 56 GLU CA C 56 60.334 60.334 59.422 0.912 18733 6117 1 17 . 1 1 56 56 GLU CB C 56 28.185 28.185 29.210 -1.025 18733 6118 1 17 . 1 1 57 57 GLN N N 57 119.487 119.487 118.048 1.439 18733 6119 1 17 . 1 1 57 57 GLN HA H 57 3.788 3.788 3.872 -0.084 18733 6120 1 17 . 1 1 57 57 GLN CA C 57 58.056 58.056 57.457 0.599 18733 6121 1 17 . 1 1 57 57 GLN CB C 57 28.577 28.577 28.665 -0.088 18733 6122 1 17 . 1 1 58 58 MET N N 58 118.284 118.284 120.480 -2.196 18733 6123 1 17 . 1 1 58 58 MET HA H 58 2.029 2.029 4.227 -2.198 18733 6124 1 17 . 1 1 58 58 MET CA C 58 58.862 58.862 58.804 0.058 18733 6125 1 17 . 1 1 58 58 MET CB C 58 30.814 30.814 32.945 -2.131 18733 6126 1 17 . 1 1 59 59 GLN N N 59 116.663 116.663 119.183 -2.520 18733 6127 1 17 . 1 1 59 59 GLN HA H 59 3.578 3.578 4.091 -0.513 18733 6128 1 17 . 1 1 59 59 GLN CA C 59 59.361 59.361 58.800 0.561 18733 6129 1 17 . 1 1 59 59 GLN CB C 59 28.975 28.975 28.669 0.306 18733 6130 1 17 . 1 1 60 60 ALA N N 60 119.084 119.084 120.719 -1.635 18733 6131 1 17 . 1 1 60 60 ALA HA H 60 4.028 4.028 4.198 -0.170 18733 6132 1 17 . 1 1 60 60 ALA CA C 60 54.245 54.245 54.214 0.031 18733 6133 1 17 . 1 1 60 60 ALA CB C 60 18.161 18.161 18.477 -0.316 18733 6134 1 17 . 1 1 61 61 LYS N N 61 115.215 115.215 115.829 -0.614 18733 6135 1 17 . 1 1 61 61 LYS HA H 61 4.517 4.517 4.736 -0.219 18733 6136 1 17 . 1 1 61 61 LYS CA C 61 54.188 54.188 55.417 -1.229 18733 6137 1 17 . 1 1 61 61 LYS CB C 61 33.239 33.239 32.392 0.847 18733 6138 1 17 . 1 1 62 62 LYS N N 62 122.199 122.199 121.118 1.081 18733 6139 1 17 . 1 1 62 62 LYS HA H 62 3.582 3.582 3.936 -0.354 18733 6140 1 17 . 1 1 62 62 LYS CA C 62 61.271 61.271 60.739 0.532 18733 6141 1 17 . 1 1 62 62 LYS CB C 62 33.052 33.052 32.198 0.854 18733 6142 1 17 . 1 1 63 63 GLN N N 63 117.101 117.101 116.811 0.290 18733 6143 1 17 . 1 1 63 63 GLN HA H 63 3.767 3.767 4.197 -0.430 18733 6144 1 17 . 1 1 63 63 GLN CA C 63 58.948 58.948 57.603 1.345 18733 6145 1 17 . 1 1 63 63 GLN CB C 63 27.823 27.823 27.818 0.005 18733 6146 1 17 . 1 1 64 64 GLU N N 64 119.459 119.459 118.223 1.236 18733 6147 1 17 . 1 1 64 64 GLU HA H 64 4.035 4.035 4.175 -0.140 18733 6148 1 17 . 1 1 64 64 GLU CA C 64 59.672 59.672 58.513 1.159 18733 6149 1 17 . 1 1 64 64 GLU CB C 64 29.755 29.755 29.635 0.120 18733 6150 1 17 . 1 1 65 65 MET N N 65 118.493 118.493 114.844 3.649 18733 6151 1 17 . 1 1 65 65 MET HA H 65 4.077 4.077 4.435 -0.358 18733 6152 1 17 . 1 1 65 65 MET CA C 65 59.488 59.488 57.956 1.532 18733 6153 1 17 . 1 1 65 65 MET CB C 65 34.335 34.335 33.561 0.774 18733 6154 1 17 . 1 1 66 66 MET N N 66 117.848 117.848 117.777 0.071 18733 6155 1 17 . 1 1 66 66 MET HA H 66 4.127 4.127 4.064 0.063 18733 6156 1 17 . 1 1 66 66 MET CA C 66 59.790 59.790 56.691 3.099 18733 6157 1 17 . 1 1 66 66 MET CB C 66 31.196 31.196 32.065 -0.869 18733 6158 1 17 . 1 1 67 67 ASP N N 67 118.987 118.987 119.754 -0.767 18733 6159 1 17 . 1 1 67 67 ASP HA H 67 4.283 4.283 4.477 -0.194 18733 6160 1 17 . 1 1 67 67 ASP CA C 67 57.892 57.892 56.074 1.818 18733 6161 1 17 . 1 1 67 67 ASP CB C 67 39.885 39.885 41.403 -1.518 18733 6162 1 17 . 1 1 68 68 TYR N N 68 119.790 119.790 115.619 4.171 18733 6163 1 17 . 1 1 68 68 TYR HA H 68 4.118 4.118 4.739 -0.621 18733 6164 1 17 . 1 1 68 68 TYR CA C 68 61.588 61.588 57.495 4.093 18733 6165 1 17 . 1 1 68 68 TYR CB C 68 37.806 37.806 38.757 -0.951 18733 6166 1 17 . 1 1 69 69 TYR N N 69 118.552 118.552 120.147 -1.595 18733 6167 1 17 . 1 1 69 69 TYR HA H 69 4.057 4.057 3.818 0.239 18733 6168 1 17 . 1 1 69 69 TYR CA C 69 62.536 62.536 60.194 2.342 18733 6169 1 17 . 1 1 69 69 TYR CB C 69 37.582 37.582 37.355 0.228 18733 6170 1 17 . 1 1 70 70 MET N N 70 117.939 117.939 116.891 1.048 18733 6171 1 17 . 1 1 70 70 MET HA H 70 4.489 4.489 4.147 0.342 18733 6172 1 17 . 1 1 70 70 MET CA C 70 58.947 58.947 58.449 0.498 18733 6173 1 17 . 1 1 70 70 MET CB C 70 31.380 31.380 32.142 -0.763 18733 6174 1 17 . 1 1 71 71 ASP N N 71 120.118 120.118 116.088 4.030 18733 6175 1 17 . 1 1 71 71 ASP HA H 71 4.390 4.390 4.729 -0.339 18733 6176 1 17 . 1 1 71 71 ASP CA C 71 57.730 57.730 54.131 3.599 18733 6177 1 17 . 1 1 71 71 ASP CB C 71 40.050 40.050 40.543 -0.493 18733 6178 1 17 . 1 1 72 72 ARG N N 72 118.091 118.091 118.006 0.085 18733 6179 1 17 . 1 1 72 72 ARG HA H 72 4.107 4.107 4.598 -0.491 18733 6180 1 17 . 1 1 72 72 ARG CA C 72 58.260 58.260 56.202 2.058 18733 6181 1 17 . 1 1 72 72 ARG CB C 72 31.091 31.091 31.718 -0.627 18733 6182 1 17 . 1 1 73 73 TYR N N 73 121.878 121.878 116.811 5.067 18733 6183 1 17 . 1 1 73 73 TYR HA H 73 4.178 4.178 4.900 -0.722 18733 6184 1 17 . 1 1 73 73 TYR CA C 73 61.440 61.440 54.867 6.573 18733 6185 1 17 . 1 1 73 73 TYR CB C 73 38.677 38.677 38.230 0.446 18733 6186 1 17 . 1 1 74 74 LYS N N 74 119.791 119.791 121.966 -2.175 18733 6187 1 17 . 1 1 74 74 LYS HA H 74 3.564 3.564 3.699 -0.135 18733 6188 1 17 . 1 1 74 74 LYS CA C 74 60.621 60.621 60.479 0.142 18733 6189 1 17 . 1 1 74 74 LYS CB C 74 32.225 32.225 32.018 0.207 18733 6190 1 17 . 1 1 75 75 GLU N N 75 116.140 116.140 117.322 -1.182 18733 6191 1 17 . 1 1 75 75 GLU HA H 75 4.004 4.004 4.096 -0.092 18733 6192 1 17 . 1 1 75 75 GLU CA C 75 59.293 59.293 58.787 0.506 18733 6193 1 17 . 1 1 75 75 GLU CB C 75 29.627 29.627 28.785 0.842 18733 6194 1 17 . 1 1 76 76 MET N N 76 119.200 119.200 117.021 2.179 18733 6195 1 17 . 1 1 76 76 MET HA H 76 4.250 4.250 4.456 -0.206 18733 6196 1 17 . 1 1 76 76 MET CA C 76 60.058 60.058 57.011 3.047 18733 6197 1 17 . 1 1 76 76 MET CB C 76 32.751 32.751 32.850 -0.099 18733 6198 1 17 . 1 1 77 77 LEU N N 77 125.191 125.191 121.006 4.185 18733 6199 1 17 . 1 1 77 77 LEU HA H 77 3.703 3.703 4.014 -0.311 18733 6200 1 17 . 1 1 77 77 LEU CA C 77 58.589 58.589 57.447 1.142 18733 6201 1 17 . 1 1 77 77 LEU CB C 77 41.650 41.650 41.982 -0.332 18733 6202 1 17 . 1 1 78 78 ASP N N 78 119.843 119.843 120.423 -0.580 18733 6203 1 17 . 1 1 78 78 ASP HA H 78 4.177 4.177 4.334 -0.157 18733 6204 1 17 . 1 1 78 78 ASP CA C 78 58.584 58.584 57.225 1.359 18733 6205 1 17 . 1 1 78 78 ASP CB C 78 42.352 42.352 40.762 1.590 18733 6206 1 17 . 1 1 79 79 ALA N N 79 117.168 117.168 120.818 -3.650 18733 6207 1 17 . 1 1 79 79 ALA HA H 79 4.077 4.077 4.258 -0.181 18733 6208 1 17 . 1 1 79 79 ALA CA C 79 55.317 55.317 54.041 1.276 18733 6209 1 17 . 1 1 79 79 ALA CB C 79 18.335 18.335 18.437 -0.102 18733 6210 1 17 . 1 1 80 80 ASN N N 80 115.882 115.882 114.690 1.192 18733 6211 1 17 . 1 1 80 80 ASN HA H 80 4.416 4.416 4.857 -0.441 18733 6212 1 17 . 1 1 80 80 ASN CA C 80 57.791 57.791 53.518 4.273 18733 6213 1 17 . 1 1 80 80 ASN CB C 80 40.251 40.251 39.537 0.714 18733 6214 1 17 . 1 1 81 81 MET N N 81 120.945 120.945 119.970 0.975 18733 6215 1 17 . 1 1 81 81 MET HA H 81 4.129 4.129 4.422 -0.293 18733 6216 1 17 . 1 1 81 81 MET CA C 81 58.954 58.954 55.819 3.135 18733 6217 1 17 . 1 1 81 81 MET CB C 81 31.937 31.937 32.492 -0.555 18733 6218 1 17 . 1 1 82 82 GLU N N 82 116.578 116.578 113.036 3.542 18733 6219 1 17 . 1 1 82 82 GLU HA H 82 3.979 3.979 3.984 -0.005 18733 6220 1 17 . 1 1 82 82 GLU CA C 82 59.214 59.214 58.627 0.587 18733 6221 1 17 . 1 1 82 82 GLU CB C 82 29.207 29.207 28.107 1.100 18733 6222 1 17 . 1 1 83 83 ASP N N 83 119.199 119.199 120.099 -0.900 18733 6223 1 17 . 1 1 83 83 ASP HA H 83 4.399 4.399 4.249 0.150 18733 6224 1 17 . 1 1 83 83 ASP CA C 83 57.554 57.554 57.128 0.426 18733 6225 1 17 . 1 1 83 83 ASP CB C 83 42.088 42.088 40.727 1.361 18733 6226 1 17 . 1 1 84 84 TYR N N 84 117.904 117.904 115.033 2.871 18733 6227 1 17 . 1 1 84 84 TYR HA H 84 3.931 3.931 4.684 -0.753 18733 6228 1 17 . 1 1 84 84 TYR CA C 84 63.663 63.663 59.257 4.406 18733 6229 1 17 . 1 1 84 84 TYR CB C 84 39.134 39.134 37.980 1.154 18733 6230 1 17 . 1 1 85 85 ILE N N 85 116.362 116.362 118.191 -1.829 18733 6231 1 17 . 1 1 85 85 ILE HA H 85 3.752 3.752 4.013 -0.261 18733 6232 1 17 . 1 1 85 85 ILE CA C 85 66.287 66.287 62.830 3.457 18733 6233 1 17 . 1 1 85 85 ILE CB C 85 38.815 38.815 39.076 -0.261 18733 6234 1 17 . 1 1 86 86 GLU N N 86 117.696 117.696 119.101 -1.405 18733 6235 1 17 . 1 1 86 86 GLU HA H 86 3.896 3.896 4.248 -0.352 18733 6236 1 17 . 1 1 86 86 GLU CA C 86 59.290 59.290 58.762 0.528 18733 6237 1 17 . 1 1 86 86 GLU CB C 86 29.660 29.660 29.494 0.166 18733 6238 1 17 . 1 1 87 87 ASN N N 87 113.943 113.943 116.257 -2.314 18733 6239 1 17 . 1 1 87 87 ASN HA H 87 4.933 4.933 4.860 0.073 18733 6240 1 17 . 1 1 87 87 ASN CA C 87 52.462 52.462 53.979 -1.517 18733 6241 1 17 . 1 1 87 87 ASN CB C 87 38.847 38.847 39.648 -0.801 18733 6242 1 17 . 1 1 88 88 PHE N N 88 123.733 123.733 122.377 1.356 18733 6243 1 17 . 1 1 88 88 PHE HA H 88 4.141 4.141 4.460 -0.319 18733 6244 1 17 . 1 1 88 88 PHE CA C 88 63.888 63.888 62.533 1.355 18733 6245 1 17 . 1 1 88 88 PHE CB C 88 41.768 41.768 39.225 2.543 18733 6246 1 17 . 1 1 89 89 ASP N N 89 117.257 117.257 117.598 -0.341 18733 6247 1 17 . 1 1 89 89 ASP HA H 89 4.386 4.386 4.220 0.166 18733 6248 1 17 . 1 1 89 89 ASP CA C 89 57.468 57.468 57.929 -0.461 18733 6249 1 17 . 1 1 89 89 ASP CB C 89 39.886 39.886 40.297 -0.411 18733 6250 1 17 . 1 1 90 90 HIS N N 90 121.385 121.385 117.956 3.429 18733 6251 1 17 . 1 1 90 90 HIS HA H 90 4.294 4.294 4.285 0.009 18733 6252 1 17 . 1 1 90 90 HIS CA C 90 59.081 59.081 59.090 -0.009 18733 6253 1 17 . 1 1 90 90 HIS CB C 90 29.949 29.949 30.303 -0.354 18733 6254 1 17 . 1 1 91 91 TYR N N 91 118.440 118.440 119.605 -1.165 18733 6255 1 17 . 1 1 91 91 TYR HA H 91 4.192 4.192 4.487 -0.295 18733 6256 1 17 . 1 1 91 91 TYR CA C 91 59.618 59.618 61.275 -1.657 18733 6257 1 17 . 1 1 91 91 TYR CB C 91 36.860 36.860 38.229 -1.369 18733 6258 1 17 . 1 1 92 92 ARG N N 92 119.028 119.028 118.747 0.281 18733 6259 1 17 . 1 1 92 92 ARG HA H 92 4.023 4.023 4.034 -0.011 18733 6260 1 17 . 1 1 92 92 ARG CA C 92 57.308 57.308 56.972 0.336 18733 6261 1 17 . 1 1 92 92 ARG CB C 92 29.129 29.129 29.110 0.019 18733 6262 1 17 . 1 1 93 93 ALA N N 93 120.513 120.513 118.811 1.702 18733 6263 1 17 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.261 -0.050 18733 6264 1 17 . 1 1 93 93 ALA CA C 93 53.603 53.603 53.489 0.114 18733 6265 1 17 . 1 1 93 93 ALA CB C 93 18.864 18.864 19.658 -0.794 18733 6266 1 17 . 1 1 94 94 THR N N 94 108.668 108.668 109.333 -0.665 18733 6267 1 17 . 1 1 94 94 THR HA H 94 4.249 4.249 4.106 0.143 18733 6268 1 17 . 1 1 94 94 THR CA C 94 62.170 62.170 62.945 -0.775 18733 6269 1 17 . 1 1 94 94 THR CB C 94 70.164 70.164 69.226 0.938 18733 6270 1 17 . 1 1 95 95 GLN N N 95 122.873 122.873 121.321 1.552 18733 6271 1 17 . 1 1 95 95 GLN HA H 95 4.288 4.288 4.493 -0.205 18733 6272 1 17 . 1 1 95 95 GLN CA C 95 56.073 56.073 55.184 0.889 18733 6273 1 17 . 1 1 95 95 GLN CB C 95 28.903 28.903 29.917 -1.014 18733 6274 1 18 . 1 1 2 2 ASN HA H 2 4.590 4.590 4.739 -0.149 18733 6275 1 18 . 1 1 2 2 ASN CA C 2 53.554 53.554 53.853 -0.299 18733 6276 1 18 . 1 1 2 2 ASN CB C 2 38.650 38.650 39.632 -0.982 18733 6277 1 18 . 1 1 3 3 ASN HA H 3 4.526 4.526 5.113 -0.587 18733 6278 1 18 . 1 1 3 3 ASN CA C 3 53.720 53.720 52.901 0.819 18733 6279 1 18 . 1 1 3 3 ASN CB C 3 38.473 38.473 40.114 -1.641 18733 6280 1 18 . 1 1 4 4 GLU N N 4 121.638 121.638 124.692 -3.054 18733 6281 1 18 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.120 -0.034 18733 6282 1 18 . 1 1 4 4 GLU CA C 4 57.656 57.656 59.343 -1.687 18733 6283 1 18 . 1 1 4 4 GLU CB C 4 29.649 29.649 30.077 -0.428 18733 6284 1 18 . 1 1 5 5 ASN N N 5 118.543 118.543 114.726 3.817 18733 6285 1 18 . 1 1 5 5 ASN HA H 5 4.531 4.531 4.688 -0.157 18733 6286 1 18 . 1 1 5 5 ASN CA C 5 55.114 55.114 53.269 1.845 18733 6287 1 18 . 1 1 5 5 ASN CB C 5 38.417 38.417 39.698 -1.281 18733 6288 1 18 . 1 1 6 6 ALA N N 6 123.531 123.531 123.136 0.395 18733 6289 1 18 . 1 1 6 6 ALA HA H 6 4.057 4.057 3.867 0.190 18733 6290 1 18 . 1 1 6 6 ALA CA C 6 55.266 55.266 51.261 4.005 18733 6291 1 18 . 1 1 6 6 ALA CB C 6 18.099 18.099 18.618 -0.519 18733 6292 1 18 . 1 1 7 7 PHE N N 7 119.588 119.588 116.976 2.612 18733 6293 1 18 . 1 1 7 7 PHE HA H 7 3.777 3.777 4.573 -0.796 18733 6294 1 18 . 1 1 7 7 PHE CA C 7 61.179 61.179 54.976 6.203 18733 6295 1 18 . 1 1 7 7 PHE CB C 7 38.947 38.947 35.581 3.366 18733 6296 1 18 . 1 1 8 8 TYR N N 8 116.300 116.300 122.882 -6.582 18733 6297 1 18 . 1 1 8 8 TYR HA H 8 4.007 4.007 4.140 -0.133 18733 6298 1 18 . 1 1 8 8 TYR CA C 8 61.117 61.117 62.562 -1.445 18733 6299 1 18 . 1 1 8 8 TYR CB C 8 37.370 37.370 36.900 0.470 18733 6300 1 18 . 1 1 9 9 ALA N N 9 124.516 124.516 118.033 6.483 18733 6301 1 18 . 1 1 9 9 ALA HA H 9 4.074 4.074 4.205 -0.131 18733 6302 1 18 . 1 1 9 9 ALA CA C 9 55.415 55.415 53.866 1.549 18733 6303 1 18 . 1 1 9 9 ALA CB C 9 17.797 17.797 18.366 -0.569 18733 6304 1 18 . 1 1 10 10 ARG N N 10 118.255 118.255 118.474 -0.219 18733 6305 1 18 . 1 1 10 10 ARG HA H 10 3.857 3.857 4.672 -0.815 18733 6306 1 18 . 1 1 10 10 ARG CA C 10 60.070 60.070 57.291 2.780 18733 6307 1 18 . 1 1 10 10 ARG CB C 10 31.179 31.179 31.001 0.178 18733 6308 1 18 . 1 1 11 11 ALA N N 11 119.258 119.258 122.896 -3.638 18733 6309 1 18 . 1 1 11 11 ALA HA H 11 4.079 4.079 4.083 -0.004 18733 6310 1 18 . 1 1 11 11 ALA CA C 11 55.152 55.152 55.216 -0.064 18733 6311 1 18 . 1 1 11 11 ALA CB C 11 19.072 19.072 17.934 1.138 18733 6312 1 18 . 1 1 12 12 THR N N 12 114.669 114.669 112.865 1.804 18733 6313 1 18 . 1 1 12 12 THR HA H 12 3.761 3.761 4.101 -0.340 18733 6314 1 18 . 1 1 12 12 THR CA C 12 67.028 67.028 65.890 1.138 18733 6315 1 18 . 1 1 12 12 THR CB C 12 68.661 68.661 68.692 -0.031 18733 6316 1 18 . 1 1 13 13 GLU N N 13 120.838 120.838 120.827 0.011 18733 6317 1 18 . 1 1 13 13 GLU HA H 13 3.782 3.782 4.197 -0.415 18733 6318 1 18 . 1 1 13 13 GLU CA C 13 59.781 59.781 58.725 1.056 18733 6319 1 18 . 1 1 13 13 GLU CB C 13 29.713 29.713 29.486 0.227 18733 6320 1 18 . 1 1 14 14 LEU N N 14 119.831 119.831 120.587 -0.756 18733 6321 1 18 . 1 1 14 14 LEU HA H 14 3.616 3.616 4.206 -0.590 18733 6322 1 18 . 1 1 14 14 LEU CA C 14 58.363 58.363 57.864 0.499 18733 6323 1 18 . 1 1 14 14 LEU CB C 14 42.109 42.109 41.404 0.705 18733 6324 1 18 . 1 1 15 15 ILE N N 15 119.150 119.150 118.090 1.060 18733 6325 1 18 . 1 1 15 15 ILE HA H 15 3.376 3.376 3.494 -0.118 18733 6326 1 18 . 1 1 15 15 ILE CA C 15 66.274 66.274 65.277 0.997 18733 6327 1 18 . 1 1 15 15 ILE CB C 15 38.343 38.343 37.362 0.981 18733 6328 1 18 . 1 1 16 16 LYS N N 16 118.734 118.734 119.334 -0.600 18733 6329 1 18 . 1 1 16 16 LYS HA H 16 3.808 3.808 4.065 -0.257 18733 6330 1 18 . 1 1 16 16 LYS CA C 16 59.950 59.950 58.686 1.264 18733 6331 1 18 . 1 1 16 16 LYS CB C 16 32.109 32.109 32.202 -0.092 18733 6332 1 18 . 1 1 17 17 LEU N N 17 121.376 121.376 120.401 0.975 18733 6333 1 18 . 1 1 17 17 LEU HA H 17 4.017 4.017 4.213 -0.196 18733 6334 1 18 . 1 1 17 17 LEU CA C 17 57.733 57.733 57.432 0.301 18733 6335 1 18 . 1 1 17 17 LEU CB C 17 40.385 40.385 41.340 -0.955 18733 6336 1 18 . 1 1 18 18 ALA N N 18 123.298 123.298 121.636 1.662 18733 6337 1 18 . 1 1 18 18 ALA HA H 18 3.547 3.547 4.000 -0.453 18733 6338 1 18 . 1 1 18 18 ALA CA C 18 55.031 55.031 55.011 0.020 18733 6339 1 18 . 1 1 18 18 ALA CB C 18 17.716 17.716 18.285 -0.569 18733 6340 1 18 . 1 1 19 19 ASN N N 19 114.581 114.581 116.097 -1.516 18733 6341 1 18 . 1 1 19 19 ASN HA H 19 4.504 4.504 4.458 0.046 18733 6342 1 18 . 1 1 19 19 ASN CA C 19 55.633 55.633 55.776 -0.143 18733 6343 1 18 . 1 1 19 19 ASN CB C 19 37.683 37.683 38.686 -1.003 18733 6344 1 18 . 1 1 20 20 GLN N N 20 122.054 122.054 118.291 3.763 18733 6345 1 18 . 1 1 20 20 GLN HA H 20 3.959 3.959 4.282 -0.323 18733 6346 1 18 . 1 1 20 20 GLN CA C 20 58.913 58.913 58.373 0.540 18733 6347 1 18 . 1 1 20 20 GLN CB C 20 28.293 28.293 29.054 -0.761 18733 6348 1 18 . 1 1 21 21 GLN N N 21 120.962 120.962 118.750 2.212 18733 6349 1 18 . 1 1 21 21 GLN HA H 21 3.863 3.863 4.180 -0.317 18733 6350 1 18 . 1 1 21 21 GLN CA C 21 58.371 58.371 58.007 0.364 18733 6351 1 18 . 1 1 21 21 GLN CB C 21 27.603 27.603 28.682 -1.079 18733 6352 1 18 . 1 1 22 22 ASN N N 22 114.486 114.486 116.463 -1.977 18733 6353 1 18 . 1 1 22 22 ASN HA H 22 4.550 4.550 4.609 -0.059 18733 6354 1 18 . 1 1 22 22 ASN CA C 22 53.545 53.545 53.051 0.493 18733 6355 1 18 . 1 1 22 22 ASN CB C 22 39.752 39.752 38.530 1.222 18733 6356 1 18 . 1 1 23 23 GLN N N 23 117.002 117.002 116.721 0.281 18733 6357 1 18 . 1 1 23 23 GLN HA H 23 4.121 4.121 4.314 -0.193 18733 6358 1 18 . 1 1 23 23 GLN CA C 23 56.336 56.336 55.239 1.097 18733 6359 1 18 . 1 1 23 23 GLN CB C 23 28.367 28.367 28.453 -0.085 18733 6360 1 18 . 1 1 24 24 ASN N N 24 117.868 117.868 119.013 -1.145 18733 6361 1 18 . 1 1 24 24 ASN HA H 24 4.554 4.554 4.805 -0.251 18733 6362 1 18 . 1 1 24 24 ASN CA C 24 53.550 53.550 52.600 0.950 18733 6363 1 18 . 1 1 24 24 ASN CB C 24 38.856 38.856 39.323 -0.467 18733 6364 1 18 . 1 1 25 25 THR N N 25 115.612 115.612 121.317 -5.705 18733 6365 1 18 . 1 1 25 25 THR HA H 25 4.193 4.193 4.037 0.156 18733 6366 1 18 . 1 1 25 25 THR CA C 25 63.026 63.026 64.796 -1.770 18733 6367 1 18 . 1 1 25 25 THR CB C 25 69.388 69.388 69.158 0.230 18733 6368 1 18 . 1 1 26 26 GLU N N 26 119.600 119.600 118.165 1.435 18733 6369 1 18 . 1 1 26 26 GLU HA H 26 4.213 4.213 4.380 -0.167 18733 6370 1 18 . 1 1 26 26 GLU CA C 26 56.803 56.803 55.913 0.891 18733 6371 1 18 . 1 1 26 26 GLU CB C 26 29.566 29.566 29.311 0.254 18733 6372 1 18 . 1 1 27 27 ILE N N 27 118.383 118.383 120.497 -2.114 18733 6373 1 18 . 1 1 27 27 ILE HA H 27 4.320 4.320 4.254 0.066 18733 6374 1 18 . 1 1 27 27 ILE CA C 27 59.638 59.638 60.126 -0.487 18733 6375 1 18 . 1 1 27 27 ILE CB C 27 39.531 39.531 39.615 -0.084 18733 6376 1 18 . 1 1 28 28 GLN N N 28 122.321 122.321 123.087 -0.766 18733 6377 1 18 . 1 1 28 28 GLN HA H 28 4.593 4.593 4.351 0.242 18733 6378 1 18 . 1 1 28 28 GLN CA C 28 54.684 54.684 56.114 -1.430 18733 6379 1 18 . 1 1 28 28 GLN CB C 28 30.183 30.183 29.356 0.827 18733 6380 1 18 . 1 1 29 29 THR N N 29 119.517 119.517 117.967 1.550 18733 6381 1 18 . 1 1 29 29 THR HA H 29 3.916 3.916 4.080 -0.164 18733 6382 1 18 . 1 1 29 29 THR CA C 29 65.895 65.895 66.011 -0.116 18733 6383 1 18 . 1 1 29 29 THR CB C 29 68.708 68.708 68.564 0.144 18733 6384 1 18 . 1 1 30 30 GLY N N 30 109.285 109.285 107.648 1.637 18733 6385 1 18 . 1 1 30 30 GLY CA C 30 47.126 47.126 45.820 1.306 18733 6386 1 18 . 1 1 31 31 GLU N N 31 120.940 120.940 121.209 -0.269 18733 6387 1 18 . 1 1 31 31 GLU HA H 31 4.259 4.259 4.264 -0.005 18733 6388 1 18 . 1 1 31 31 GLU CA C 31 59.424 59.424 58.228 1.196 18733 6389 1 18 . 1 1 31 31 GLU CB C 31 29.410 29.410 29.770 -0.360 18733 6390 1 18 . 1 1 32 32 VAL N N 32 122.718 122.718 118.667 4.051 18733 6391 1 18 . 1 1 32 32 VAL HA H 32 3.568 3.568 4.103 -0.535 18733 6392 1 18 . 1 1 32 32 VAL CA C 32 66.122 66.122 64.469 1.653 18733 6393 1 18 . 1 1 32 32 VAL CB C 32 31.157 31.157 32.374 -1.217 18733 6394 1 18 . 1 1 33 33 SER N N 33 114.886 114.886 117.024 -2.138 18733 6395 1 18 . 1 1 33 33 SER HA H 33 4.112 4.112 4.220 -0.108 18733 6396 1 18 . 1 1 33 33 SER CA C 33 62.119 62.119 61.852 0.267 18733 6397 1 18 . 1 1 33 33 SER CB C 33 63.293 63.293 62.842 0.451 18733 6398 1 18 . 1 1 34 34 ALA N N 34 121.240 121.240 123.416 -2.176 18733 6399 1 18 . 1 1 34 34 ALA HA H 34 4.505 4.505 4.336 0.169 18733 6400 1 18 . 1 1 34 34 ALA CA C 34 55.790 55.790 54.764 1.026 18733 6401 1 18 . 1 1 34 34 ALA CB C 34 18.845 18.845 18.456 0.389 18733 6402 1 18 . 1 1 35 35 SER N N 35 111.131 111.131 115.634 -4.503 18733 6403 1 18 . 1 1 35 35 SER HA H 35 3.420 3.420 4.286 -0.866 18733 6404 1 18 . 1 1 35 35 SER CA C 35 61.316 61.316 61.288 0.028 18733 6405 1 18 . 1 1 35 35 SER CB C 35 62.547 62.547 63.151 -0.604 18733 6406 1 18 . 1 1 36 36 PHE N N 36 127.676 127.676 123.969 3.707 18733 6407 1 18 . 1 1 36 36 PHE HA H 36 4.490 4.490 4.252 0.238 18733 6408 1 18 . 1 1 36 36 PHE CA C 36 57.592 57.592 61.466 -3.874 18733 6409 1 18 . 1 1 36 36 PHE CB C 36 38.111 38.111 39.590 -1.480 18733 6410 1 18 . 1 1 37 37 MET N N 37 119.851 119.851 120.077 -0.226 18733 6411 1 18 . 1 1 37 37 MET HA H 37 3.859 3.859 4.102 -0.243 18733 6412 1 18 . 1 1 37 37 MET CA C 37 59.444 59.444 59.510 -0.066 18733 6413 1 18 . 1 1 37 37 MET CB C 37 33.517 33.517 32.777 0.740 18733 6414 1 18 . 1 1 38 38 TRP N N 38 121.153 121.153 120.885 0.268 18733 6415 1 18 . 1 1 38 38 TRP HA H 38 3.981 3.981 4.229 -0.248 18733 6416 1 18 . 1 1 38 38 TRP CA C 38 62.129 62.129 60.642 1.487 18733 6417 1 18 . 1 1 38 38 TRP CB C 38 29.930 29.930 29.644 0.286 18733 6418 1 18 . 1 1 39 39 ALA N N 39 119.518 119.518 121.946 -2.428 18733 6419 1 18 . 1 1 39 39 ALA HA H 39 3.880 3.880 3.992 -0.112 18733 6420 1 18 . 1 1 39 39 ALA CA C 39 55.231 55.231 54.720 0.511 18733 6421 1 18 . 1 1 39 39 ALA CB C 39 20.477 20.477 17.949 2.528 18733 6422 1 18 . 1 1 40 40 LEU N N 40 116.794 116.794 119.750 -2.956 18733 6423 1 18 . 1 1 40 40 LEU HA H 40 2.741 2.741 3.914 -1.173 18733 6424 1 18 . 1 1 40 40 LEU CA C 40 56.979 56.979 56.926 0.053 18733 6425 1 18 . 1 1 40 40 LEU CB C 40 40.563 40.563 41.348 -0.785 18733 6426 1 18 . 1 1 41 41 ALA N N 41 120.249 120.249 121.995 -1.746 18733 6427 1 18 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.854 -0.191 18733 6428 1 18 . 1 1 41 41 ALA CA C 41 54.943 54.943 55.119 -0.176 18733 6429 1 18 . 1 1 41 41 ALA CB C 41 17.512 17.512 18.056 -0.544 18733 6430 1 18 . 1 1 42 42 ARG N N 42 118.787 118.787 117.039 1.748 18733 6431 1 18 . 1 1 42 42 ARG HA H 42 3.315 3.315 3.936 -0.621 18733 6432 1 18 . 1 1 42 42 ARG CA C 42 60.027 60.027 58.294 1.733 18733 6433 1 18 . 1 1 42 42 ARG CB C 42 29.084 29.084 30.152 -1.068 18733 6434 1 18 . 1 1 43 43 TYR N N 43 122.429 122.429 119.808 2.621 18733 6435 1 18 . 1 1 43 43 TYR HA H 43 3.956 3.956 4.405 -0.449 18733 6436 1 18 . 1 1 43 43 TYR CA C 43 63.225 63.225 60.956 2.269 18733 6437 1 18 . 1 1 43 43 TYR CB C 43 39.819 39.819 38.968 0.851 18733 6438 1 18 . 1 1 44 44 ASN N N 44 116.736 116.736 118.531 -1.795 18733 6439 1 18 . 1 1 44 44 ASN HA H 44 4.170 4.170 4.587 -0.417 18733 6440 1 18 . 1 1 44 44 ASN CA C 44 56.267 56.267 55.515 0.752 18733 6441 1 18 . 1 1 44 44 ASN CB C 44 37.894 37.894 37.583 0.311 18733 6442 1 18 . 1 1 45 45 ALA N N 45 124.950 124.950 122.007 2.943 18733 6443 1 18 . 1 1 45 45 ALA HA H 45 3.862 3.862 4.239 -0.377 18733 6444 1 18 . 1 1 45 45 ALA CA C 45 55.465 55.465 53.808 1.657 18733 6445 1 18 . 1 1 45 45 ALA CB C 45 18.587 18.587 18.051 0.536 18733 6446 1 18 . 1 1 46 46 TRP N N 46 119.686 119.686 121.261 -1.575 18733 6447 1 18 . 1 1 46 46 TRP HA H 46 2.849 2.849 4.207 -1.358 18733 6448 1 18 . 1 1 46 46 TRP CA C 46 60.783 60.783 60.427 0.356 18733 6449 1 18 . 1 1 46 46 TRP CB C 46 26.470 26.470 29.329 -2.859 18733 6450 1 18 . 1 1 47 47 PHE N N 47 121.090 121.090 117.095 3.995 18733 6451 1 18 . 1 1 47 47 PHE HA H 47 2.939 2.939 4.352 -1.413 18733 6452 1 18 . 1 1 47 47 PHE CA C 47 59.116 59.116 59.357 -0.241 18733 6453 1 18 . 1 1 47 47 PHE CB C 47 38.212 38.212 38.418 -0.206 18733 6454 1 18 . 1 1 48 48 GLY N N 48 109.386 109.386 108.284 1.102 18733 6455 1 18 . 1 1 48 48 GLY CA C 48 47.209 47.209 47.230 -0.021 18733 6456 1 18 . 1 1 49 49 SER N N 49 118.098 118.098 113.992 4.106 18733 6457 1 18 . 1 1 49 49 SER CA C 49 62.016 62.016 59.537 2.479 18733 6458 1 18 . 1 1 49 49 SER CB C 49 63.411 63.411 63.342 0.069 18733 6459 1 18 . 1 1 50 50 THR N N 50 110.801 110.801 110.905 -0.104 18733 6460 1 18 . 1 1 50 50 THR HA H 50 3.851 3.851 4.372 -0.521 18733 6461 1 18 . 1 1 50 50 THR CA C 50 63.914 63.914 63.007 0.907 18733 6462 1 18 . 1 1 50 50 THR CB C 50 69.676 69.676 69.197 0.479 18733 6463 1 18 . 1 1 51 51 SER N N 51 115.249 115.249 117.569 -2.320 18733 6464 1 18 . 1 1 51 51 SER HA H 51 3.990 3.990 4.356 -0.366 18733 6465 1 18 . 1 1 51 51 SER CA C 51 59.360 59.360 60.789 -1.429 18733 6466 1 18 . 1 1 51 51 SER CB C 51 63.142 63.142 64.347 -1.205 18733 6467 1 18 . 1 1 52 52 PHE N N 52 118.004 118.004 116.525 1.479 18733 6468 1 18 . 1 1 52 52 PHE HA H 52 4.861 4.861 4.719 0.142 18733 6469 1 18 . 1 1 52 52 PHE CA C 52 57.045 57.045 57.322 -0.277 18733 6470 1 18 . 1 1 52 52 PHE CB C 52 42.165 42.165 41.974 0.191 18733 6471 1 18 . 1 1 53 53 GLU N N 53 119.224 119.224 118.565 0.659 18733 6472 1 18 . 1 1 53 53 GLU HA H 53 4.415 4.415 4.380 0.035 18733 6473 1 18 . 1 1 53 53 GLU CA C 53 57.653 57.653 56.654 0.999 18733 6474 1 18 . 1 1 53 53 GLU CB C 53 31.679 31.679 30.474 1.205 18733 6475 1 18 . 1 1 54 54 THR N N 54 105.230 105.230 112.000 -6.770 18733 6476 1 18 . 1 1 54 54 THR HA H 54 4.529 4.529 4.494 0.035 18733 6477 1 18 . 1 1 54 54 THR CA C 54 58.360 58.360 60.245 -1.885 18733 6478 1 18 . 1 1 54 54 THR CB C 54 73.366 73.366 71.138 2.228 18733 6479 1 18 . 1 1 55 55 LYS N N 55 122.509 122.509 123.792 -1.283 18733 6480 1 18 . 1 1 55 55 LYS HA H 55 2.752 2.752 4.004 -1.252 18733 6481 1 18 . 1 1 55 55 LYS CA C 55 58.567 58.567 59.175 -0.607 18733 6482 1 18 . 1 1 55 55 LYS CB C 55 32.829 32.829 31.497 1.332 18733 6483 1 18 . 1 1 56 56 GLU N N 56 117.867 117.867 119.549 -1.682 18733 6484 1 18 . 1 1 56 56 GLU HA H 56 3.785 3.785 3.963 -0.178 18733 6485 1 18 . 1 1 56 56 GLU CA C 56 60.334 60.334 60.095 0.239 18733 6486 1 18 . 1 1 56 56 GLU CB C 56 28.185 28.185 28.938 -0.753 18733 6487 1 18 . 1 1 57 57 GLN N N 57 119.487 119.487 117.261 2.226 18733 6488 1 18 . 1 1 57 57 GLN HA H 57 3.788 3.788 3.786 0.002 18733 6489 1 18 . 1 1 57 57 GLN CA C 57 58.056 58.056 57.435 0.621 18733 6490 1 18 . 1 1 57 57 GLN CB C 57 28.577 28.577 28.184 0.393 18733 6491 1 18 . 1 1 58 58 MET N N 58 118.284 118.284 119.263 -0.979 18733 6492 1 18 . 1 1 58 58 MET HA H 58 2.029 2.029 4.274 -2.245 18733 6493 1 18 . 1 1 58 58 MET CA C 58 58.862 58.862 58.916 -0.054 18733 6494 1 18 . 1 1 58 58 MET CB C 58 30.814 30.814 32.947 -2.133 18733 6495 1 18 . 1 1 59 59 GLN N N 59 116.663 116.663 118.951 -2.288 18733 6496 1 18 . 1 1 59 59 GLN HA H 59 3.578 3.578 4.056 -0.478 18733 6497 1 18 . 1 1 59 59 GLN CA C 59 59.361 59.361 58.629 0.732 18733 6498 1 18 . 1 1 59 59 GLN CB C 59 28.975 28.975 28.726 0.249 18733 6499 1 18 . 1 1 60 60 ALA N N 60 119.084 119.084 120.448 -1.364 18733 6500 1 18 . 1 1 60 60 ALA HA H 60 4.028 4.028 4.261 -0.233 18733 6501 1 18 . 1 1 60 60 ALA CA C 60 54.245 54.245 53.812 0.433 18733 6502 1 18 . 1 1 60 60 ALA CB C 60 18.161 18.161 18.536 -0.375 18733 6503 1 18 . 1 1 61 61 LYS N N 61 115.215 115.215 116.823 -1.608 18733 6504 1 18 . 1 1 61 61 LYS HA H 61 4.517 4.517 4.677 -0.160 18733 6505 1 18 . 1 1 61 61 LYS CA C 61 54.188 54.188 54.793 -0.605 18733 6506 1 18 . 1 1 61 61 LYS CB C 61 33.239 33.239 32.163 1.076 18733 6507 1 18 . 1 1 62 62 LYS N N 62 122.199 122.199 119.624 2.575 18733 6508 1 18 . 1 1 62 62 LYS HA H 62 3.582 3.582 3.975 -0.393 18733 6509 1 18 . 1 1 62 62 LYS CA C 62 61.271 61.271 59.894 1.377 18733 6510 1 18 . 1 1 62 62 LYS CB C 62 33.052 33.052 31.700 1.352 18733 6511 1 18 . 1 1 63 63 GLN N N 63 117.101 117.101 117.273 -0.172 18733 6512 1 18 . 1 1 63 63 GLN HA H 63 3.767 3.767 4.233 -0.466 18733 6513 1 18 . 1 1 63 63 GLN CA C 63 58.948 58.948 57.795 1.153 18733 6514 1 18 . 1 1 63 63 GLN CB C 63 27.823 27.823 28.184 -0.361 18733 6515 1 18 . 1 1 64 64 GLU N N 64 119.459 119.459 119.327 0.132 18733 6516 1 18 . 1 1 64 64 GLU HA H 64 4.035 4.035 4.140 -0.105 18733 6517 1 18 . 1 1 64 64 GLU CA C 64 59.672 59.672 59.079 0.593 18733 6518 1 18 . 1 1 64 64 GLU CB C 64 29.755 29.755 29.841 -0.086 18733 6519 1 18 . 1 1 65 65 MET N N 65 118.493 118.493 114.518 3.975 18733 6520 1 18 . 1 1 65 65 MET HA H 65 4.077 4.077 4.491 -0.414 18733 6521 1 18 . 1 1 65 65 MET CA C 65 59.488 59.488 58.040 1.448 18733 6522 1 18 . 1 1 65 65 MET CB C 65 34.335 34.335 33.273 1.062 18733 6523 1 18 . 1 1 66 66 MET N N 66 117.848 117.848 117.065 0.783 18733 6524 1 18 . 1 1 66 66 MET HA H 66 4.127 4.127 4.439 -0.312 18733 6525 1 18 . 1 1 66 66 MET CA C 66 59.790 59.790 56.051 3.739 18733 6526 1 18 . 1 1 66 66 MET CB C 66 31.196 31.196 32.013 -0.817 18733 6527 1 18 . 1 1 67 67 ASP N N 67 118.987 118.987 118.779 0.208 18733 6528 1 18 . 1 1 67 67 ASP HA H 67 4.283 4.283 4.771 -0.488 18733 6529 1 18 . 1 1 67 67 ASP CA C 67 57.892 57.892 55.453 2.439 18733 6530 1 18 . 1 1 67 67 ASP CB C 67 39.885 39.885 42.434 -2.549 18733 6531 1 18 . 1 1 68 68 TYR N N 68 119.790 119.790 119.751 0.039 18733 6532 1 18 . 1 1 68 68 TYR HA H 68 4.118 4.118 4.411 -0.293 18733 6533 1 18 . 1 1 68 68 TYR CA C 68 61.588 61.588 59.356 2.232 18733 6534 1 18 . 1 1 68 68 TYR CB C 68 37.806 37.806 37.786 0.020 18733 6535 1 18 . 1 1 69 69 TYR N N 69 118.552 118.552 118.087 0.465 18733 6536 1 18 . 1 1 69 69 TYR HA H 69 4.057 4.057 3.875 0.182 18733 6537 1 18 . 1 1 69 69 TYR CA C 69 62.536 62.536 59.708 2.828 18733 6538 1 18 . 1 1 69 69 TYR CB C 69 37.582 37.582 37.639 -0.057 18733 6539 1 18 . 1 1 70 70 MET N N 70 117.939 117.939 116.983 0.956 18733 6540 1 18 . 1 1 70 70 MET HA H 70 4.489 4.489 4.142 0.347 18733 6541 1 18 . 1 1 70 70 MET CA C 70 58.947 58.947 57.973 0.974 18733 6542 1 18 . 1 1 70 70 MET CB C 70 31.380 31.380 32.062 -0.682 18733 6543 1 18 . 1 1 71 71 ASP N N 71 120.118 120.118 116.669 3.449 18733 6544 1 18 . 1 1 71 71 ASP HA H 71 4.390 4.390 4.740 -0.350 18733 6545 1 18 . 1 1 71 71 ASP CA C 71 57.730 57.730 54.245 3.486 18733 6546 1 18 . 1 1 71 71 ASP CB C 71 40.050 40.050 40.589 -0.539 18733 6547 1 18 . 1 1 72 72 ARG N N 72 118.091 118.091 118.375 -0.284 18733 6548 1 18 . 1 1 72 72 ARG HA H 72 4.107 4.107 4.569 -0.462 18733 6549 1 18 . 1 1 72 72 ARG CA C 72 58.260 58.260 57.381 0.879 18733 6550 1 18 . 1 1 72 72 ARG CB C 72 31.091 31.091 32.104 -1.013 18733 6551 1 18 . 1 1 73 73 TYR N N 73 121.878 121.878 115.867 6.011 18733 6552 1 18 . 1 1 73 73 TYR HA H 73 4.178 4.178 4.888 -0.710 18733 6553 1 18 . 1 1 73 73 TYR CA C 73 61.440 61.440 54.526 6.914 18733 6554 1 18 . 1 1 73 73 TYR CB C 73 38.677 38.677 38.195 0.482 18733 6555 1 18 . 1 1 74 74 LYS N N 74 119.791 119.791 122.567 -2.776 18733 6556 1 18 . 1 1 74 74 LYS HA H 74 3.564 3.564 3.738 -0.174 18733 6557 1 18 . 1 1 74 74 LYS CA C 74 60.621 60.621 60.230 0.390 18733 6558 1 18 . 1 1 74 74 LYS CB C 74 32.225 32.225 31.979 0.246 18733 6559 1 18 . 1 1 75 75 GLU N N 75 116.140 116.140 117.359 -1.219 18733 6560 1 18 . 1 1 75 75 GLU HA H 75 4.004 4.004 4.103 -0.099 18733 6561 1 18 . 1 1 75 75 GLU CA C 75 59.293 59.293 58.825 0.468 18733 6562 1 18 . 1 1 75 75 GLU CB C 75 29.627 29.627 28.645 0.982 18733 6563 1 18 . 1 1 76 76 MET N N 76 119.200 119.200 118.670 0.530 18733 6564 1 18 . 1 1 76 76 MET HA H 76 4.250 4.250 4.262 -0.012 18733 6565 1 18 . 1 1 76 76 MET CA C 76 60.058 60.058 58.319 1.739 18733 6566 1 18 . 1 1 76 76 MET CB C 76 32.751 32.751 32.596 0.155 18733 6567 1 18 . 1 1 77 77 LEU N N 77 125.191 125.191 121.118 4.073 18733 6568 1 18 . 1 1 77 77 LEU HA H 77 3.703 3.703 4.261 -0.558 18733 6569 1 18 . 1 1 77 77 LEU CA C 77 58.589 58.589 56.944 1.645 18733 6570 1 18 . 1 1 77 77 LEU CB C 77 41.650 41.650 42.092 -0.442 18733 6571 1 18 . 1 1 78 78 ASP N N 78 119.843 119.843 119.990 -0.147 18733 6572 1 18 . 1 1 78 78 ASP HA H 78 4.177 4.177 4.335 -0.158 18733 6573 1 18 . 1 1 78 78 ASP CA C 78 58.584 58.584 56.978 1.605 18733 6574 1 18 . 1 1 78 78 ASP CB C 78 42.352 42.352 40.896 1.456 18733 6575 1 18 . 1 1 79 79 ALA N N 79 117.168 117.168 119.034 -1.866 18733 6576 1 18 . 1 1 79 79 ALA HA H 79 4.077 4.077 4.249 -0.172 18733 6577 1 18 . 1 1 79 79 ALA CA C 79 55.317 55.317 53.507 1.810 18733 6578 1 18 . 1 1 79 79 ALA CB C 79 18.335 18.335 18.890 -0.555 18733 6579 1 18 . 1 1 80 80 ASN N N 80 115.882 115.882 115.749 0.133 18733 6580 1 18 . 1 1 80 80 ASN HA H 80 4.416 4.416 4.913 -0.497 18733 6581 1 18 . 1 1 80 80 ASN CA C 80 57.791 57.791 53.757 4.034 18733 6582 1 18 . 1 1 80 80 ASN CB C 80 40.251 40.251 39.545 0.706 18733 6583 1 18 . 1 1 81 81 MET N N 81 120.945 120.945 119.168 1.777 18733 6584 1 18 . 1 1 81 81 MET HA H 81 4.129 4.129 4.437 -0.308 18733 6585 1 18 . 1 1 81 81 MET CA C 81 58.954 58.954 56.589 2.365 18733 6586 1 18 . 1 1 81 81 MET CB C 81 31.937 31.937 32.117 -0.180 18733 6587 1 18 . 1 1 82 82 GLU N N 82 116.578 116.578 116.120 0.458 18733 6588 1 18 . 1 1 82 82 GLU HA H 82 3.979 3.979 3.906 0.073 18733 6589 1 18 . 1 1 82 82 GLU CA C 82 59.214 59.214 59.400 -0.186 18733 6590 1 18 . 1 1 82 82 GLU CB C 82 29.207 29.207 27.588 1.619 18733 6591 1 18 . 1 1 83 83 ASP N N 83 119.199 119.199 120.721 -1.522 18733 6592 1 18 . 1 1 83 83 ASP HA H 83 4.399 4.399 4.341 0.058 18733 6593 1 18 . 1 1 83 83 ASP CA C 83 57.554 57.554 57.054 0.500 18733 6594 1 18 . 1 1 83 83 ASP CB C 83 42.088 42.088 40.743 1.345 18733 6595 1 18 . 1 1 84 84 TYR N N 84 117.904 117.904 117.226 0.678 18733 6596 1 18 . 1 1 84 84 TYR HA H 84 3.931 3.931 4.480 -0.549 18733 6597 1 18 . 1 1 84 84 TYR CA C 84 63.663 63.663 60.887 2.776 18733 6598 1 18 . 1 1 84 84 TYR CB C 84 39.134 39.134 38.214 0.920 18733 6599 1 18 . 1 1 85 85 ILE N N 85 116.362 116.362 117.379 -1.017 18733 6600 1 18 . 1 1 85 85 ILE HA H 85 3.752 3.752 3.932 -0.180 18733 6601 1 18 . 1 1 85 85 ILE CA C 85 66.287 66.287 63.423 2.864 18733 6602 1 18 . 1 1 85 85 ILE CB C 85 38.815 38.815 38.192 0.623 18733 6603 1 18 . 1 1 86 86 GLU N N 86 117.696 117.696 120.742 -3.046 18733 6604 1 18 . 1 1 86 86 GLU HA H 86 3.896 3.896 4.063 -0.167 18733 6605 1 18 . 1 1 86 86 GLU CA C 86 59.290 59.290 59.462 -0.172 18733 6606 1 18 . 1 1 86 86 GLU CB C 86 29.660 29.660 29.098 0.562 18733 6607 1 18 . 1 1 87 87 ASN N N 87 113.943 113.943 117.106 -3.163 18733 6608 1 18 . 1 1 87 87 ASN HA H 87 4.933 4.933 4.736 0.197 18733 6609 1 18 . 1 1 87 87 ASN CA C 87 52.462 52.462 54.431 -1.969 18733 6610 1 18 . 1 1 87 87 ASN CB C 87 38.847 38.847 39.092 -0.245 18733 6611 1 18 . 1 1 88 88 PHE N N 88 123.733 123.733 122.386 1.347 18733 6612 1 18 . 1 1 88 88 PHE HA H 88 4.141 4.141 4.424 -0.283 18733 6613 1 18 . 1 1 88 88 PHE CA C 88 63.888 63.888 62.652 1.236 18733 6614 1 18 . 1 1 88 88 PHE CB C 88 41.768 41.768 39.347 2.421 18733 6615 1 18 . 1 1 89 89 ASP N N 89 117.257 117.257 118.264 -1.007 18733 6616 1 18 . 1 1 89 89 ASP HA H 89 4.386 4.386 4.182 0.204 18733 6617 1 18 . 1 1 89 89 ASP CA C 89 57.468 57.468 57.218 0.250 18733 6618 1 18 . 1 1 89 89 ASP CB C 89 39.886 39.886 40.656 -0.770 18733 6619 1 18 . 1 1 90 90 HIS N N 90 121.385 121.385 118.646 2.739 18733 6620 1 18 . 1 1 90 90 HIS HA H 90 4.294 4.294 4.189 0.105 18733 6621 1 18 . 1 1 90 90 HIS CA C 90 59.081 59.081 59.564 -0.483 18733 6622 1 18 . 1 1 90 90 HIS CB C 90 29.949 29.949 30.131 -0.182 18733 6623 1 18 . 1 1 91 91 TYR N N 91 118.440 118.440 119.390 -0.950 18733 6624 1 18 . 1 1 91 91 TYR HA H 91 4.192 4.192 4.436 -0.244 18733 6625 1 18 . 1 1 91 91 TYR CA C 91 59.618 59.618 61.255 -1.637 18733 6626 1 18 . 1 1 91 91 TYR CB C 91 36.860 36.860 38.170 -1.310 18733 6627 1 18 . 1 1 92 92 ARG N N 92 119.028 119.028 118.418 0.610 18733 6628 1 18 . 1 1 92 92 ARG HA H 92 4.023 4.023 4.122 -0.099 18733 6629 1 18 . 1 1 92 92 ARG CA C 92 57.308 57.308 56.522 0.786 18733 6630 1 18 . 1 1 92 92 ARG CB C 92 29.129 29.129 29.242 -0.114 18733 6631 1 18 . 1 1 93 93 ALA N N 93 120.513 120.513 118.867 1.646 18733 6632 1 18 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.271 -0.060 18733 6633 1 18 . 1 1 93 93 ALA CA C 93 53.603 53.603 53.507 0.096 18733 6634 1 18 . 1 1 93 93 ALA CB C 93 18.864 18.864 19.240 -0.376 18733 6635 1 18 . 1 1 94 94 THR N N 94 108.668 108.668 111.159 -2.491 18733 6636 1 18 . 1 1 94 94 THR HA H 94 4.249 4.249 4.072 0.177 18733 6637 1 18 . 1 1 94 94 THR CA C 94 62.170 62.170 63.851 -1.681 18733 6638 1 18 . 1 1 94 94 THR CB C 94 70.164 70.164 69.106 1.058 18733 6639 1 18 . 1 1 95 95 GLN N N 95 122.873 122.873 121.738 1.135 18733 6640 1 18 . 1 1 95 95 GLN HA H 95 4.288 4.288 4.440 -0.152 18733 6641 1 18 . 1 1 95 95 GLN CA C 95 56.073 56.073 55.129 0.944 18733 6642 1 18 . 1 1 95 95 GLN CB C 95 28.903 28.903 30.323 -1.420 18733 6643 1 19 . 1 1 2 2 ASN HA H 2 4.590 4.590 4.862 -0.272 18733 6644 1 19 . 1 1 2 2 ASN CA C 2 53.554 53.554 53.349 0.205 18733 6645 1 19 . 1 1 2 2 ASN CB C 2 38.650 38.650 39.144 -0.493 18733 6646 1 19 . 1 1 3 3 ASN HA H 3 4.526 4.526 4.997 -0.471 18733 6647 1 19 . 1 1 3 3 ASN CA C 3 53.720 53.720 52.648 1.073 18733 6648 1 19 . 1 1 3 3 ASN CB C 3 38.473 38.473 40.506 -2.033 18733 6649 1 19 . 1 1 4 4 GLU N N 4 121.638 121.638 120.441 1.197 18733 6650 1 19 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.422 -0.336 18733 6651 1 19 . 1 1 4 4 GLU CA C 4 57.656 57.656 57.982 -0.326 18733 6652 1 19 . 1 1 4 4 GLU CB C 4 29.649 29.649 30.910 -1.261 18733 6653 1 19 . 1 1 5 5 ASN N N 5 118.543 118.543 117.230 1.313 18733 6654 1 19 . 1 1 5 5 ASN HA H 5 4.531 4.531 4.693 -0.162 18733 6655 1 19 . 1 1 5 5 ASN CA C 5 55.114 55.114 52.971 2.143 18733 6656 1 19 . 1 1 5 5 ASN CB C 5 38.417 38.417 38.989 -0.572 18733 6657 1 19 . 1 1 6 6 ALA N N 6 123.531 123.531 122.160 1.371 18733 6658 1 19 . 1 1 6 6 ALA HA H 6 4.057 4.057 3.989 0.068 18733 6659 1 19 . 1 1 6 6 ALA CA C 6 55.266 55.266 50.988 4.278 18733 6660 1 19 . 1 1 6 6 ALA CB C 6 18.099 18.099 18.934 -0.835 18733 6661 1 19 . 1 1 7 7 PHE N N 7 119.588 119.588 118.389 1.199 18733 6662 1 19 . 1 1 7 7 PHE HA H 7 3.777 3.777 4.745 -0.968 18733 6663 1 19 . 1 1 7 7 PHE CA C 7 61.179 61.179 54.362 6.817 18733 6664 1 19 . 1 1 7 7 PHE CB C 7 38.947 38.947 35.916 3.030 18733 6665 1 19 . 1 1 8 8 TYR N N 8 116.300 116.300 124.344 -8.044 18733 6666 1 19 . 1 1 8 8 TYR HA H 8 4.007 4.007 4.110 -0.103 18733 6667 1 19 . 1 1 8 8 TYR CA C 8 61.117 61.117 62.109 -0.992 18733 6668 1 19 . 1 1 8 8 TYR CB C 8 37.370 37.370 37.068 0.302 18733 6669 1 19 . 1 1 9 9 ALA N N 9 124.516 124.516 118.987 5.529 18733 6670 1 19 . 1 1 9 9 ALA HA H 9 4.074 4.074 4.104 -0.030 18733 6671 1 19 . 1 1 9 9 ALA CA C 9 55.415 55.415 54.369 1.046 18733 6672 1 19 . 1 1 9 9 ALA CB C 9 17.797 17.797 18.512 -0.714 18733 6673 1 19 . 1 1 10 10 ARG N N 10 118.255 118.255 118.666 -0.411 18733 6674 1 19 . 1 1 10 10 ARG HA H 10 3.857 3.857 4.347 -0.490 18733 6675 1 19 . 1 1 10 10 ARG CA C 10 60.070 60.070 57.231 2.839 18733 6676 1 19 . 1 1 10 10 ARG CB C 10 31.179 31.179 30.317 0.862 18733 6677 1 19 . 1 1 11 11 ALA N N 11 119.258 119.258 122.370 -3.112 18733 6678 1 19 . 1 1 11 11 ALA HA H 11 4.079 4.079 4.149 -0.070 18733 6679 1 19 . 1 1 11 11 ALA CA C 11 55.152 55.152 54.910 0.242 18733 6680 1 19 . 1 1 11 11 ALA CB C 11 19.072 19.072 18.005 1.067 18733 6681 1 19 . 1 1 12 12 THR N N 12 114.669 114.669 113.234 1.435 18733 6682 1 19 . 1 1 12 12 THR HA H 12 3.761 3.761 4.040 -0.279 18733 6683 1 19 . 1 1 12 12 THR CA C 12 67.028 67.028 66.257 0.771 18733 6684 1 19 . 1 1 12 12 THR CB C 12 68.661 68.661 68.902 -0.241 18733 6685 1 19 . 1 1 13 13 GLU N N 13 120.838 120.838 120.036 0.802 18733 6686 1 19 . 1 1 13 13 GLU HA H 13 3.782 3.782 4.343 -0.561 18733 6687 1 19 . 1 1 13 13 GLU CA C 13 59.781 59.781 58.330 1.451 18733 6688 1 19 . 1 1 13 13 GLU CB C 13 29.713 29.713 29.611 0.102 18733 6689 1 19 . 1 1 14 14 LEU N N 14 119.831 119.831 121.373 -1.542 18733 6690 1 19 . 1 1 14 14 LEU HA H 14 3.616 3.616 4.216 -0.600 18733 6691 1 19 . 1 1 14 14 LEU CA C 14 58.363 58.363 57.907 0.456 18733 6692 1 19 . 1 1 14 14 LEU CB C 14 42.109 42.109 41.388 0.721 18733 6693 1 19 . 1 1 15 15 ILE N N 15 119.150 119.150 117.936 1.214 18733 6694 1 19 . 1 1 15 15 ILE HA H 15 3.376 3.376 3.401 -0.025 18733 6695 1 19 . 1 1 15 15 ILE CA C 15 66.274 66.274 65.047 1.227 18733 6696 1 19 . 1 1 15 15 ILE CB C 15 38.343 38.343 37.477 0.866 18733 6697 1 19 . 1 1 16 16 LYS N N 16 118.734 118.734 119.885 -1.151 18733 6698 1 19 . 1 1 16 16 LYS HA H 16 3.808 3.808 4.019 -0.211 18733 6699 1 19 . 1 1 16 16 LYS CA C 16 59.950 59.950 58.994 0.956 18733 6700 1 19 . 1 1 16 16 LYS CB C 16 32.109 32.109 32.236 -0.127 18733 6701 1 19 . 1 1 17 17 LEU N N 17 121.376 121.376 119.686 1.690 18733 6702 1 19 . 1 1 17 17 LEU HA H 17 4.017 4.017 4.160 -0.143 18733 6703 1 19 . 1 1 17 17 LEU CA C 17 57.733 57.733 57.785 -0.052 18733 6704 1 19 . 1 1 17 17 LEU CB C 17 40.385 40.385 41.153 -0.768 18733 6705 1 19 . 1 1 18 18 ALA N N 18 123.298 123.298 121.524 1.774 18733 6706 1 19 . 1 1 18 18 ALA HA H 18 3.547 3.547 4.023 -0.476 18733 6707 1 19 . 1 1 18 18 ALA CA C 18 55.031 55.031 54.840 0.190 18733 6708 1 19 . 1 1 18 18 ALA CB C 18 17.716 17.716 18.297 -0.581 18733 6709 1 19 . 1 1 19 19 ASN N N 19 114.581 114.581 116.210 -1.629 18733 6710 1 19 . 1 1 19 19 ASN HA H 19 4.504 4.504 4.438 0.066 18733 6711 1 19 . 1 1 19 19 ASN CA C 19 55.633 55.633 56.172 -0.539 18733 6712 1 19 . 1 1 19 19 ASN CB C 19 37.683 37.683 38.502 -0.820 18733 6713 1 19 . 1 1 20 20 GLN N N 20 122.054 122.054 117.075 4.979 18733 6714 1 19 . 1 1 20 20 GLN HA H 20 3.959 3.959 4.720 -0.761 18733 6715 1 19 . 1 1 20 20 GLN CA C 20 58.913 58.913 56.909 2.004 18733 6716 1 19 . 1 1 20 20 GLN CB C 20 28.293 28.293 28.656 -0.363 18733 6717 1 19 . 1 1 21 21 GLN N N 21 120.962 120.962 118.146 2.816 18733 6718 1 19 . 1 1 21 21 GLN HA H 21 3.863 3.863 4.350 -0.487 18733 6719 1 19 . 1 1 21 21 GLN CA C 21 58.371 58.371 57.421 0.950 18733 6720 1 19 . 1 1 21 21 GLN CB C 21 27.603 27.603 29.877 -2.274 18733 6721 1 19 . 1 1 22 22 ASN N N 22 114.486 114.486 118.677 -4.191 18733 6722 1 19 . 1 1 22 22 ASN HA H 22 4.550 4.550 4.551 -0.001 18733 6723 1 19 . 1 1 22 22 ASN CA C 22 53.545 53.545 54.313 -0.768 18733 6724 1 19 . 1 1 22 22 ASN CB C 22 39.752 39.752 38.862 0.890 18733 6725 1 19 . 1 1 23 23 GLN N N 23 117.002 117.002 115.873 1.129 18733 6726 1 19 . 1 1 23 23 GLN HA H 23 4.121 4.121 4.196 -0.075 18733 6727 1 19 . 1 1 23 23 GLN CA C 23 56.336 56.336 56.209 0.127 18733 6728 1 19 . 1 1 23 23 GLN CB C 23 28.367 28.367 28.541 -0.174 18733 6729 1 19 . 1 1 24 24 ASN N N 24 117.868 117.868 119.804 -1.936 18733 6730 1 19 . 1 1 24 24 ASN HA H 24 4.554 4.554 4.718 -0.164 18733 6731 1 19 . 1 1 24 24 ASN CA C 24 53.550 53.550 53.061 0.489 18733 6732 1 19 . 1 1 24 24 ASN CB C 24 38.856 38.856 38.858 -0.003 18733 6733 1 19 . 1 1 25 25 THR N N 25 115.612 115.612 120.637 -5.025 18733 6734 1 19 . 1 1 25 25 THR HA H 25 4.193 4.193 4.066 0.127 18733 6735 1 19 . 1 1 25 25 THR CA C 25 63.026 63.026 64.662 -1.635 18733 6736 1 19 . 1 1 25 25 THR CB C 25 69.388 69.388 68.973 0.415 18733 6737 1 19 . 1 1 26 26 GLU N N 26 119.600 119.600 118.371 1.229 18733 6738 1 19 . 1 1 26 26 GLU HA H 26 4.213 4.213 4.300 -0.087 18733 6739 1 19 . 1 1 26 26 GLU CA C 26 56.803 56.803 56.248 0.555 18733 6740 1 19 . 1 1 26 26 GLU CB C 26 29.566 29.566 29.188 0.379 18733 6741 1 19 . 1 1 27 27 ILE N N 27 118.383 118.383 121.004 -2.621 18733 6742 1 19 . 1 1 27 27 ILE HA H 27 4.320 4.320 4.229 0.091 18733 6743 1 19 . 1 1 27 27 ILE CA C 27 59.638 59.638 60.332 -0.694 18733 6744 1 19 . 1 1 27 27 ILE CB C 27 39.531 39.531 39.406 0.126 18733 6745 1 19 . 1 1 28 28 GLN N N 28 122.321 122.321 123.107 -0.786 18733 6746 1 19 . 1 1 28 28 GLN HA H 28 4.593 4.593 4.471 0.122 18733 6747 1 19 . 1 1 28 28 GLN CA C 28 54.684 54.684 55.194 -0.510 18733 6748 1 19 . 1 1 28 28 GLN CB C 28 30.183 30.183 29.621 0.562 18733 6749 1 19 . 1 1 29 29 THR N N 29 119.517 119.517 117.021 2.496 18733 6750 1 19 . 1 1 29 29 THR HA H 29 3.916 3.916 4.015 -0.099 18733 6751 1 19 . 1 1 29 29 THR CA C 29 65.895 65.895 66.176 -0.281 18733 6752 1 19 . 1 1 29 29 THR CB C 29 68.708 68.708 68.597 0.110 18733 6753 1 19 . 1 1 30 30 GLY N N 30 109.285 109.285 109.273 0.012 18733 6754 1 19 . 1 1 30 30 GLY CA C 30 47.126 47.126 46.746 0.380 18733 6755 1 19 . 1 1 31 31 GLU N N 31 120.940 120.940 121.594 -0.654 18733 6756 1 19 . 1 1 31 31 GLU HA H 31 4.259 4.259 4.162 0.097 18733 6757 1 19 . 1 1 31 31 GLU CA C 31 59.424 59.424 58.429 0.995 18733 6758 1 19 . 1 1 31 31 GLU CB C 31 29.410 29.410 29.344 0.066 18733 6759 1 19 . 1 1 32 32 VAL N N 32 122.718 122.718 119.044 3.674 18733 6760 1 19 . 1 1 32 32 VAL HA H 32 3.568 3.568 4.050 -0.482 18733 6761 1 19 . 1 1 32 32 VAL CA C 32 66.122 66.122 65.201 0.921 18733 6762 1 19 . 1 1 32 32 VAL CB C 32 31.157 31.157 31.987 -0.830 18733 6763 1 19 . 1 1 33 33 SER N N 33 114.886 114.886 116.741 -1.855 18733 6764 1 19 . 1 1 33 33 SER HA H 33 4.112 4.112 4.257 -0.145 18733 6765 1 19 . 1 1 33 33 SER CA C 33 62.119 62.119 61.713 0.406 18733 6766 1 19 . 1 1 33 33 SER CB C 33 63.293 63.293 62.373 0.920 18733 6767 1 19 . 1 1 34 34 ALA N N 34 121.240 121.240 123.806 -2.566 18733 6768 1 19 . 1 1 34 34 ALA HA H 34 4.505 4.505 4.447 0.058 18733 6769 1 19 . 1 1 34 34 ALA CA C 34 55.790 55.790 54.679 1.111 18733 6770 1 19 . 1 1 34 34 ALA CB C 34 18.845 18.845 18.636 0.209 18733 6771 1 19 . 1 1 35 35 SER N N 35 111.131 111.131 116.414 -5.283 18733 6772 1 19 . 1 1 35 35 SER HA H 35 3.420 3.420 4.318 -0.898 18733 6773 1 19 . 1 1 35 35 SER CA C 35 61.316 61.316 61.596 -0.280 18733 6774 1 19 . 1 1 35 35 SER CB C 35 62.547 62.547 63.208 -0.661 18733 6775 1 19 . 1 1 36 36 PHE N N 36 127.676 127.676 123.457 4.219 18733 6776 1 19 . 1 1 36 36 PHE HA H 36 4.490 4.490 4.263 0.227 18733 6777 1 19 . 1 1 36 36 PHE CA C 36 57.592 57.592 61.406 -3.814 18733 6778 1 19 . 1 1 36 36 PHE CB C 36 38.111 38.111 39.505 -1.394 18733 6779 1 19 . 1 1 37 37 MET N N 37 119.851 119.851 120.032 -0.181 18733 6780 1 19 . 1 1 37 37 MET HA H 37 3.859 3.859 4.145 -0.286 18733 6781 1 19 . 1 1 37 37 MET CA C 37 59.444 59.444 59.283 0.161 18733 6782 1 19 . 1 1 37 37 MET CB C 37 33.517 33.517 32.869 0.648 18733 6783 1 19 . 1 1 38 38 TRP N N 38 121.153 121.153 121.505 -0.352 18733 6784 1 19 . 1 1 38 38 TRP HA H 38 3.981 3.981 4.209 -0.228 18733 6785 1 19 . 1 1 38 38 TRP CA C 38 62.129 62.129 60.581 1.548 18733 6786 1 19 . 1 1 38 38 TRP CB C 38 29.930 29.930 29.690 0.240 18733 6787 1 19 . 1 1 39 39 ALA N N 39 119.518 119.518 121.908 -2.390 18733 6788 1 19 . 1 1 39 39 ALA HA H 39 3.880 3.880 3.874 0.006 18733 6789 1 19 . 1 1 39 39 ALA CA C 39 55.231 55.231 54.854 0.377 18733 6790 1 19 . 1 1 39 39 ALA CB C 39 20.477 20.477 17.833 2.644 18733 6791 1 19 . 1 1 40 40 LEU N N 40 116.794 116.794 120.300 -3.506 18733 6792 1 19 . 1 1 40 40 LEU HA H 40 2.741 2.741 3.922 -1.181 18733 6793 1 19 . 1 1 40 40 LEU CA C 40 56.979 56.979 57.017 -0.038 18733 6794 1 19 . 1 1 40 40 LEU CB C 40 40.563 40.563 41.248 -0.685 18733 6795 1 19 . 1 1 41 41 ALA N N 41 120.249 120.249 120.913 -0.664 18733 6796 1 19 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.941 -0.278 18733 6797 1 19 . 1 1 41 41 ALA CA C 41 54.943 54.943 54.996 -0.053 18733 6798 1 19 . 1 1 41 41 ALA CB C 41 17.512 17.512 18.019 -0.507 18733 6799 1 19 . 1 1 42 42 ARG N N 42 118.787 118.787 116.772 2.015 18733 6800 1 19 . 1 1 42 42 ARG HA H 42 3.315 3.315 4.026 -0.711 18733 6801 1 19 . 1 1 42 42 ARG CA C 42 60.027 60.027 58.200 1.827 18733 6802 1 19 . 1 1 42 42 ARG CB C 42 29.084 29.084 30.322 -1.238 18733 6803 1 19 . 1 1 43 43 TYR N N 43 122.429 122.429 119.418 3.011 18733 6804 1 19 . 1 1 43 43 TYR HA H 43 3.956 3.956 4.294 -0.338 18733 6805 1 19 . 1 1 43 43 TYR CA C 43 63.225 63.225 60.942 2.283 18733 6806 1 19 . 1 1 43 43 TYR CB C 43 39.819 39.819 38.940 0.879 18733 6807 1 19 . 1 1 44 44 ASN N N 44 116.736 116.736 118.611 -1.875 18733 6808 1 19 . 1 1 44 44 ASN HA H 44 4.170 4.170 4.631 -0.461 18733 6809 1 19 . 1 1 44 44 ASN CA C 44 56.267 56.267 54.631 1.636 18733 6810 1 19 . 1 1 44 44 ASN CB C 44 37.894 37.894 38.021 -0.127 18733 6811 1 19 . 1 1 45 45 ALA N N 45 124.950 124.950 122.103 2.847 18733 6812 1 19 . 1 1 45 45 ALA HA H 45 3.862 3.862 4.319 -0.457 18733 6813 1 19 . 1 1 45 45 ALA CA C 45 55.465 55.465 53.290 2.175 18733 6814 1 19 . 1 1 45 45 ALA CB C 45 18.587 18.587 17.896 0.691 18733 6815 1 19 . 1 1 46 46 TRP N N 46 119.686 119.686 121.408 -1.722 18733 6816 1 19 . 1 1 46 46 TRP HA H 46 2.849 2.849 4.199 -1.350 18733 6817 1 19 . 1 1 46 46 TRP CA C 46 60.783 60.783 59.099 1.683 18733 6818 1 19 . 1 1 46 46 TRP CB C 46 26.470 26.470 28.312 -1.842 18733 6819 1 19 . 1 1 47 47 PHE N N 47 121.090 121.090 115.766 5.324 18733 6820 1 19 . 1 1 47 47 PHE HA H 47 2.939 2.939 4.388 -1.449 18733 6821 1 19 . 1 1 47 47 PHE CA C 47 59.116 59.116 59.970 -0.854 18733 6822 1 19 . 1 1 47 47 PHE CB C 47 38.212 38.212 38.649 -0.437 18733 6823 1 19 . 1 1 48 48 GLY N N 48 109.386 109.386 108.275 1.111 18733 6824 1 19 . 1 1 48 48 GLY CA C 48 47.209 47.209 47.033 0.176 18733 6825 1 19 . 1 1 49 49 SER N N 49 118.098 118.098 114.103 3.995 18733 6826 1 19 . 1 1 49 49 SER CA C 49 62.016 62.016 60.356 1.659 18733 6827 1 19 . 1 1 49 49 SER CB C 49 63.411 63.411 63.284 0.127 18733 6828 1 19 . 1 1 50 50 THR N N 50 110.801 110.801 113.751 -2.950 18733 6829 1 19 . 1 1 50 50 THR HA H 50 3.851 3.851 4.575 -0.724 18733 6830 1 19 . 1 1 50 50 THR CA C 50 63.914 63.914 61.463 2.451 18733 6831 1 19 . 1 1 50 50 THR CB C 50 69.676 69.676 69.023 0.653 18733 6832 1 19 . 1 1 51 51 SER N N 51 115.249 115.249 116.929 -1.680 18733 6833 1 19 . 1 1 51 51 SER HA H 51 3.990 3.990 4.428 -0.438 18733 6834 1 19 . 1 1 51 51 SER CA C 51 59.360 59.360 60.977 -1.617 18733 6835 1 19 . 1 1 51 51 SER CB C 51 63.142 63.142 64.176 -1.034 18733 6836 1 19 . 1 1 52 52 PHE N N 52 118.004 118.004 117.114 0.890 18733 6837 1 19 . 1 1 52 52 PHE HA H 52 4.861 4.861 4.731 0.130 18733 6838 1 19 . 1 1 52 52 PHE CA C 52 57.045 57.045 57.135 -0.090 18733 6839 1 19 . 1 1 52 52 PHE CB C 52 42.165 42.165 42.022 0.144 18733 6840 1 19 . 1 1 53 53 GLU N N 53 119.224 119.224 118.512 0.712 18733 6841 1 19 . 1 1 53 53 GLU HA H 53 4.415 4.415 4.404 0.011 18733 6842 1 19 . 1 1 53 53 GLU CA C 53 57.653 57.653 56.754 0.899 18733 6843 1 19 . 1 1 53 53 GLU CB C 53 31.679 31.679 30.349 1.329 18733 6844 1 19 . 1 1 54 54 THR N N 54 105.230 105.230 110.780 -5.550 18733 6845 1 19 . 1 1 54 54 THR HA H 54 4.529 4.529 4.652 -0.123 18733 6846 1 19 . 1 1 54 54 THR CA C 54 58.360 58.360 60.002 -1.642 18733 6847 1 19 . 1 1 54 54 THR CB C 54 73.366 73.366 71.595 1.771 18733 6848 1 19 . 1 1 55 55 LYS N N 55 122.509 122.509 123.697 -1.188 18733 6849 1 19 . 1 1 55 55 LYS HA H 55 2.752 2.752 4.017 -1.265 18733 6850 1 19 . 1 1 55 55 LYS CA C 55 58.567 58.567 59.185 -0.618 18733 6851 1 19 . 1 1 55 55 LYS CB C 55 32.829 32.829 31.374 1.455 18733 6852 1 19 . 1 1 56 56 GLU N N 56 117.867 117.867 119.017 -1.150 18733 6853 1 19 . 1 1 56 56 GLU HA H 56 3.785 3.785 3.970 -0.185 18733 6854 1 19 . 1 1 56 56 GLU CA C 56 60.334 60.334 59.533 0.801 18733 6855 1 19 . 1 1 56 56 GLU CB C 56 28.185 28.185 29.183 -0.998 18733 6856 1 19 . 1 1 57 57 GLN N N 57 119.487 119.487 116.559 2.928 18733 6857 1 19 . 1 1 57 57 GLN HA H 57 3.788 3.788 3.928 -0.140 18733 6858 1 19 . 1 1 57 57 GLN CA C 57 58.056 58.056 57.043 1.013 18733 6859 1 19 . 1 1 57 57 GLN CB C 57 28.577 28.577 28.686 -0.109 18733 6860 1 19 . 1 1 58 58 MET N N 58 118.284 118.284 119.641 -1.357 18733 6861 1 19 . 1 1 58 58 MET HA H 58 2.029 2.029 4.216 -2.187 18733 6862 1 19 . 1 1 58 58 MET CA C 58 58.862 58.862 59.009 -0.147 18733 6863 1 19 . 1 1 58 58 MET CB C 58 30.814 30.814 32.979 -2.165 18733 6864 1 19 . 1 1 59 59 GLN N N 59 116.663 116.663 119.440 -2.777 18733 6865 1 19 . 1 1 59 59 GLN HA H 59 3.578 3.578 4.081 -0.503 18733 6866 1 19 . 1 1 59 59 GLN CA C 59 59.361 59.361 58.631 0.730 18733 6867 1 19 . 1 1 59 59 GLN CB C 59 28.975 28.975 28.666 0.309 18733 6868 1 19 . 1 1 60 60 ALA N N 60 119.084 119.084 119.863 -0.779 18733 6869 1 19 . 1 1 60 60 ALA HA H 60 4.028 4.028 4.219 -0.191 18733 6870 1 19 . 1 1 60 60 ALA CA C 60 54.245 54.245 53.924 0.321 18733 6871 1 19 . 1 1 60 60 ALA CB C 60 18.161 18.161 18.486 -0.325 18733 6872 1 19 . 1 1 61 61 LYS N N 61 115.215 115.215 115.949 -0.734 18733 6873 1 19 . 1 1 61 61 LYS HA H 61 4.517 4.517 4.894 -0.377 18733 6874 1 19 . 1 1 61 61 LYS CA C 61 54.188 54.188 55.603 -1.415 18733 6875 1 19 . 1 1 61 61 LYS CB C 61 33.239 33.239 33.271 -0.032 18733 6876 1 19 . 1 1 62 62 LYS N N 62 122.199 122.199 120.296 1.903 18733 6877 1 19 . 1 1 62 62 LYS HA H 62 3.582 3.582 4.039 -0.457 18733 6878 1 19 . 1 1 62 62 LYS CA C 62 61.271 61.271 59.666 1.605 18733 6879 1 19 . 1 1 62 62 LYS CB C 62 33.052 33.052 31.532 1.520 18733 6880 1 19 . 1 1 63 63 GLN N N 63 117.101 117.101 118.608 -1.507 18733 6881 1 19 . 1 1 63 63 GLN HA H 63 3.767 3.767 4.148 -0.381 18733 6882 1 19 . 1 1 63 63 GLN CA C 63 58.948 58.948 57.847 1.101 18733 6883 1 19 . 1 1 63 63 GLN CB C 63 27.823 27.823 27.999 -0.176 18733 6884 1 19 . 1 1 64 64 GLU N N 64 119.459 119.459 119.224 0.235 18733 6885 1 19 . 1 1 64 64 GLU HA H 64 4.035 4.035 4.152 -0.117 18733 6886 1 19 . 1 1 64 64 GLU CA C 64 59.672 59.672 58.783 0.889 18733 6887 1 19 . 1 1 64 64 GLU CB C 64 29.755 29.755 29.609 0.146 18733 6888 1 19 . 1 1 65 65 MET N N 65 118.493 118.493 117.393 1.100 18733 6889 1 19 . 1 1 65 65 MET HA H 65 4.077 4.077 4.295 -0.218 18733 6890 1 19 . 1 1 65 65 MET CA C 65 59.488 59.488 58.276 1.212 18733 6891 1 19 . 1 1 65 65 MET CB C 65 34.335 34.335 33.079 1.256 18733 6892 1 19 . 1 1 66 66 MET N N 66 117.848 117.848 116.080 1.768 18733 6893 1 19 . 1 1 66 66 MET HA H 66 4.127 4.127 4.209 -0.082 18733 6894 1 19 . 1 1 66 66 MET CA C 66 59.790 59.790 56.408 3.382 18733 6895 1 19 . 1 1 66 66 MET CB C 66 31.196 31.196 32.181 -0.985 18733 6896 1 19 . 1 1 67 67 ASP N N 67 118.987 118.987 121.135 -2.148 18733 6897 1 19 . 1 1 67 67 ASP HA H 67 4.283 4.283 4.506 -0.223 18733 6898 1 19 . 1 1 67 67 ASP CA C 67 57.892 57.892 56.560 1.332 18733 6899 1 19 . 1 1 67 67 ASP CB C 67 39.885 39.885 42.100 -2.216 18733 6900 1 19 . 1 1 68 68 TYR N N 68 119.790 119.790 114.797 4.993 18733 6901 1 19 . 1 1 68 68 TYR HA H 68 4.118 4.118 4.731 -0.613 18733 6902 1 19 . 1 1 68 68 TYR CA C 68 61.588 61.588 57.431 4.157 18733 6903 1 19 . 1 1 68 68 TYR CB C 68 37.806 37.806 38.683 -0.877 18733 6904 1 19 . 1 1 69 69 TYR N N 69 118.552 118.552 118.564 -0.012 18733 6905 1 19 . 1 1 69 69 TYR HA H 69 4.057 4.057 3.929 0.128 18733 6906 1 19 . 1 1 69 69 TYR CA C 69 62.536 62.536 59.699 2.837 18733 6907 1 19 . 1 1 69 69 TYR CB C 69 37.582 37.582 37.958 -0.376 18733 6908 1 19 . 1 1 70 70 MET N N 70 117.939 117.939 117.277 0.662 18733 6909 1 19 . 1 1 70 70 MET HA H 70 4.489 4.489 4.173 0.316 18733 6910 1 19 . 1 1 70 70 MET CA C 70 58.947 58.947 58.403 0.544 18733 6911 1 19 . 1 1 70 70 MET CB C 70 31.380 31.380 32.057 -0.677 18733 6912 1 19 . 1 1 71 71 ASP N N 71 120.118 120.118 116.309 3.809 18733 6913 1 19 . 1 1 71 71 ASP HA H 71 4.390 4.390 4.678 -0.288 18733 6914 1 19 . 1 1 71 71 ASP CA C 71 57.730 57.730 55.130 2.600 18733 6915 1 19 . 1 1 71 71 ASP CB C 71 40.050 40.050 40.869 -0.819 18733 6916 1 19 . 1 1 72 72 ARG N N 72 118.091 118.091 118.335 -0.244 18733 6917 1 19 . 1 1 72 72 ARG HA H 72 4.107 4.107 4.361 -0.254 18733 6918 1 19 . 1 1 72 72 ARG CA C 72 58.260 58.260 58.587 -0.327 18733 6919 1 19 . 1 1 72 72 ARG CB C 72 31.091 31.091 31.193 -0.102 18733 6920 1 19 . 1 1 73 73 TYR N N 73 121.878 121.878 114.917 6.961 18733 6921 1 19 . 1 1 73 73 TYR HA H 73 4.178 4.178 4.807 -0.629 18733 6922 1 19 . 1 1 73 73 TYR CA C 73 61.440 61.440 54.233 7.207 18733 6923 1 19 . 1 1 73 73 TYR CB C 73 38.677 38.677 37.219 1.458 18733 6924 1 19 . 1 1 74 74 LYS N N 74 119.791 119.791 121.951 -2.160 18733 6925 1 19 . 1 1 74 74 LYS HA H 74 3.564 3.564 3.686 -0.122 18733 6926 1 19 . 1 1 74 74 LYS CA C 74 60.621 60.621 60.200 0.421 18733 6927 1 19 . 1 1 74 74 LYS CB C 74 32.225 32.225 32.102 0.123 18733 6928 1 19 . 1 1 75 75 GLU N N 75 116.140 116.140 117.504 -1.364 18733 6929 1 19 . 1 1 75 75 GLU HA H 75 4.004 4.004 4.111 -0.107 18733 6930 1 19 . 1 1 75 75 GLU CA C 75 59.293 59.293 58.723 0.570 18733 6931 1 19 . 1 1 75 75 GLU CB C 75 29.627 29.627 28.770 0.857 18733 6932 1 19 . 1 1 76 76 MET N N 76 119.200 119.200 119.155 0.045 18733 6933 1 19 . 1 1 76 76 MET HA H 76 4.250 4.250 4.214 0.036 18733 6934 1 19 . 1 1 76 76 MET CA C 76 60.058 60.058 58.554 1.504 18733 6935 1 19 . 1 1 76 76 MET CB C 76 32.751 32.751 32.669 0.082 18733 6936 1 19 . 1 1 77 77 LEU N N 77 125.191 125.191 120.447 4.744 18733 6937 1 19 . 1 1 77 77 LEU HA H 77 3.703 3.703 3.918 -0.215 18733 6938 1 19 . 1 1 77 77 LEU CA C 77 58.589 58.589 57.585 1.004 18733 6939 1 19 . 1 1 77 77 LEU CB C 77 41.650 41.650 41.755 -0.105 18733 6940 1 19 . 1 1 78 78 ASP N N 78 119.843 119.843 119.556 0.287 18733 6941 1 19 . 1 1 78 78 ASP HA H 78 4.177 4.177 4.270 -0.093 18733 6942 1 19 . 1 1 78 78 ASP CA C 78 58.584 58.584 57.829 0.755 18733 6943 1 19 . 1 1 78 78 ASP CB C 78 42.352 42.352 41.042 1.310 18733 6944 1 19 . 1 1 79 79 ALA N N 79 117.168 117.168 119.003 -1.835 18733 6945 1 19 . 1 1 79 79 ALA HA H 79 4.077 4.077 4.102 -0.025 18733 6946 1 19 . 1 1 79 79 ALA CA C 79 55.317 55.317 54.304 1.012 18733 6947 1 19 . 1 1 79 79 ALA CB C 79 18.335 18.335 18.681 -0.346 18733 6948 1 19 . 1 1 80 80 ASN N N 80 115.882 115.882 115.892 -0.010 18733 6949 1 19 . 1 1 80 80 ASN HA H 80 4.416 4.416 4.796 -0.380 18733 6950 1 19 . 1 1 80 80 ASN CA C 80 57.791 57.791 54.913 2.877 18733 6951 1 19 . 1 1 80 80 ASN CB C 80 40.251 40.251 39.165 1.086 18733 6952 1 19 . 1 1 81 81 MET N N 81 120.945 120.945 119.583 1.362 18733 6953 1 19 . 1 1 81 81 MET HA H 81 4.129 4.129 4.274 -0.145 18733 6954 1 19 . 1 1 81 81 MET CA C 81 58.954 58.954 58.289 0.665 18733 6955 1 19 . 1 1 81 81 MET CB C 81 31.937 31.937 32.309 -0.371 18733 6956 1 19 . 1 1 82 82 GLU N N 82 116.578 116.578 117.390 -0.812 18733 6957 1 19 . 1 1 82 82 GLU HA H 82 3.979 3.979 4.062 -0.083 18733 6958 1 19 . 1 1 82 82 GLU CA C 82 59.214 59.214 58.880 0.334 18733 6959 1 19 . 1 1 82 82 GLU CB C 82 29.207 29.207 28.755 0.452 18733 6960 1 19 . 1 1 83 83 ASP N N 83 119.199 119.199 121.276 -2.077 18733 6961 1 19 . 1 1 83 83 ASP HA H 83 4.399 4.399 4.347 0.052 18733 6962 1 19 . 1 1 83 83 ASP CA C 83 57.554 57.554 57.433 0.121 18733 6963 1 19 . 1 1 83 83 ASP CB C 83 42.088 42.088 40.390 1.698 18733 6964 1 19 . 1 1 84 84 TYR N N 84 117.904 117.904 118.161 -0.257 18733 6965 1 19 . 1 1 84 84 TYR HA H 84 3.931 3.931 4.425 -0.494 18733 6966 1 19 . 1 1 84 84 TYR CA C 84 63.663 63.663 61.072 2.591 18733 6967 1 19 . 1 1 84 84 TYR CB C 84 39.134 39.134 38.392 0.741 18733 6968 1 19 . 1 1 85 85 ILE N N 85 116.362 116.362 117.625 -1.263 18733 6969 1 19 . 1 1 85 85 ILE HA H 85 3.752 3.752 3.714 0.038 18733 6970 1 19 . 1 1 85 85 ILE CA C 85 66.287 66.287 64.352 1.935 18733 6971 1 19 . 1 1 85 85 ILE CB C 85 38.815 38.815 38.150 0.665 18733 6972 1 19 . 1 1 86 86 GLU N N 86 117.696 117.696 119.352 -1.656 18733 6973 1 19 . 1 1 86 86 GLU HA H 86 3.896 3.896 4.087 -0.191 18733 6974 1 19 . 1 1 86 86 GLU CA C 86 59.290 59.290 59.270 0.020 18733 6975 1 19 . 1 1 86 86 GLU CB C 86 29.660 29.660 29.221 0.439 18733 6976 1 19 . 1 1 87 87 ASN N N 87 113.943 113.943 116.925 -2.982 18733 6977 1 19 . 1 1 87 87 ASN HA H 87 4.933 4.933 4.724 0.209 18733 6978 1 19 . 1 1 87 87 ASN CA C 87 52.462 52.462 53.783 -1.321 18733 6979 1 19 . 1 1 87 87 ASN CB C 87 38.847 38.847 39.089 -0.242 18733 6980 1 19 . 1 1 88 88 PHE N N 88 123.733 123.733 122.774 0.959 18733 6981 1 19 . 1 1 88 88 PHE HA H 88 4.141 4.141 4.290 -0.149 18733 6982 1 19 . 1 1 88 88 PHE CA C 88 63.888 63.888 62.664 1.224 18733 6983 1 19 . 1 1 88 88 PHE CB C 88 41.768 41.768 39.224 2.545 18733 6984 1 19 . 1 1 89 89 ASP N N 89 117.257 117.257 117.950 -0.693 18733 6985 1 19 . 1 1 89 89 ASP HA H 89 4.386 4.386 4.072 0.314 18733 6986 1 19 . 1 1 89 89 ASP CA C 89 57.468 57.468 57.794 -0.326 18733 6987 1 19 . 1 1 89 89 ASP CB C 89 39.886 39.886 40.032 -0.146 18733 6988 1 19 . 1 1 90 90 HIS N N 90 121.385 121.385 120.279 1.106 18733 6989 1 19 . 1 1 90 90 HIS HA H 90 4.294 4.294 4.198 0.096 18733 6990 1 19 . 1 1 90 90 HIS CA C 90 59.081 59.081 59.607 -0.526 18733 6991 1 19 . 1 1 90 90 HIS CB C 90 29.949 29.949 29.946 0.003 18733 6992 1 19 . 1 1 91 91 TYR N N 91 118.440 118.440 118.910 -0.470 18733 6993 1 19 . 1 1 91 91 TYR HA H 91 4.192 4.192 4.542 -0.350 18733 6994 1 19 . 1 1 91 91 TYR CA C 91 59.618 59.618 60.407 -0.790 18733 6995 1 19 . 1 1 91 91 TYR CB C 91 36.860 36.860 38.029 -1.169 18733 6996 1 19 . 1 1 92 92 ARG N N 92 119.028 119.028 119.143 -0.115 18733 6997 1 19 . 1 1 92 92 ARG HA H 92 4.023 4.023 3.931 0.092 18733 6998 1 19 . 1 1 92 92 ARG CA C 92 57.308 57.308 57.967 -0.659 18733 6999 1 19 . 1 1 92 92 ARG CB C 92 29.129 29.129 29.465 -0.336 18733 7000 1 19 . 1 1 93 93 ALA N N 93 120.513 120.513 118.532 1.981 18733 7001 1 19 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.156 0.055 18733 7002 1 19 . 1 1 93 93 ALA CA C 93 53.603 53.603 54.067 -0.464 18733 7003 1 19 . 1 1 93 93 ALA CB C 93 18.864 18.864 19.397 -0.533 18733 7004 1 19 . 1 1 94 94 THR N N 94 108.668 108.668 110.117 -1.449 18733 7005 1 19 . 1 1 94 94 THR HA H 94 4.249 4.249 4.084 0.165 18733 7006 1 19 . 1 1 94 94 THR CA C 94 62.170 62.170 63.760 -1.590 18733 7007 1 19 . 1 1 94 94 THR CB C 94 70.164 70.164 68.829 1.335 18733 7008 1 19 . 1 1 95 95 GLN N N 95 122.873 122.873 121.942 0.931 18733 7009 1 19 . 1 1 95 95 GLN HA H 95 4.288 4.288 4.281 0.007 18733 7010 1 19 . 1 1 95 95 GLN CA C 95 56.073 56.073 56.399 -0.326 18733 7011 1 19 . 1 1 95 95 GLN CB C 95 28.903 28.903 29.318 -0.415 18733 7012 1 20 . 1 1 2 2 ASN HA H 2 4.590 4.590 4.782 -0.192 18733 7013 1 20 . 1 1 2 2 ASN CA C 2 53.554 53.554 53.339 0.215 18733 7014 1 20 . 1 1 2 2 ASN CB C 2 38.650 38.650 39.061 -0.411 18733 7015 1 20 . 1 1 3 3 ASN HA H 3 4.526 4.526 4.985 -0.459 18733 7016 1 20 . 1 1 3 3 ASN CA C 3 53.720 53.720 52.498 1.222 18733 7017 1 20 . 1 1 3 3 ASN CB C 3 38.473 38.473 39.923 -1.450 18733 7018 1 20 . 1 1 4 4 GLU N N 4 121.638 121.638 121.187 0.451 18733 7019 1 20 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.229 -0.143 18733 7020 1 20 . 1 1 4 4 GLU CA C 4 57.656 57.656 58.167 -0.511 18733 7021 1 20 . 1 1 4 4 GLU CB C 4 29.649 29.649 30.459 -0.810 18733 7022 1 20 . 1 1 5 5 ASN N N 5 118.543 118.543 115.835 2.708 18733 7023 1 20 . 1 1 5 5 ASN HA H 5 4.531 4.531 4.748 -0.217 18733 7024 1 20 . 1 1 5 5 ASN CA C 5 55.114 55.114 53.040 2.074 18733 7025 1 20 . 1 1 5 5 ASN CB C 5 38.417 38.417 39.211 -0.793 18733 7026 1 20 . 1 1 6 6 ALA N N 6 123.531 123.531 123.111 0.420 18733 7027 1 20 . 1 1 6 6 ALA HA H 6 4.057 4.057 3.922 0.135 18733 7028 1 20 . 1 1 6 6 ALA CA C 6 55.266 55.266 51.247 4.019 18733 7029 1 20 . 1 1 6 6 ALA CB C 6 18.099 18.099 18.744 -0.645 18733 7030 1 20 . 1 1 7 7 PHE N N 7 119.588 119.588 117.132 2.456 18733 7031 1 20 . 1 1 7 7 PHE HA H 7 3.777 3.777 4.615 -0.838 18733 7032 1 20 . 1 1 7 7 PHE CA C 7 61.179 61.179 55.039 6.140 18733 7033 1 20 . 1 1 7 7 PHE CB C 7 38.947 38.947 35.709 3.238 18733 7034 1 20 . 1 1 8 8 TYR N N 8 116.300 116.300 123.715 -7.415 18733 7035 1 20 . 1 1 8 8 TYR HA H 8 4.007 4.007 4.058 -0.051 18733 7036 1 20 . 1 1 8 8 TYR CA C 8 61.117 61.117 62.779 -1.662 18733 7037 1 20 . 1 1 8 8 TYR CB C 8 37.370 37.370 36.787 0.583 18733 7038 1 20 . 1 1 9 9 ALA N N 9 124.516 124.516 118.291 6.225 18733 7039 1 20 . 1 1 9 9 ALA HA H 9 4.074 4.074 4.164 -0.090 18733 7040 1 20 . 1 1 9 9 ALA CA C 9 55.415 55.415 54.247 1.168 18733 7041 1 20 . 1 1 9 9 ALA CB C 9 17.797 17.797 18.330 -0.533 18733 7042 1 20 . 1 1 10 10 ARG N N 10 118.255 118.255 117.366 0.889 18733 7043 1 20 . 1 1 10 10 ARG HA H 10 3.857 3.857 4.203 -0.346 18733 7044 1 20 . 1 1 10 10 ARG CA C 10 60.070 60.070 57.900 2.170 18733 7045 1 20 . 1 1 10 10 ARG CB C 10 31.179 31.179 30.044 1.135 18733 7046 1 20 . 1 1 11 11 ALA N N 11 119.258 119.258 121.780 -2.522 18733 7047 1 20 . 1 1 11 11 ALA HA H 11 4.079 4.079 4.297 -0.218 18733 7048 1 20 . 1 1 11 11 ALA CA C 11 55.152 55.152 54.586 0.566 18733 7049 1 20 . 1 1 11 11 ALA CB C 11 19.072 19.072 18.040 1.032 18733 7050 1 20 . 1 1 12 12 THR N N 12 114.669 114.669 115.232 -0.563 18733 7051 1 20 . 1 1 12 12 THR HA H 12 3.761 3.761 3.925 -0.164 18733 7052 1 20 . 1 1 12 12 THR CA C 12 67.028 67.028 67.544 -0.516 18733 7053 1 20 . 1 1 12 12 THR CB C 12 68.661 68.661 68.574 0.087 18733 7054 1 20 . 1 1 13 13 GLU N N 13 120.838 120.838 120.643 0.195 18733 7055 1 20 . 1 1 13 13 GLU HA H 13 3.782 3.782 4.226 -0.444 18733 7056 1 20 . 1 1 13 13 GLU CA C 13 59.781 59.781 58.680 1.101 18733 7057 1 20 . 1 1 13 13 GLU CB C 13 29.713 29.713 29.504 0.209 18733 7058 1 20 . 1 1 14 14 LEU N N 14 119.831 119.831 120.570 -0.739 18733 7059 1 20 . 1 1 14 14 LEU HA H 14 3.616 3.616 4.205 -0.589 18733 7060 1 20 . 1 1 14 14 LEU CA C 14 58.363 58.363 57.833 0.530 18733 7061 1 20 . 1 1 14 14 LEU CB C 14 42.109 42.109 41.518 0.591 18733 7062 1 20 . 1 1 15 15 ILE N N 15 119.150 119.150 118.065 1.085 18733 7063 1 20 . 1 1 15 15 ILE HA H 15 3.376 3.376 3.618 -0.242 18733 7064 1 20 . 1 1 15 15 ILE CA C 15 66.274 66.274 64.617 1.657 18733 7065 1 20 . 1 1 15 15 ILE CB C 15 38.343 38.343 37.417 0.926 18733 7066 1 20 . 1 1 16 16 LYS N N 16 118.734 118.734 120.671 -1.937 18733 7067 1 20 . 1 1 16 16 LYS HA H 16 3.808 3.808 4.045 -0.237 18733 7068 1 20 . 1 1 16 16 LYS CA C 16 59.950 59.950 59.047 0.903 18733 7069 1 20 . 1 1 16 16 LYS CB C 16 32.109 32.109 31.717 0.392 18733 7070 1 20 . 1 1 17 17 LEU N N 17 121.376 121.376 119.526 1.850 18733 7071 1 20 . 1 1 17 17 LEU HA H 17 4.017 4.017 4.191 -0.174 18733 7072 1 20 . 1 1 17 17 LEU CA C 17 57.733 57.733 57.433 0.300 18733 7073 1 20 . 1 1 17 17 LEU CB C 17 40.385 40.385 41.191 -0.805 18733 7074 1 20 . 1 1 18 18 ALA N N 18 123.298 123.298 121.404 1.894 18733 7075 1 20 . 1 1 18 18 ALA HA H 18 3.547 3.547 4.104 -0.557 18733 7076 1 20 . 1 1 18 18 ALA CA C 18 55.031 55.031 54.713 0.318 18733 7077 1 20 . 1 1 18 18 ALA CB C 18 17.716 17.716 18.576 -0.860 18733 7078 1 20 . 1 1 19 19 ASN N N 19 114.581 114.581 117.442 -2.861 18733 7079 1 20 . 1 1 19 19 ASN HA H 19 4.504 4.504 4.418 0.086 18733 7080 1 20 . 1 1 19 19 ASN CA C 19 55.633 55.633 56.086 -0.453 18733 7081 1 20 . 1 1 19 19 ASN CB C 19 37.683 37.683 37.836 -0.152 18733 7082 1 20 . 1 1 20 20 GLN N N 20 122.054 122.054 117.466 4.588 18733 7083 1 20 . 1 1 20 20 GLN HA H 20 3.959 3.959 4.315 -0.356 18733 7084 1 20 . 1 1 20 20 GLN CA C 20 58.913 58.913 58.197 0.716 18733 7085 1 20 . 1 1 20 20 GLN CB C 20 28.293 28.293 27.996 0.297 18733 7086 1 20 . 1 1 21 21 GLN N N 21 120.962 120.962 116.301 4.661 18733 7087 1 20 . 1 1 21 21 GLN HA H 21 3.863 3.863 4.231 -0.368 18733 7088 1 20 . 1 1 21 21 GLN CA C 21 58.371 58.371 57.984 0.387 18733 7089 1 20 . 1 1 21 21 GLN CB C 21 27.603 27.603 29.035 -1.432 18733 7090 1 20 . 1 1 22 22 ASN N N 22 114.486 114.486 118.825 -4.339 18733 7091 1 20 . 1 1 22 22 ASN HA H 22 4.550 4.550 4.490 0.060 18733 7092 1 20 . 1 1 22 22 ASN CA C 22 53.545 53.545 55.301 -1.756 18733 7093 1 20 . 1 1 22 22 ASN CB C 22 39.752 39.752 38.603 1.149 18733 7094 1 20 . 1 1 23 23 GLN N N 23 117.002 117.002 116.567 0.435 18733 7095 1 20 . 1 1 23 23 GLN HA H 23 4.121 4.121 4.117 0.004 18733 7096 1 20 . 1 1 23 23 GLN CA C 23 56.336 56.336 57.033 -0.697 18733 7097 1 20 . 1 1 23 23 GLN CB C 23 28.367 28.367 28.836 -0.469 18733 7098 1 20 . 1 1 24 24 ASN N N 24 117.868 117.868 118.667 -0.799 18733 7099 1 20 . 1 1 24 24 ASN HA H 24 4.554 4.554 4.624 -0.070 18733 7100 1 20 . 1 1 24 24 ASN CA C 24 53.550 53.550 53.657 -0.107 18733 7101 1 20 . 1 1 24 24 ASN CB C 24 38.856 38.856 38.815 0.042 18733 7102 1 20 . 1 1 25 25 THR N N 25 115.612 115.612 121.264 -5.652 18733 7103 1 20 . 1 1 25 25 THR HA H 25 4.193 4.193 4.043 0.150 18733 7104 1 20 . 1 1 25 25 THR CA C 25 63.026 63.026 64.538 -1.512 18733 7105 1 20 . 1 1 25 25 THR CB C 25 69.388 69.388 69.168 0.220 18733 7106 1 20 . 1 1 26 26 GLU N N 26 119.600 119.600 118.358 1.242 18733 7107 1 20 . 1 1 26 26 GLU HA H 26 4.213 4.213 4.252 -0.039 18733 7108 1 20 . 1 1 26 26 GLU CA C 26 56.803 56.803 56.569 0.234 18733 7109 1 20 . 1 1 26 26 GLU CB C 26 29.566 29.566 29.164 0.402 18733 7110 1 20 . 1 1 27 27 ILE N N 27 118.383 118.383 121.352 -2.969 18733 7111 1 20 . 1 1 27 27 ILE HA H 27 4.320 4.320 4.284 0.036 18733 7112 1 20 . 1 1 27 27 ILE CA C 27 59.638 59.638 60.352 -0.714 18733 7113 1 20 . 1 1 27 27 ILE CB C 27 39.531 39.531 39.694 -0.164 18733 7114 1 20 . 1 1 28 28 GLN N N 28 122.321 122.321 122.812 -0.491 18733 7115 1 20 . 1 1 28 28 GLN HA H 28 4.593 4.593 4.430 0.163 18733 7116 1 20 . 1 1 28 28 GLN CA C 28 54.684 54.684 55.716 -1.032 18733 7117 1 20 . 1 1 28 28 GLN CB C 28 30.183 30.183 29.143 1.040 18733 7118 1 20 . 1 1 29 29 THR N N 29 119.517 119.517 116.257 3.260 18733 7119 1 20 . 1 1 29 29 THR HA H 29 3.916 3.916 4.166 -0.250 18733 7120 1 20 . 1 1 29 29 THR CA C 29 65.895 65.895 65.308 0.587 18733 7121 1 20 . 1 1 29 29 THR CB C 29 68.708 68.708 68.438 0.270 18733 7122 1 20 . 1 1 30 30 GLY N N 30 109.285 109.285 108.628 0.657 18733 7123 1 20 . 1 1 30 30 GLY CA C 30 47.126 47.126 46.171 0.955 18733 7124 1 20 . 1 1 31 31 GLU N N 31 120.940 120.940 121.362 -0.422 18733 7125 1 20 . 1 1 31 31 GLU HA H 31 4.259 4.259 4.208 0.051 18733 7126 1 20 . 1 1 31 31 GLU CA C 31 59.424 59.424 59.159 0.265 18733 7127 1 20 . 1 1 31 31 GLU CB C 31 29.410 29.410 29.533 -0.123 18733 7128 1 20 . 1 1 32 32 VAL N N 32 122.718 122.718 119.247 3.471 18733 7129 1 20 . 1 1 32 32 VAL HA H 32 3.568 3.568 3.881 -0.313 18733 7130 1 20 . 1 1 32 32 VAL CA C 32 66.122 66.122 65.798 0.324 18733 7131 1 20 . 1 1 32 32 VAL CB C 32 31.157 31.157 31.039 0.118 18733 7132 1 20 . 1 1 33 33 SER N N 33 114.886 114.886 116.653 -1.767 18733 7133 1 20 . 1 1 33 33 SER HA H 33 4.112 4.112 4.180 -0.068 18733 7134 1 20 . 1 1 33 33 SER CA C 33 62.119 62.119 61.918 0.201 18733 7135 1 20 . 1 1 33 33 SER CB C 33 63.293 63.293 62.742 0.550 18733 7136 1 20 . 1 1 34 34 ALA N N 34 121.240 121.240 123.747 -2.507 18733 7137 1 20 . 1 1 34 34 ALA HA H 34 4.505 4.505 4.234 0.271 18733 7138 1 20 . 1 1 34 34 ALA CA C 34 55.790 55.790 54.825 0.965 18733 7139 1 20 . 1 1 34 34 ALA CB C 34 18.845 18.845 18.210 0.635 18733 7140 1 20 . 1 1 35 35 SER N N 35 111.131 111.131 116.191 -5.060 18733 7141 1 20 . 1 1 35 35 SER HA H 35 3.420 3.420 4.326 -0.906 18733 7142 1 20 . 1 1 35 35 SER CA C 35 61.316 61.316 62.453 -1.137 18733 7143 1 20 . 1 1 35 35 SER CB C 35 62.547 62.547 63.161 -0.614 18733 7144 1 20 . 1 1 36 36 PHE N N 36 127.676 127.676 123.003 4.673 18733 7145 1 20 . 1 1 36 36 PHE HA H 36 4.490 4.490 4.240 0.250 18733 7146 1 20 . 1 1 36 36 PHE CA C 36 57.592 57.592 61.585 -3.993 18733 7147 1 20 . 1 1 36 36 PHE CB C 36 38.111 38.111 39.299 -1.188 18733 7148 1 20 . 1 1 37 37 MET N N 37 119.851 119.851 120.158 -0.307 18733 7149 1 20 . 1 1 37 37 MET HA H 37 3.859 3.859 4.152 -0.293 18733 7150 1 20 . 1 1 37 37 MET CA C 37 59.444 59.444 58.881 0.563 18733 7151 1 20 . 1 1 37 37 MET CB C 37 33.517 33.517 32.433 1.084 18733 7152 1 20 . 1 1 38 38 TRP N N 38 121.153 121.153 120.251 0.902 18733 7153 1 20 . 1 1 38 38 TRP HA H 38 3.981 3.981 4.304 -0.323 18733 7154 1 20 . 1 1 38 38 TRP CA C 38 62.129 62.129 60.037 2.092 18733 7155 1 20 . 1 1 38 38 TRP CB C 38 29.930 29.930 29.941 -0.011 18733 7156 1 20 . 1 1 39 39 ALA N N 39 119.518 119.518 122.420 -2.902 18733 7157 1 20 . 1 1 39 39 ALA HA H 39 3.880 3.880 3.796 0.084 18733 7158 1 20 . 1 1 39 39 ALA CA C 39 55.231 55.231 54.802 0.429 18733 7159 1 20 . 1 1 39 39 ALA CB C 39 20.477 20.477 17.835 2.642 18733 7160 1 20 . 1 1 40 40 LEU N N 40 116.794 116.794 119.066 -2.272 18733 7161 1 20 . 1 1 40 40 LEU HA H 40 2.741 2.741 3.889 -1.148 18733 7162 1 20 . 1 1 40 40 LEU CA C 40 56.979 56.979 57.031 -0.052 18733 7163 1 20 . 1 1 40 40 LEU CB C 40 40.563 40.563 41.246 -0.683 18733 7164 1 20 . 1 1 41 41 ALA N N 41 120.249 120.249 121.413 -1.164 18733 7165 1 20 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.843 -0.180 18733 7166 1 20 . 1 1 41 41 ALA CA C 41 54.943 54.943 55.025 -0.082 18733 7167 1 20 . 1 1 41 41 ALA CB C 41 17.512 17.512 17.904 -0.392 18733 7168 1 20 . 1 1 42 42 ARG N N 42 118.787 118.787 117.620 1.167 18733 7169 1 20 . 1 1 42 42 ARG HA H 42 3.315 3.315 3.817 -0.502 18733 7170 1 20 . 1 1 42 42 ARG CA C 42 60.027 60.027 58.833 1.194 18733 7171 1 20 . 1 1 42 42 ARG CB C 42 29.084 29.084 30.020 -0.936 18733 7172 1 20 . 1 1 43 43 TYR N N 43 122.429 122.429 119.602 2.827 18733 7173 1 20 . 1 1 43 43 TYR HA H 43 3.956 3.956 4.132 -0.176 18733 7174 1 20 . 1 1 43 43 TYR CA C 43 63.225 63.225 60.989 2.236 18733 7175 1 20 . 1 1 43 43 TYR CB C 43 39.819 39.819 38.542 1.277 18733 7176 1 20 . 1 1 44 44 ASN N N 44 116.736 116.736 116.823 -0.087 18733 7177 1 20 . 1 1 44 44 ASN HA H 44 4.170 4.170 4.610 -0.440 18733 7178 1 20 . 1 1 44 44 ASN CA C 44 56.267 56.267 55.084 1.183 18733 7179 1 20 . 1 1 44 44 ASN CB C 44 37.894 37.894 38.244 -0.350 18733 7180 1 20 . 1 1 45 45 ALA N N 45 124.950 124.950 122.167 2.783 18733 7181 1 20 . 1 1 45 45 ALA HA H 45 3.862 3.862 4.260 -0.398 18733 7182 1 20 . 1 1 45 45 ALA CA C 45 55.465 55.465 54.394 1.071 18733 7183 1 20 . 1 1 45 45 ALA CB C 45 18.587 18.587 18.045 0.542 18733 7184 1 20 . 1 1 46 46 TRP N N 46 119.686 119.686 121.066 -1.380 18733 7185 1 20 . 1 1 46 46 TRP HA H 46 2.849 2.849 4.134 -1.285 18733 7186 1 20 . 1 1 46 46 TRP CA C 46 60.783 60.783 60.790 -0.007 18733 7187 1 20 . 1 1 46 46 TRP CB C 46 26.470 26.470 29.056 -2.586 18733 7188 1 20 . 1 1 47 47 PHE N N 47 121.090 121.090 116.681 4.409 18733 7189 1 20 . 1 1 47 47 PHE HA H 47 2.939 2.939 4.452 -1.513 18733 7190 1 20 . 1 1 47 47 PHE CA C 47 59.116 59.116 59.205 -0.088 18733 7191 1 20 . 1 1 47 47 PHE CB C 47 38.212 38.212 38.566 -0.353 18733 7192 1 20 . 1 1 48 48 GLY N N 48 109.386 109.386 108.383 1.003 18733 7193 1 20 . 1 1 48 48 GLY CA C 48 47.209 47.209 47.425 -0.216 18733 7194 1 20 . 1 1 49 49 SER N N 49 118.098 118.098 113.428 4.670 18733 7195 1 20 . 1 1 49 49 SER CA C 49 62.016 62.016 59.798 2.218 18733 7196 1 20 . 1 1 49 49 SER CB C 49 63.411 63.411 63.340 0.071 18733 7197 1 20 . 1 1 50 50 THR N N 50 110.801 110.801 109.574 1.227 18733 7198 1 20 . 1 1 50 50 THR HA H 50 3.851 3.851 4.354 -0.503 18733 7199 1 20 . 1 1 50 50 THR CA C 50 63.914 63.914 62.408 1.506 18733 7200 1 20 . 1 1 50 50 THR CB C 50 69.676 69.676 69.695 -0.019 18733 7201 1 20 . 1 1 51 51 SER N N 51 115.249 115.249 117.093 -1.844 18733 7202 1 20 . 1 1 51 51 SER HA H 51 3.990 3.990 4.296 -0.306 18733 7203 1 20 . 1 1 51 51 SER CA C 51 59.360 59.360 60.543 -1.183 18733 7204 1 20 . 1 1 51 51 SER CB C 51 63.142 63.142 63.915 -0.773 18733 7205 1 20 . 1 1 52 52 PHE N N 52 118.004 118.004 117.025 0.979 18733 7206 1 20 . 1 1 52 52 PHE HA H 52 4.861 4.861 4.675 0.186 18733 7207 1 20 . 1 1 52 52 PHE CA C 52 57.045 57.045 57.127 -0.082 18733 7208 1 20 . 1 1 52 52 PHE CB C 52 42.165 42.165 42.072 0.093 18733 7209 1 20 . 1 1 53 53 GLU N N 53 119.224 119.224 118.925 0.299 18733 7210 1 20 . 1 1 53 53 GLU HA H 53 4.415 4.415 4.318 0.097 18733 7211 1 20 . 1 1 53 53 GLU CA C 53 57.653 57.653 57.327 0.326 18733 7212 1 20 . 1 1 53 53 GLU CB C 53 31.679 31.679 30.247 1.433 18733 7213 1 20 . 1 1 54 54 THR N N 54 105.230 105.230 111.474 -6.244 18733 7214 1 20 . 1 1 54 54 THR HA H 54 4.529 4.529 4.528 0.001 18733 7215 1 20 . 1 1 54 54 THR CA C 54 58.360 58.360 59.722 -1.363 18733 7216 1 20 . 1 1 54 54 THR CB C 54 73.366 73.366 72.168 1.198 18733 7217 1 20 . 1 1 55 55 LYS N N 55 122.509 122.509 122.394 0.115 18733 7218 1 20 . 1 1 55 55 LYS HA H 55 2.752 2.752 3.968 -1.216 18733 7219 1 20 . 1 1 55 55 LYS CA C 55 58.567 58.567 59.105 -0.538 18733 7220 1 20 . 1 1 55 55 LYS CB C 55 32.829 32.829 31.850 0.979 18733 7221 1 20 . 1 1 56 56 GLU N N 56 117.867 117.867 119.308 -1.441 18733 7222 1 20 . 1 1 56 56 GLU HA H 56 3.785 3.785 3.971 -0.186 18733 7223 1 20 . 1 1 56 56 GLU CA C 56 60.334 60.334 59.614 0.720 18733 7224 1 20 . 1 1 56 56 GLU CB C 56 28.185 28.185 29.192 -1.008 18733 7225 1 20 . 1 1 57 57 GLN N N 57 119.487 119.487 117.801 1.686 18733 7226 1 20 . 1 1 57 57 GLN HA H 57 3.788 3.788 3.828 -0.040 18733 7227 1 20 . 1 1 57 57 GLN CA C 57 58.056 58.056 57.581 0.475 18733 7228 1 20 . 1 1 57 57 GLN CB C 57 28.577 28.577 28.343 0.234 18733 7229 1 20 . 1 1 58 58 MET N N 58 118.284 118.284 119.641 -1.357 18733 7230 1 20 . 1 1 58 58 MET HA H 58 2.029 2.029 4.253 -2.224 18733 7231 1 20 . 1 1 58 58 MET CA C 58 58.862 58.862 58.957 -0.095 18733 7232 1 20 . 1 1 58 58 MET CB C 58 30.814 30.814 32.677 -1.863 18733 7233 1 20 . 1 1 59 59 GLN N N 59 116.663 116.663 118.437 -1.774 18733 7234 1 20 . 1 1 59 59 GLN HA H 59 3.578 3.578 4.046 -0.468 18733 7235 1 20 . 1 1 59 59 GLN CA C 59 59.361 59.361 58.728 0.633 18733 7236 1 20 . 1 1 59 59 GLN CB C 59 28.975 28.975 29.003 -0.028 18733 7237 1 20 . 1 1 60 60 ALA N N 60 119.084 119.084 121.490 -2.406 18733 7238 1 20 . 1 1 60 60 ALA HA H 60 4.028 4.028 4.163 -0.135 18733 7239 1 20 . 1 1 60 60 ALA CA C 60 54.245 54.245 54.485 -0.240 18733 7240 1 20 . 1 1 60 60 ALA CB C 60 18.161 18.161 18.489 -0.328 18733 7241 1 20 . 1 1 61 61 LYS N N 61 115.215 115.215 116.921 -1.706 18733 7242 1 20 . 1 1 61 61 LYS HA H 61 4.517 4.517 4.789 -0.272 18733 7243 1 20 . 1 1 61 61 LYS CA C 61 54.188 54.188 54.826 -0.638 18733 7244 1 20 . 1 1 61 61 LYS CB C 61 33.239 33.239 31.424 1.815 18733 7245 1 20 . 1 1 62 62 LYS N N 62 122.199 122.199 119.903 2.296 18733 7246 1 20 . 1 1 62 62 LYS HA H 62 3.582 3.582 3.969 -0.387 18733 7247 1 20 . 1 1 62 62 LYS CA C 62 61.271 61.271 59.738 1.533 18733 7248 1 20 . 1 1 62 62 LYS CB C 62 33.052 33.052 31.595 1.457 18733 7249 1 20 . 1 1 63 63 GLN N N 63 117.101 117.101 118.337 -1.236 18733 7250 1 20 . 1 1 63 63 GLN HA H 63 3.767 3.767 4.158 -0.391 18733 7251 1 20 . 1 1 63 63 GLN CA C 63 58.948 58.948 57.987 0.961 18733 7252 1 20 . 1 1 63 63 GLN CB C 63 27.823 27.823 28.387 -0.564 18733 7253 1 20 . 1 1 64 64 GLU N N 64 119.459 119.459 117.622 1.837 18733 7254 1 20 . 1 1 64 64 GLU HA H 64 4.035 4.035 4.295 -0.260 18733 7255 1 20 . 1 1 64 64 GLU CA C 64 59.672 59.672 58.579 1.093 18733 7256 1 20 . 1 1 64 64 GLU CB C 64 29.755 29.755 29.979 -0.224 18733 7257 1 20 . 1 1 65 65 MET N N 65 118.493 118.493 116.641 1.852 18733 7258 1 20 . 1 1 65 65 MET HA H 65 4.077 4.077 4.346 -0.269 18733 7259 1 20 . 1 1 65 65 MET CA C 65 59.488 59.488 58.160 1.327 18733 7260 1 20 . 1 1 65 65 MET CB C 65 34.335 34.335 33.262 1.073 18733 7261 1 20 . 1 1 66 66 MET N N 66 117.848 117.848 118.204 -0.356 18733 7262 1 20 . 1 1 66 66 MET HA H 66 4.127 4.127 4.378 -0.251 18733 7263 1 20 . 1 1 66 66 MET CA C 66 59.790 59.790 57.400 2.390 18733 7264 1 20 . 1 1 66 66 MET CB C 66 31.196 31.196 32.237 -1.041 18733 7265 1 20 . 1 1 67 67 ASP N N 67 118.987 118.987 121.128 -2.141 18733 7266 1 20 . 1 1 67 67 ASP HA H 67 4.283 4.283 4.415 -0.132 18733 7267 1 20 . 1 1 67 67 ASP CA C 67 57.892 57.892 57.381 0.511 18733 7268 1 20 . 1 1 67 67 ASP CB C 67 39.885 39.885 40.910 -1.024 18733 7269 1 20 . 1 1 68 68 TYR N N 68 119.790 119.790 116.477 3.313 18733 7270 1 20 . 1 1 68 68 TYR HA H 68 4.118 4.118 4.833 -0.715 18733 7271 1 20 . 1 1 68 68 TYR CA C 68 61.588 61.588 58.843 2.745 18733 7272 1 20 . 1 1 68 68 TYR CB C 68 37.806 37.806 38.968 -1.162 18733 7273 1 20 . 1 1 69 69 TYR N N 69 118.552 118.552 117.463 1.089 18733 7274 1 20 . 1 1 69 69 TYR HA H 69 4.057 4.057 4.343 -0.286 18733 7275 1 20 . 1 1 69 69 TYR CA C 69 62.536 62.536 59.242 3.295 18733 7276 1 20 . 1 1 69 69 TYR CB C 69 37.582 37.582 38.159 -0.577 18733 7277 1 20 . 1 1 70 70 MET N N 70 117.939 117.939 116.981 0.958 18733 7278 1 20 . 1 1 70 70 MET HA H 70 4.489 4.489 4.264 0.225 18733 7279 1 20 . 1 1 70 70 MET CA C 70 58.947 58.947 58.220 0.727 18733 7280 1 20 . 1 1 70 70 MET CB C 70 31.380 31.380 33.156 -1.776 18733 7281 1 20 . 1 1 71 71 ASP N N 71 120.118 120.118 118.203 1.915 18733 7282 1 20 . 1 1 71 71 ASP HA H 71 4.390 4.390 4.778 -0.388 18733 7283 1 20 . 1 1 71 71 ASP CA C 71 57.730 57.730 54.280 3.450 18733 7284 1 20 . 1 1 71 71 ASP CB C 71 40.050 40.050 40.453 -0.404 18733 7285 1 20 . 1 1 72 72 ARG N N 72 118.091 118.091 122.978 -4.887 18733 7286 1 20 . 1 1 72 72 ARG HA H 72 4.107 4.107 4.568 -0.461 18733 7287 1 20 . 1 1 72 72 ARG CA C 72 58.260 58.260 56.984 1.276 18733 7288 1 20 . 1 1 72 72 ARG CB C 72 31.091 31.091 32.801 -1.710 18733 7289 1 20 . 1 1 73 73 TYR N N 73 121.878 121.878 119.818 2.060 18733 7290 1 20 . 1 1 73 73 TYR HA H 73 4.178 4.178 4.634 -0.456 18733 7291 1 20 . 1 1 73 73 TYR CA C 73 61.440 61.440 56.205 5.235 18733 7292 1 20 . 1 1 73 73 TYR CB C 73 38.677 38.677 37.340 1.337 18733 7293 1 20 . 1 1 74 74 LYS N N 74 119.791 119.791 122.136 -2.345 18733 7294 1 20 . 1 1 74 74 LYS HA H 74 3.564 3.564 3.592 -0.028 18733 7295 1 20 . 1 1 74 74 LYS CA C 74 60.621 60.621 60.126 0.495 18733 7296 1 20 . 1 1 74 74 LYS CB C 74 32.225 32.225 31.924 0.301 18733 7297 1 20 . 1 1 75 75 GLU N N 75 116.140 116.140 117.804 -1.664 18733 7298 1 20 . 1 1 75 75 GLU HA H 75 4.004 4.004 4.056 -0.052 18733 7299 1 20 . 1 1 75 75 GLU CA C 75 59.293 59.293 58.784 0.509 18733 7300 1 20 . 1 1 75 75 GLU CB C 75 29.627 29.627 28.798 0.829 18733 7301 1 20 . 1 1 76 76 MET N N 76 119.200 119.200 119.144 0.056 18733 7302 1 20 . 1 1 76 76 MET HA H 76 4.250 4.250 4.147 0.103 18733 7303 1 20 . 1 1 76 76 MET CA C 76 60.058 60.058 58.694 1.363 18733 7304 1 20 . 1 1 76 76 MET CB C 76 32.751 32.751 32.730 0.021 18733 7305 1 20 . 1 1 77 77 LEU N N 77 125.191 125.191 119.332 5.859 18733 7306 1 20 . 1 1 77 77 LEU HA H 77 3.703 3.703 3.947 -0.244 18733 7307 1 20 . 1 1 77 77 LEU CA C 77 58.589 58.589 57.382 1.207 18733 7308 1 20 . 1 1 77 77 LEU CB C 77 41.650 41.650 41.831 -0.181 18733 7309 1 20 . 1 1 78 78 ASP N N 78 119.843 119.843 120.440 -0.597 18733 7310 1 20 . 1 1 78 78 ASP HA H 78 4.177 4.177 4.309 -0.132 18733 7311 1 20 . 1 1 78 78 ASP CA C 78 58.584 58.584 57.312 1.272 18733 7312 1 20 . 1 1 78 78 ASP CB C 78 42.352 42.352 40.883 1.469 18733 7313 1 20 . 1 1 79 79 ALA N N 79 117.168 117.168 120.023 -2.855 18733 7314 1 20 . 1 1 79 79 ALA HA H 79 4.077 4.077 4.207 -0.130 18733 7315 1 20 . 1 1 79 79 ALA CA C 79 55.317 55.317 54.013 1.304 18733 7316 1 20 . 1 1 79 79 ALA CB C 79 18.335 18.335 18.734 -0.399 18733 7317 1 20 . 1 1 80 80 ASN N N 80 115.882 115.882 114.952 0.930 18733 7318 1 20 . 1 1 80 80 ASN HA H 80 4.416 4.416 4.874 -0.458 18733 7319 1 20 . 1 1 80 80 ASN CA C 80 57.791 57.791 52.998 4.793 18733 7320 1 20 . 1 1 80 80 ASN CB C 80 40.251 40.251 39.691 0.560 18733 7321 1 20 . 1 1 81 81 MET N N 81 120.945 120.945 119.159 1.786 18733 7322 1 20 . 1 1 81 81 MET HA H 81 4.129 4.129 4.475 -0.346 18733 7323 1 20 . 1 1 81 81 MET CA C 81 58.954 58.954 55.954 3.000 18733 7324 1 20 . 1 1 81 81 MET CB C 81 31.937 31.937 33.464 -1.527 18733 7325 1 20 . 1 1 82 82 GLU N N 82 116.578 116.578 113.999 2.579 18733 7326 1 20 . 1 1 82 82 GLU HA H 82 3.979 3.979 3.980 -0.001 18733 7327 1 20 . 1 1 82 82 GLU CA C 82 59.214 59.214 58.238 0.976 18733 7328 1 20 . 1 1 82 82 GLU CB C 82 29.207 29.207 28.595 0.612 18733 7329 1 20 . 1 1 83 83 ASP N N 83 119.199 119.199 119.480 -0.281 18733 7330 1 20 . 1 1 83 83 ASP HA H 83 4.399 4.399 4.269 0.130 18733 7331 1 20 . 1 1 83 83 ASP CA C 83 57.554 57.554 56.858 0.696 18733 7332 1 20 . 1 1 83 83 ASP CB C 83 42.088 42.088 40.515 1.573 18733 7333 1 20 . 1 1 84 84 TYR N N 84 117.904 117.904 116.065 1.839 18733 7334 1 20 . 1 1 84 84 TYR HA H 84 3.931 3.931 4.689 -0.758 18733 7335 1 20 . 1 1 84 84 TYR CA C 84 63.663 63.663 59.338 4.325 18733 7336 1 20 . 1 1 84 84 TYR CB C 84 39.134 39.134 38.281 0.853 18733 7337 1 20 . 1 1 85 85 ILE N N 85 116.362 116.362 118.761 -2.399 18733 7338 1 20 . 1 1 85 85 ILE HA H 85 3.752 3.752 3.896 -0.144 18733 7339 1 20 . 1 1 85 85 ILE CA C 85 66.287 66.287 63.825 2.462 18733 7340 1 20 . 1 1 85 85 ILE CB C 85 38.815 38.815 38.052 0.763 18733 7341 1 20 . 1 1 86 86 GLU N N 86 117.696 117.696 119.908 -2.212 18733 7342 1 20 . 1 1 86 86 GLU HA H 86 3.896 3.896 4.114 -0.218 18733 7343 1 20 . 1 1 86 86 GLU CA C 86 59.290 59.290 59.206 0.083 18733 7344 1 20 . 1 1 86 86 GLU CB C 86 29.660 29.660 29.216 0.444 18733 7345 1 20 . 1 1 87 87 ASN N N 87 113.943 113.943 117.432 -3.489 18733 7346 1 20 . 1 1 87 87 ASN HA H 87 4.933 4.933 4.764 0.169 18733 7347 1 20 . 1 1 87 87 ASN CA C 87 52.462 52.462 54.036 -1.574 18733 7348 1 20 . 1 1 87 87 ASN CB C 87 38.847 38.847 38.685 0.162 18733 7349 1 20 . 1 1 88 88 PHE N N 88 123.733 123.733 122.662 1.071 18733 7350 1 20 . 1 1 88 88 PHE HA H 88 4.141 4.141 4.406 -0.265 18733 7351 1 20 . 1 1 88 88 PHE CA C 88 63.888 63.888 62.203 1.685 18733 7352 1 20 . 1 1 88 88 PHE CB C 88 41.768 41.768 39.380 2.388 18733 7353 1 20 . 1 1 89 89 ASP N N 89 117.257 117.257 118.196 -0.939 18733 7354 1 20 . 1 1 89 89 ASP HA H 89 4.386 4.386 4.116 0.270 18733 7355 1 20 . 1 1 89 89 ASP CA C 89 57.468 57.468 57.795 -0.327 18733 7356 1 20 . 1 1 89 89 ASP CB C 89 39.886 39.886 40.189 -0.303 18733 7357 1 20 . 1 1 90 90 HIS N N 90 121.385 121.385 120.443 0.942 18733 7358 1 20 . 1 1 90 90 HIS HA H 90 4.294 4.294 4.181 0.114 18733 7359 1 20 . 1 1 90 90 HIS CA C 90 59.081 59.081 59.492 -0.411 18733 7360 1 20 . 1 1 90 90 HIS CB C 90 29.949 29.949 30.002 -0.053 18733 7361 1 20 . 1 1 91 91 TYR N N 91 118.440 118.440 120.750 -2.310 18733 7362 1 20 . 1 1 91 91 TYR HA H 91 4.192 4.192 4.578 -0.386 18733 7363 1 20 . 1 1 91 91 TYR CA C 91 59.618 59.618 61.339 -1.721 18733 7364 1 20 . 1 1 91 91 TYR CB C 91 36.860 36.860 38.252 -1.392 18733 7365 1 20 . 1 1 92 92 ARG N N 92 119.028 119.028 119.654 -0.626 18733 7366 1 20 . 1 1 92 92 ARG HA H 92 4.023 4.023 3.929 0.094 18733 7367 1 20 . 1 1 92 92 ARG CA C 92 57.308 57.308 57.406 -0.098 18733 7368 1 20 . 1 1 92 92 ARG CB C 92 29.129 29.129 29.363 -0.234 18733 7369 1 20 . 1 1 93 93 ALA N N 93 120.513 120.513 119.063 1.450 18733 7370 1 20 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.318 -0.107 18733 7371 1 20 . 1 1 93 93 ALA CA C 93 53.603 53.603 53.492 0.111 18733 7372 1 20 . 1 1 93 93 ALA CB C 93 18.864 18.864 19.827 -0.963 18733 7373 1 20 . 1 1 94 94 THR N N 94 108.668 108.668 110.862 -2.194 18733 7374 1 20 . 1 1 94 94 THR HA H 94 4.249 4.249 4.219 0.030 18733 7375 1 20 . 1 1 94 94 THR CA C 94 62.170 62.170 62.595 -0.425 18733 7376 1 20 . 1 1 94 94 THR CB C 94 70.164 70.164 69.119 1.045 18733 7377 1 20 . 1 1 95 95 GLN N N 95 122.873 122.873 122.430 0.443 18733 7378 1 20 . 1 1 95 95 GLN HA H 95 4.288 4.288 4.288 0.000 18733 7379 1 20 . 1 1 95 95 GLN CA C 95 56.073 56.073 56.857 -0.784 18733 7380 1 20 . 1 1 95 95 GLN CB C 95 28.903 28.903 29.421 -0.518 18733 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 92 2.426 -0.037 2.439 18733 2 1 1 "Average Difference" HA 93 0.481 0.266 0.403 18733 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18733 4 1 1 "Average Difference" CA 94 1.736 -0.747 1.576 18733 5 1 1 "Average Difference" CB 92 1.045 -0.064 1.049 18733 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 18733 7 1 2 "Average Difference" N 92 2.744 -0.051 2.759 18733 8 1 2 "Average Difference" HA 93 0.472 0.254 0.400 18733 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18733 10 1 2 "Average Difference" CA 94 1.906 -0.798 1.740 18733 11 1 2 "Average Difference" CB 92 1.053 -0.030 1.059 18733 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 18733 13 1 3 "Average Difference" N 92 2.640 0.042 2.654 18733 14 1 3 "Average Difference" HA 93 0.493 0.271 0.414 18733 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18733 16 1 3 "Average Difference" CA 94 1.861 -0.775 1.701 18733 17 1 3 "Average Difference" CB 92 1.015 -0.063 1.018 18733 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 18733 19 1 4 "Average Difference" N 92 2.397 0.038 2.410 18733 20 1 4 "Average Difference" HA 93 0.455 0.265 0.372 18733 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18733 22 1 4 "Average Difference" CA 94 1.696 -0.725 1.541 18733 23 1 4 "Average Difference" CB 92 1.046 0.014 1.052 18733 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 18733 25 1 5 "Average Difference" N 92 2.526 -0.069 2.539 18733 26 1 5 "Average Difference" HA 93 0.453 0.241 0.386 18733 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18733 28 1 5 "Average Difference" CA 94 1.786 -0.774 1.618 18733 29 1 5 "Average Difference" CB 92 0.992 -0.060 0.996 18733 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 18733 31 1 6 "Average Difference" N 92 2.439 0.043 2.452 18733 32 1 6 "Average Difference" HA 93 0.462 0.257 0.386 18733 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18733 34 1 6 "Average Difference" CA 94 1.628 -0.660 1.496 18733 35 1 6 "Average Difference" CB 92 1.013 -0.033 1.018 18733 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 18733 37 1 7 "Average Difference" N 92 2.654 -0.165 2.664 18733 38 1 7 "Average Difference" HA 93 0.476 0.268 0.395 18733 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18733 40 1 7 "Average Difference" CA 94 1.883 -0.874 1.677 18733 41 1 7 "Average Difference" CB 92 1.012 -0.031 1.017 18733 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 18733 43 1 8 "Average Difference" N 92 2.509 -0.114 2.520 18733 44 1 8 "Average Difference" HA 93 0.465 0.260 0.387 18733 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18733 46 1 8 "Average Difference" CA 94 1.751 -0.759 1.586 18733 47 1 8 "Average Difference" CB 92 0.989 0.004 0.994 18733 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 18733 49 1 9 "Average Difference" N 92 2.688 -0.034 2.702 18733 50 1 9 "Average Difference" HA 93 0.468 0.269 0.384 18733 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18733 52 1 9 "Average Difference" CA 94 1.779 -0.862 1.565 18733 53 1 9 "Average Difference" CB 92 0.998 -0.029 1.003 18733 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 18733 55 1 10 "Average Difference" N 92 2.542 -0.117 2.553 18733 56 1 10 "Average Difference" HA 93 0.461 0.270 0.375 18733 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18733 58 1 10 "Average Difference" CA 94 1.650 -0.742 1.482 18733 59 1 10 "Average Difference" CB 92 0.989 -0.018 0.994 18733 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 18733 61 1 11 "Average Difference" N 92 2.636 -0.109 2.649 18733 62 1 11 "Average Difference" HA 93 0.473 0.258 0.398 18733 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18733 64 1 11 "Average Difference" CA 94 1.808 -0.812 1.624 18733 65 1 11 "Average Difference" CB 92 1.031 -0.049 1.036 18733 66 1 11 "Average Difference" HN 0 0.000 0.000 0.000 18733 67 1 12 "Average Difference" N 92 2.677 -0.134 2.688 18733 68 1 12 "Average Difference" HA 93 0.468 0.270 0.385 18733 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18733 70 1 12 "Average Difference" CA 94 1.736 -0.797 1.551 18733 71 1 12 "Average Difference" CB 92 0.988 -0.007 0.994 18733 72 1 12 "Average Difference" HN 0 0.000 0.000 0.000 18733 73 1 13 "Average Difference" N 92 2.522 -0.168 2.530 18733 74 1 13 "Average Difference" HA 93 0.469 0.252 0.398 18733 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18733 76 1 13 "Average Difference" CA 94 1.840 -0.805 1.664 18733 77 1 13 "Average Difference" CB 92 1.007 -0.032 1.012 18733 78 1 13 "Average Difference" HN 0 0.000 0.000 0.000 18733 79 1 14 "Average Difference" N 92 2.676 0.126 2.688 18733 80 1 14 "Average Difference" HA 93 0.464 0.261 0.385 18733 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18733 82 1 14 "Average Difference" CA 94 1.727 -0.751 1.564 18733 83 1 14 "Average Difference" CB 92 1.016 -0.032 1.021 18733 84 1 14 "Average Difference" HN 0 0.000 0.000 0.000 18733 85 1 15 "Average Difference" N 92 2.687 -0.019 2.702 18733 86 1 15 "Average Difference" HA 93 0.467 0.249 0.397 18733 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18733 88 1 15 "Average Difference" CA 94 1.796 -0.713 1.657 18733 89 1 15 "Average Difference" CB 92 0.922 -0.050 0.926 18733 90 1 15 "Average Difference" HN 0 0.000 0.000 0.000 18733 91 1 16 "Average Difference" N 92 2.326 -0.001 2.338 18733 92 1 16 "Average Difference" HA 93 0.471 0.269 0.389 18733 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18733 94 1 16 "Average Difference" CA 94 1.814 -0.834 1.620 18733 95 1 16 "Average Difference" CB 92 1.067 -0.022 1.073 18733 96 1 16 "Average Difference" HN 0 0.000 0.000 0.000 18733 97 1 17 "Average Difference" N 92 2.617 -0.198 2.623 18733 98 1 17 "Average Difference" HA 93 0.474 0.266 0.395 18733 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18733 100 1 17 "Average Difference" CA 94 1.915 -0.840 1.730 18733 101 1 17 "Average Difference" CB 92 0.964 -0.035 0.968 18733 102 1 17 "Average Difference" HN 0 0.000 0.000 0.000 18733 103 1 18 "Average Difference" N 92 2.489 -0.069 2.502 18733 104 1 18 "Average Difference" HA 93 0.482 0.276 0.398 18733 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18733 106 1 18 "Average Difference" CA 94 1.795 -0.812 1.610 18733 107 1 18 "Average Difference" CB 92 1.045 -0.024 1.051 18733 108 1 18 "Average Difference" HN 0 0.000 0.000 0.000 18733 109 1 19 "Average Difference" N 92 2.589 -0.033 2.603 18733 110 1 19 "Average Difference" HA 93 0.480 0.268 0.401 18733 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18733 112 1 19 "Average Difference" CA 94 1.762 -0.751 1.602 18733 113 1 19 "Average Difference" CB 92 1.010 -0.040 1.015 18733 114 1 19 "Average Difference" HN 0 0.000 0.000 0.000 18733 115 1 20 "Average Difference" N 92 2.614 -0.000 2.628 18733 116 1 20 "Average Difference" HA 93 0.468 0.257 0.394 18733 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18733 118 1 20 "Average Difference" CA 94 1.713 -0.707 1.568 18733 119 1 20 "Average Difference" CB 92 1.017 -0.058 1.021 18733 120 1 20 "Average Difference" HN 0 0.000 0.000 0.000 18733 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 18733 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ASN HA H 2 4.590 4.590 4.778 -0.188 18733 2 1 . 1 1 2 2 ASN CA C 2 53.554 53.554 53.513 0.041 18733 3 1 . 1 1 2 2 ASN CB C 2 38.650 38.650 39.068 -0.418 18733 4 1 . 1 1 3 3 ASN HA H 3 4.526 4.526 4.997 -0.471 18733 5 1 . 1 1 3 3 ASN CA C 3 53.720 53.720 52.868 0.852 18733 6 1 . 1 1 3 3 ASN CB C 3 38.473 38.473 40.203 -1.730 18733 7 1 . 1 1 4 4 GLU N N 4 121.638 121.638 123.383 -1.745 18733 8 1 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.246 -0.160 18733 9 1 . 1 1 4 4 GLU CA C 4 57.656 57.656 58.391 -0.735 18733 10 1 . 1 1 4 4 GLU CB C 4 29.649 29.649 30.031 -0.382 18733 11 1 . 1 1 5 5 ASN N N 5 118.543 118.543 116.772 1.771 18733 12 1 . 1 1 5 5 ASN HA H 5 4.531 4.531 4.669 -0.138 18733 13 1 . 1 1 5 5 ASN CA C 5 55.114 55.114 53.358 1.756 18733 14 1 . 1 1 5 5 ASN CB C 5 38.417 38.417 39.249 -0.832 18733 15 1 . 1 1 6 6 ALA N N 6 123.531 123.531 122.352 1.179 18733 16 1 . 1 1 6 6 ALA HA H 6 4.057 4.057 4.036 0.021 18733 17 1 . 1 1 6 6 ALA CA C 6 55.266 55.266 50.812 4.454 18733 18 1 . 1 1 6 6 ALA CB C 6 18.099 18.099 19.189 -1.090 18733 19 1 . 1 1 7 7 PHE N N 7 119.588 119.588 118.038 1.550 18733 20 1 . 1 1 7 7 PHE HA H 7 3.777 3.777 4.667 -0.890 18733 21 1 . 1 1 7 7 PHE CA C 7 61.179 61.179 54.514 6.665 18733 22 1 . 1 1 7 7 PHE CB C 7 38.947 38.947 35.861 3.086 18733 23 1 . 1 1 8 8 TYR N N 8 116.300 116.300 123.211 -6.911 18733 24 1 . 1 1 8 8 TYR HA H 8 4.007 4.007 4.120 -0.113 18733 25 1 . 1 1 8 8 TYR CA C 8 61.117 61.117 62.708 -1.591 18733 26 1 . 1 1 8 8 TYR CB C 8 37.370 37.370 37.004 0.366 18733 27 1 . 1 1 9 9 ALA N N 9 124.516 124.516 118.330 6.186 18733 28 1 . 1 1 9 9 ALA HA H 9 4.074 4.074 4.183 -0.108 18733 29 1 . 1 1 9 9 ALA CA C 9 55.415 55.415 54.049 1.366 18733 30 1 . 1 1 9 9 ALA CB C 9 17.797 17.797 18.342 -0.545 18733 31 1 . 1 1 10 10 ARG N N 10 118.255 118.255 118.437 -0.182 18733 32 1 . 1 1 10 10 ARG HA H 10 3.857 3.857 4.333 -0.476 18733 33 1 . 1 1 10 10 ARG CA C 10 60.070 60.070 57.724 2.346 18733 34 1 . 1 1 10 10 ARG CB C 10 31.179 31.179 30.704 0.475 18733 35 1 . 1 1 11 11 ALA N N 11 119.258 119.258 122.386 -3.128 18733 36 1 . 1 1 11 11 ALA HA H 11 4.079 4.079 4.112 -0.033 18733 37 1 . 1 1 11 11 ALA CA C 11 55.152 55.152 54.964 0.188 18733 38 1 . 1 1 11 11 ALA CB C 11 19.072 19.072 17.953 1.119 18733 39 1 . 1 1 12 12 THR N N 12 114.669 114.669 113.343 1.326 18733 40 1 . 1 1 12 12 THR HA H 12 3.761 3.761 4.038 -0.277 18733 41 1 . 1 1 12 12 THR CA C 12 67.028 67.028 66.156 0.872 18733 42 1 . 1 1 12 12 THR CB C 12 68.661 68.661 68.704 -0.043 18733 43 1 . 1 1 13 13 GLU N N 13 120.838 120.838 120.743 0.095 18733 44 1 . 1 1 13 13 GLU HA H 13 3.782 3.782 4.218 -0.436 18733 45 1 . 1 1 13 13 GLU CA C 13 59.781 59.781 58.697 1.084 18733 46 1 . 1 1 13 13 GLU CB C 13 29.713 29.713 29.550 0.163 18733 47 1 . 1 1 14 14 LEU N N 14 119.831 119.831 120.731 -0.900 18733 48 1 . 1 1 14 14 LEU HA H 14 3.616 3.616 4.188 -0.572 18733 49 1 . 1 1 14 14 LEU CA C 14 58.363 58.363 57.872 0.491 18733 50 1 . 1 1 14 14 LEU CB C 14 42.109 42.109 41.421 0.688 18733 51 1 . 1 1 15 15 ILE N N 15 119.150 119.150 117.892 1.258 18733 52 1 . 1 1 15 15 ILE HA H 15 3.376 3.376 3.514 -0.138 18733 53 1 . 1 1 15 15 ILE CA C 15 66.274 66.274 64.962 1.312 18733 54 1 . 1 1 15 15 ILE CB C 15 38.343 38.343 37.378 0.965 18733 55 1 . 1 1 16 16 LYS N N 16 118.734 118.734 119.984 -1.250 18733 56 1 . 1 1 16 16 LYS HA H 16 3.808 3.808 4.036 -0.228 18733 57 1 . 1 1 16 16 LYS CA C 16 59.950 59.950 58.947 1.003 18733 58 1 . 1 1 16 16 LYS CB C 16 32.109 32.109 31.986 0.123 18733 59 1 . 1 1 17 17 LEU N N 17 121.376 121.376 119.881 1.495 18733 60 1 . 1 1 17 17 LEU HA H 17 4.017 4.017 4.180 -0.163 18733 61 1 . 1 1 17 17 LEU CA C 17 57.733 57.733 57.636 0.097 18733 62 1 . 1 1 17 17 LEU CB C 17 40.385 40.385 41.177 -0.792 18733 63 1 . 1 1 18 18 ALA N N 18 123.298 123.298 121.326 1.972 18733 64 1 . 1 1 18 18 ALA HA H 18 3.547 3.547 4.054 -0.507 18733 65 1 . 1 1 18 18 ALA CA C 18 55.031 55.031 54.912 0.119 18733 66 1 . 1 1 18 18 ALA CB C 18 17.716 17.716 18.451 -0.735 18733 67 1 . 1 1 19 19 ASN N N 19 114.581 114.581 116.118 -1.537 18733 68 1 . 1 1 19 19 ASN HA H 19 4.504 4.504 4.454 0.050 18733 69 1 . 1 1 19 19 ASN CA C 19 55.633 55.633 55.864 -0.231 18733 70 1 . 1 1 19 19 ASN CB C 19 37.683 37.683 38.337 -0.654 18733 71 1 . 1 1 20 20 GLN N N 20 122.054 122.054 118.051 4.003 18733 72 1 . 1 1 20 20 GLN HA H 20 3.959 3.959 4.321 -0.362 18733 73 1 . 1 1 20 20 GLN CA C 20 58.913 58.913 58.030 0.882 18733 74 1 . 1 1 20 20 GLN CB C 20 28.293 28.293 28.663 -0.370 18733 75 1 . 1 1 21 21 GLN N N 21 120.962 120.962 117.815 3.147 18733 76 1 . 1 1 21 21 GLN HA H 21 3.863 3.863 4.231 -0.368 18733 77 1 . 1 1 21 21 GLN CA C 21 58.371 58.371 57.968 0.403 18733 78 1 . 1 1 21 21 GLN CB C 21 27.603 27.603 28.827 -1.224 18733 79 1 . 1 1 22 22 ASN N N 22 114.486 114.486 117.576 -3.090 18733 80 1 . 1 1 22 22 ASN HA H 22 4.550 4.550 4.574 -0.024 18733 81 1 . 1 1 22 22 ASN CA C 22 53.545 53.545 53.994 -0.449 18733 82 1 . 1 1 22 22 ASN CB C 22 39.752 39.752 38.637 1.115 18733 83 1 . 1 1 23 23 GLN N N 23 117.002 117.002 116.704 0.298 18733 84 1 . 1 1 23 23 GLN HA H 23 4.121 4.121 4.261 -0.140 18733 85 1 . 1 1 23 23 GLN CA C 23 56.336 56.336 55.862 0.475 18733 86 1 . 1 1 23 23 GLN CB C 23 28.367 28.367 28.456 -0.089 18733 87 1 . 1 1 24 24 ASN N N 24 117.868 117.868 119.242 -1.374 18733 88 1 . 1 1 24 24 ASN HA H 24 4.554 4.554 4.715 -0.161 18733 89 1 . 1 1 24 24 ASN CA C 24 53.550 53.550 53.431 0.119 18733 90 1 . 1 1 24 24 ASN CB C 24 38.856 38.856 39.248 -0.393 18733 91 1 . 1 1 25 25 THR N N 25 115.612 115.612 119.192 -3.580 18733 92 1 . 1 1 25 25 THR HA H 25 4.193 4.193 4.164 0.029 18733 93 1 . 1 1 25 25 THR CA C 25 63.026 63.026 64.179 -1.153 18733 94 1 . 1 1 25 25 THR CB C 25 69.388 69.388 69.035 0.353 18733 95 1 . 1 1 26 26 GLU N N 26 119.600 119.600 119.073 0.527 18733 96 1 . 1 1 26 26 GLU HA H 26 4.213 4.213 4.300 -0.087 18733 97 1 . 1 1 26 26 GLU CA C 26 56.803 56.803 56.551 0.252 18733 98 1 . 1 1 26 26 GLU CB C 26 29.566 29.566 29.444 0.122 18733 99 1 . 1 1 27 27 ILE N N 27 118.383 118.383 121.064 -2.681 18733 100 1 . 1 1 27 27 ILE HA H 27 4.320 4.320 4.222 0.098 18733 101 1 . 1 1 27 27 ILE CA C 27 59.638 59.638 60.269 -0.631 18733 102 1 . 1 1 27 27 ILE CB C 27 39.531 39.531 39.310 0.221 18733 103 1 . 1 1 28 28 GLN N N 28 122.321 122.321 122.974 -0.653 18733 104 1 . 1 1 28 28 GLN HA H 28 4.593 4.593 4.474 0.119 18733 105 1 . 1 1 28 28 GLN CA C 28 54.684 54.684 55.437 -0.753 18733 106 1 . 1 1 28 28 GLN CB C 28 30.183 30.183 29.756 0.428 18733 107 1 . 1 1 29 29 THR N N 29 119.517 119.517 117.321 2.196 18733 108 1 . 1 1 29 29 THR HA H 29 3.916 3.916 4.031 -0.115 18733 109 1 . 1 1 29 29 THR CA C 29 65.895 65.895 66.126 -0.231 18733 110 1 . 1 1 29 29 THR CB C 29 68.708 68.708 68.554 0.154 18733 111 1 . 1 1 30 30 GLY N N 30 109.285 109.285 108.653 0.632 18733 112 1 . 1 1 30 30 GLY CA C 30 47.126 47.126 46.346 0.780 18733 113 1 . 1 1 31 31 GLU N N 31 120.940 120.940 121.410 -0.470 18733 114 1 . 1 1 31 31 GLU HA H 31 4.259 4.259 4.211 0.048 18733 115 1 . 1 1 31 31 GLU CA C 31 59.424 59.424 58.520 0.904 18733 116 1 . 1 1 31 31 GLU CB C 31 29.410 29.410 29.441 -0.031 18733 117 1 . 1 1 32 32 VAL N N 32 122.718 122.718 119.480 3.238 18733 118 1 . 1 1 32 32 VAL HA H 32 3.568 3.568 3.892 -0.324 18733 119 1 . 1 1 32 32 VAL CA C 32 66.122 66.122 65.459 0.663 18733 120 1 . 1 1 32 32 VAL CB C 32 31.157 31.157 31.771 -0.614 18733 121 1 . 1 1 33 33 SER N N 33 114.886 114.886 116.493 -1.607 18733 122 1 . 1 1 33 33 SER HA H 33 4.112 4.112 4.180 -0.068 18733 123 1 . 1 1 33 33 SER CA C 33 62.119 62.119 61.828 0.290 18733 124 1 . 1 1 33 33 SER CB C 33 63.293 63.293 62.850 0.443 18733 125 1 . 1 1 34 34 ALA N N 34 121.240 121.240 123.524 -2.284 18733 126 1 . 1 1 34 34 ALA HA H 34 4.505 4.505 4.269 0.236 18733 127 1 . 1 1 34 34 ALA CA C 34 55.790 55.790 54.876 0.914 18733 128 1 . 1 1 34 34 ALA CB C 34 18.845 18.845 18.337 0.508 18733 129 1 . 1 1 35 35 SER N N 35 111.131 111.131 115.917 -4.786 18733 130 1 . 1 1 35 35 SER HA H 35 3.420 3.420 4.322 -0.902 18733 131 1 . 1 1 35 35 SER CA C 35 61.316 61.316 62.038 -0.722 18733 132 1 . 1 1 35 35 SER CB C 35 62.547 62.547 63.110 -0.563 18733 133 1 . 1 1 36 36 PHE N N 36 127.676 127.676 123.184 4.492 18733 134 1 . 1 1 36 36 PHE HA H 36 4.490 4.490 4.257 0.233 18733 135 1 . 1 1 36 36 PHE CA C 36 57.592 57.592 61.489 -3.897 18733 136 1 . 1 1 36 36 PHE CB C 36 38.111 38.111 39.388 -1.277 18733 137 1 . 1 1 37 37 MET N N 37 119.851 119.851 120.057 -0.206 18733 138 1 . 1 1 37 37 MET HA H 37 3.859 3.859 4.143 -0.284 18733 139 1 . 1 1 37 37 MET CA C 37 59.444 59.444 59.244 0.200 18733 140 1 . 1 1 37 37 MET CB C 37 33.517 33.517 32.659 0.858 18733 141 1 . 1 1 38 38 TRP N N 38 121.153 121.153 120.953 0.200 18733 142 1 . 1 1 38 38 TRP HA H 38 3.981 3.981 4.225 -0.244 18733 143 1 . 1 1 38 38 TRP CA C 38 62.129 62.129 60.436 1.693 18733 144 1 . 1 1 38 38 TRP CB C 38 29.930 29.930 29.743 0.187 18733 145 1 . 1 1 39 39 ALA N N 39 119.518 119.518 122.089 -2.571 18733 146 1 . 1 1 39 39 ALA HA H 39 3.880 3.880 3.847 0.033 18733 147 1 . 1 1 39 39 ALA CA C 39 55.231 55.231 54.805 0.426 18733 148 1 . 1 1 39 39 ALA CB C 39 20.477 20.477 17.840 2.637 18733 149 1 . 1 1 40 40 LEU N N 40 116.794 116.794 119.763 -2.969 18733 150 1 . 1 1 40 40 LEU HA H 40 2.741 2.741 3.900 -1.159 18733 151 1 . 1 1 40 40 LEU CA C 40 56.979 56.979 56.998 -0.019 18733 152 1 . 1 1 40 40 LEU CB C 40 40.563 40.563 41.310 -0.747 18733 153 1 . 1 1 41 41 ALA N N 41 120.249 120.249 121.801 -1.552 18733 154 1 . 1 1 41 41 ALA HA H 41 3.663 3.663 3.864 -0.201 18733 155 1 . 1 1 41 41 ALA CA C 41 54.943 54.943 55.075 -0.132 18733 156 1 . 1 1 41 41 ALA CB C 41 17.512 17.512 18.033 -0.521 18733 157 1 . 1 1 42 42 ARG N N 42 118.787 118.787 117.323 1.464 18733 158 1 . 1 1 42 42 ARG HA H 42 3.315 3.315 3.890 -0.575 18733 159 1 . 1 1 42 42 ARG CA C 42 60.027 60.027 58.564 1.463 18733 160 1 . 1 1 42 42 ARG CB C 42 29.084 29.084 30.086 -1.002 18733 161 1 . 1 1 43 43 TYR N N 43 122.429 122.429 119.668 2.761 18733 162 1 . 1 1 43 43 TYR HA H 43 3.956 3.956 4.262 -0.306 18733 163 1 . 1 1 43 43 TYR CA C 43 63.225 63.225 61.035 2.190 18733 164 1 . 1 1 43 43 TYR CB C 43 39.819 39.819 38.857 0.962 18733 165 1 . 1 1 44 44 ASN N N 44 116.736 116.736 117.519 -0.783 18733 166 1 . 1 1 44 44 ASN HA H 44 4.170 4.170 4.574 -0.404 18733 167 1 . 1 1 44 44 ASN CA C 44 56.267 56.267 55.221 1.046 18733 168 1 . 1 1 44 44 ASN CB C 44 37.894 37.894 38.262 -0.368 18733 169 1 . 1 1 45 45 ALA N N 45 124.950 124.950 122.079 2.871 18733 170 1 . 1 1 45 45 ALA HA H 45 3.862 3.862 4.285 -0.423 18733 171 1 . 1 1 45 45 ALA CA C 45 55.465 55.465 54.132 1.333 18733 172 1 . 1 1 45 45 ALA CB C 45 18.587 18.587 18.096 0.491 18733 173 1 . 1 1 46 46 TRP N N 46 119.686 119.686 121.158 -1.472 18733 174 1 . 1 1 46 46 TRP HA H 46 2.849 2.849 4.217 -1.368 18733 175 1 . 1 1 46 46 TRP CA C 46 60.783 60.783 59.782 1.001 18733 176 1 . 1 1 46 46 TRP CB C 46 26.470 26.470 28.796 -2.326 18733 177 1 . 1 1 47 47 PHE N N 47 121.090 121.090 116.567 4.523 18733 178 1 . 1 1 47 47 PHE HA H 47 2.939 2.939 4.311 -1.372 18733 179 1 . 1 1 47 47 PHE CA C 47 59.116 59.116 59.512 -0.396 18733 180 1 . 1 1 47 47 PHE CB C 47 38.212 38.212 38.741 -0.529 18733 181 1 . 1 1 48 48 GLY N N 48 109.386 109.386 107.946 1.440 18733 182 1 . 1 1 48 48 GLY CA C 48 47.209 47.209 47.014 0.195 18733 183 1 . 1 1 49 49 SER N N 49 118.098 118.098 114.632 3.466 18733 184 1 . 1 1 49 49 SER CA C 49 62.016 62.016 60.044 1.972 18733 185 1 . 1 1 49 49 SER CB C 49 63.411 63.411 63.182 0.229 18733 186 1 . 1 1 50 50 THR N N 50 110.801 110.801 113.054 -2.253 18733 187 1 . 1 1 50 50 THR HA H 50 3.851 3.851 4.440 -0.589 18733 188 1 . 1 1 50 50 THR CA C 50 63.914 63.914 61.832 2.082 18733 189 1 . 1 1 50 50 THR CB C 50 69.676 69.676 69.111 0.565 18733 190 1 . 1 1 51 51 SER N N 51 115.249 115.249 117.307 -2.058 18733 191 1 . 1 1 51 51 SER HA H 51 3.990 3.990 4.366 -0.376 18733 192 1 . 1 1 51 51 SER CA C 51 59.360 59.360 60.593 -1.233 18733 193 1 . 1 1 51 51 SER CB C 51 63.142 63.142 64.029 -0.887 18733 194 1 . 1 1 52 52 PHE N N 52 118.004 118.004 117.131 0.873 18733 195 1 . 1 1 52 52 PHE HA H 52 4.861 4.861 4.693 0.168 18733 196 1 . 1 1 52 52 PHE CA C 52 57.045 57.045 57.053 -0.008 18733 197 1 . 1 1 52 52 PHE CB C 52 42.165 42.165 42.021 0.144 18733 198 1 . 1 1 53 53 GLU N N 53 119.224 119.224 118.619 0.605 18733 199 1 . 1 1 53 53 GLU HA H 53 4.415 4.415 4.376 0.039 18733 200 1 . 1 1 53 53 GLU CA C 53 57.653 57.653 56.981 0.672 18733 201 1 . 1 1 53 53 GLU CB C 53 31.679 31.679 30.332 1.347 18733 202 1 . 1 1 54 54 THR N N 54 105.230 105.230 111.279 -6.049 18733 203 1 . 1 1 54 54 THR HA H 54 4.529 4.529 4.601 -0.072 18733 204 1 . 1 1 54 54 THR CA C 54 58.360 58.360 59.924 -1.564 18733 205 1 . 1 1 54 54 THR CB C 54 73.366 73.366 71.992 1.374 18733 206 1 . 1 1 55 55 LYS N N 55 122.509 122.509 122.679 -0.170 18733 207 1 . 1 1 55 55 LYS HA H 55 2.752 2.752 4.032 -1.280 18733 208 1 . 1 1 55 55 LYS CA C 55 58.567 58.567 59.094 -0.527 18733 209 1 . 1 1 55 55 LYS CB C 55 32.829 32.829 31.769 1.060 18733 210 1 . 1 1 56 56 GLU N N 56 117.867 117.867 118.982 -1.115 18733 211 1 . 1 1 56 56 GLU HA H 56 3.785 3.785 4.031 -0.246 18733 212 1 . 1 1 56 56 GLU CA C 56 60.334 60.334 59.551 0.783 18733 213 1 . 1 1 56 56 GLU CB C 56 28.185 28.185 29.040 -0.855 18733 214 1 . 1 1 57 57 GLN N N 57 119.487 119.487 117.416 2.071 18733 215 1 . 1 1 57 57 GLN HA H 57 3.788 3.788 3.908 -0.120 18733 216 1 . 1 1 57 57 GLN CA C 57 58.056 58.056 57.331 0.725 18733 217 1 . 1 1 57 57 GLN CB C 57 28.577 28.577 28.604 -0.027 18733 218 1 . 1 1 58 58 MET N N 58 118.284 118.284 120.101 -1.817 18733 219 1 . 1 1 58 58 MET HA H 58 2.029 2.029 4.194 -2.165 18733 220 1 . 1 1 58 58 MET CA C 58 58.862 58.862 58.959 -0.097 18733 221 1 . 1 1 58 58 MET CB C 58 30.814 30.814 32.866 -2.052 18733 222 1 . 1 1 59 59 GLN N N 59 116.663 116.663 119.392 -2.729 18733 223 1 . 1 1 59 59 GLN HA H 59 3.578 3.578 4.062 -0.484 18733 224 1 . 1 1 59 59 GLN CA C 59 59.361 59.361 58.832 0.530 18733 225 1 . 1 1 59 59 GLN CB C 59 28.975 28.975 28.691 0.284 18733 226 1 . 1 1 60 60 ALA N N 60 119.084 119.084 120.304 -1.220 18733 227 1 . 1 1 60 60 ALA HA H 60 4.028 4.028 4.220 -0.192 18733 228 1 . 1 1 60 60 ALA CA C 60 54.245 54.245 53.964 0.281 18733 229 1 . 1 1 60 60 ALA CB C 60 18.161 18.161 18.320 -0.159 18733 230 1 . 1 1 61 61 LYS N N 61 115.215 115.215 116.610 -1.395 18733 231 1 . 1 1 61 61 LYS HA H 61 4.517 4.517 4.656 -0.139 18733 232 1 . 1 1 61 61 LYS CA C 61 54.188 54.188 55.334 -1.146 18733 233 1 . 1 1 61 61 LYS CB C 61 33.239 33.239 32.530 0.709 18733 234 1 . 1 1 62 62 LYS N N 62 122.199 122.199 120.517 1.682 18733 235 1 . 1 1 62 62 LYS HA H 62 3.582 3.582 3.960 -0.378 18733 236 1 . 1 1 62 62 LYS CA C 62 61.271 61.271 60.034 1.237 18733 237 1 . 1 1 62 62 LYS CB C 62 33.052 33.052 31.693 1.359 18733 238 1 . 1 1 63 63 GLN N N 63 117.101 117.101 117.590 -0.489 18733 239 1 . 1 1 63 63 GLN HA H 63 3.767 3.767 4.155 -0.388 18733 240 1 . 1 1 63 63 GLN CA C 63 58.948 58.948 57.907 1.041 18733 241 1 . 1 1 63 63 GLN CB C 63 27.823 27.823 28.026 -0.203 18733 242 1 . 1 1 64 64 GLU N N 64 119.459 119.459 118.523 0.936 18733 243 1 . 1 1 64 64 GLU HA H 64 4.035 4.035 4.170 -0.135 18733 244 1 . 1 1 64 64 GLU CA C 64 59.672 59.672 58.606 1.066 18733 245 1 . 1 1 64 64 GLU CB C 64 29.755 29.755 29.633 0.122 18733 246 1 . 1 1 65 65 MET N N 65 118.493 118.493 115.575 2.918 18733 247 1 . 1 1 65 65 MET HA H 65 4.077 4.077 4.381 -0.304 18733 248 1 . 1 1 65 65 MET CA C 65 59.488 59.488 57.990 1.498 18733 249 1 . 1 1 65 65 MET CB C 65 34.335 34.335 33.147 1.188 18733 250 1 . 1 1 66 66 MET N N 66 117.848 117.848 117.840 0.008 18733 251 1 . 1 1 66 66 MET HA H 66 4.127 4.127 4.161 -0.034 18733 252 1 . 1 1 66 66 MET CA C 66 59.790 59.790 57.609 2.181 18733 253 1 . 1 1 66 66 MET CB C 66 31.196 31.196 32.282 -1.086 18733 254 1 . 1 1 67 67 ASP N N 67 118.987 118.987 120.220 -1.233 18733 255 1 . 1 1 67 67 ASP HA H 67 4.283 4.283 4.416 -0.133 18733 256 1 . 1 1 67 67 ASP CA C 67 57.892 57.892 57.011 0.881 18733 257 1 . 1 1 67 67 ASP CB C 67 39.885 39.885 41.143 -1.258 18733 258 1 . 1 1 68 68 TYR N N 68 119.790 119.790 115.208 4.583 18733 259 1 . 1 1 68 68 TYR HA H 68 4.118 4.118 4.680 -0.562 18733 260 1 . 1 1 68 68 TYR CA C 68 61.588 61.588 57.822 3.766 18733 261 1 . 1 1 68 68 TYR CB C 68 37.806 37.806 38.512 -0.706 18733 262 1 . 1 1 69 69 TYR N N 69 118.552 118.552 118.782 -0.230 18733 263 1 . 1 1 69 69 TYR HA H 69 4.057 4.057 3.998 0.059 18733 264 1 . 1 1 69 69 TYR CA C 69 62.536 62.536 59.426 3.110 18733 265 1 . 1 1 69 69 TYR CB C 69 37.582 37.582 37.953 -0.371 18733 266 1 . 1 1 70 70 MET N N 70 117.939 117.939 117.261 0.678 18733 267 1 . 1 1 70 70 MET HA H 70 4.489 4.489 4.183 0.306 18733 268 1 . 1 1 70 70 MET CA C 70 58.947 58.947 58.469 0.478 18733 269 1 . 1 1 70 70 MET CB C 70 31.380 31.380 32.544 -1.164 18733 270 1 . 1 1 71 71 ASP N N 71 120.118 120.118 116.926 3.192 18733 271 1 . 1 1 71 71 ASP HA H 71 4.390 4.390 4.768 -0.378 18733 272 1 . 1 1 71 71 ASP CA C 71 57.730 57.730 54.427 3.303 18733 273 1 . 1 1 71 71 ASP CB C 71 40.050 40.050 40.520 -0.470 18733 274 1 . 1 1 72 72 ARG N N 72 118.091 118.091 119.459 -1.368 18733 275 1 . 1 1 72 72 ARG HA H 72 4.107 4.107 4.514 -0.407 18733 276 1 . 1 1 72 72 ARG CA C 72 58.260 58.260 57.061 1.199 18733 277 1 . 1 1 72 72 ARG CB C 72 31.091 31.091 31.770 -0.680 18733 278 1 . 1 1 73 73 TYR N N 73 121.878 121.878 117.549 4.329 18733 279 1 . 1 1 73 73 TYR HA H 73 4.178 4.178 4.779 -0.601 18733 280 1 . 1 1 73 73 TYR CA C 73 61.440 61.440 55.106 6.334 18733 281 1 . 1 1 73 73 TYR CB C 73 38.677 38.677 37.508 1.169 18733 282 1 . 1 1 74 74 LYS N N 74 119.791 119.791 122.360 -2.569 18733 283 1 . 1 1 74 74 LYS HA H 74 3.564 3.564 3.690 -0.126 18733 284 1 . 1 1 74 74 LYS CA C 74 60.621 60.621 60.174 0.447 18733 285 1 . 1 1 74 74 LYS CB C 74 32.225 32.225 32.052 0.173 18733 286 1 . 1 1 75 75 GLU N N 75 116.140 116.140 117.782 -1.642 18733 287 1 . 1 1 75 75 GLU HA H 75 4.004 4.004 4.087 -0.083 18733 288 1 . 1 1 75 75 GLU CA C 75 59.293 59.293 58.822 0.471 18733 289 1 . 1 1 75 75 GLU CB C 75 29.627 29.627 28.683 0.944 18733 290 1 . 1 1 76 76 MET N N 76 119.200 119.200 118.400 0.800 18733 291 1 . 1 1 76 76 MET HA H 76 4.250 4.250 4.252 -0.002 18733 292 1 . 1 1 76 76 MET CA C 76 60.058 60.058 58.228 1.830 18733 293 1 . 1 1 76 76 MET CB C 76 32.751 32.751 32.614 0.137 18733 294 1 . 1 1 77 77 LEU N N 77 125.191 125.191 120.365 4.826 18733 295 1 . 1 1 77 77 LEU HA H 77 3.703 3.703 3.995 -0.292 18733 296 1 . 1 1 77 77 LEU CA C 77 58.589 58.589 57.391 1.198 18733 297 1 . 1 1 77 77 LEU CB C 77 41.650 41.650 41.894 -0.244 18733 298 1 . 1 1 78 78 ASP N N 78 119.843 119.843 119.919 -0.076 18733 299 1 . 1 1 78 78 ASP HA H 78 4.177 4.177 4.286 -0.109 18733 300 1 . 1 1 78 78 ASP CA C 78 58.584 58.584 57.424 1.160 18733 301 1 . 1 1 78 78 ASP CB C 78 42.352 42.352 40.905 1.447 18733 302 1 . 1 1 79 79 ALA N N 79 117.168 117.168 119.847 -2.679 18733 303 1 . 1 1 79 79 ALA HA H 79 4.077 4.077 4.183 -0.106 18733 304 1 . 1 1 79 79 ALA CA C 79 55.317 55.317 54.121 1.196 18733 305 1 . 1 1 79 79 ALA CB C 79 18.335 18.335 18.726 -0.392 18733 306 1 . 1 1 80 80 ASN N N 80 115.882 115.882 114.998 0.884 18733 307 1 . 1 1 80 80 ASN HA H 80 4.416 4.416 4.830 -0.414 18733 308 1 . 1 1 80 80 ASN CA C 80 57.791 57.791 54.006 3.785 18733 309 1 . 1 1 80 80 ASN CB C 80 40.251 40.251 39.492 0.759 18733 310 1 . 1 1 81 81 MET N N 81 120.945 120.945 119.635 1.310 18733 311 1 . 1 1 81 81 MET HA H 81 4.129 4.129 4.411 -0.282 18733 312 1 . 1 1 81 81 MET CA C 81 58.954 58.954 56.948 2.006 18733 313 1 . 1 1 81 81 MET CB C 81 31.937 31.937 32.667 -0.730 18733 314 1 . 1 1 82 82 GLU N N 82 116.578 116.578 116.141 0.437 18733 315 1 . 1 1 82 82 GLU HA H 82 3.979 3.979 4.024 -0.045 18733 316 1 . 1 1 82 82 GLU CA C 82 59.214 59.214 58.633 0.582 18733 317 1 . 1 1 82 82 GLU CB C 82 29.207 29.207 28.588 0.619 18733 318 1 . 1 1 83 83 ASP N N 83 119.199 119.199 119.938 -0.739 18733 319 1 . 1 1 83 83 ASP HA H 83 4.399 4.399 4.383 0.016 18733 320 1 . 1 1 83 83 ASP CA C 83 57.554 57.554 56.954 0.600 18733 321 1 . 1 1 83 83 ASP CB C 83 42.088 42.088 40.761 1.327 18733 322 1 . 1 1 84 84 TYR N N 84 117.904 117.904 117.276 0.628 18733 323 1 . 1 1 84 84 TYR HA H 84 3.931 3.931 4.568 -0.637 18733 324 1 . 1 1 84 84 TYR CA C 84 63.663 63.663 60.025 3.638 18733 325 1 . 1 1 84 84 TYR CB C 84 39.134 39.134 38.297 0.837 18733 326 1 . 1 1 85 85 ILE N N 85 116.362 116.362 118.873 -2.511 18733 327 1 . 1 1 85 85 ILE HA H 85 3.752 3.752 3.784 -0.032 18733 328 1 . 1 1 85 85 ILE CA C 85 66.287 66.287 64.247 2.040 18733 329 1 . 1 1 85 85 ILE CB C 85 38.815 38.815 38.129 0.686 18733 330 1 . 1 1 86 86 GLU N N 86 117.696 117.696 118.931 -1.235 18733 331 1 . 1 1 86 86 GLU HA H 86 3.896 3.896 4.142 -0.246 18733 332 1 . 1 1 86 86 GLU CA C 86 59.290 59.290 59.042 0.248 18733 333 1 . 1 1 86 86 GLU CB C 86 29.660 29.660 29.217 0.443 18733 334 1 . 1 1 87 87 ASN N N 87 113.943 113.943 116.700 -2.757 18733 335 1 . 1 1 87 87 ASN HA H 87 4.933 4.933 4.856 0.077 18733 336 1 . 1 1 87 87 ASN CA C 87 52.462 52.462 53.587 -1.125 18733 337 1 . 1 1 87 87 ASN CB C 87 38.847 38.847 39.279 -0.432 18733 338 1 . 1 1 88 88 PHE N N 88 123.733 123.733 122.745 0.988 18733 339 1 . 1 1 88 88 PHE HA H 88 4.141 4.141 4.350 -0.209 18733 340 1 . 1 1 88 88 PHE CA C 88 63.888 63.888 62.518 1.370 18733 341 1 . 1 1 88 88 PHE CB C 88 41.768 41.768 39.221 2.547 18733 342 1 . 1 1 89 89 ASP N N 89 117.257 117.257 117.924 -0.667 18733 343 1 . 1 1 89 89 ASP HA H 89 4.386 4.386 4.067 0.319 18733 344 1 . 1 1 89 89 ASP CA C 89 57.468 57.468 57.568 -0.100 18733 345 1 . 1 1 89 89 ASP CB C 89 39.886 39.886 40.306 -0.420 18733 346 1 . 1 1 90 90 HIS N N 90 121.385 121.385 119.088 2.297 18733 347 1 . 1 1 90 90 HIS HA H 90 4.294 4.294 4.200 0.094 18733 348 1 . 1 1 90 90 HIS CA C 90 59.081 59.081 59.325 -0.244 18733 349 1 . 1 1 90 90 HIS CB C 90 29.949 29.949 30.119 -0.170 18733 350 1 . 1 1 91 91 TYR N N 91 118.440 118.440 119.042 -0.602 18733 351 1 . 1 1 91 91 TYR HA H 91 4.192 4.192 4.515 -0.323 18733 352 1 . 1 1 91 91 TYR CA C 91 59.618 59.618 61.085 -1.467 18733 353 1 . 1 1 91 91 TYR CB C 91 36.860 36.860 38.206 -1.346 18733 354 1 . 1 1 92 92 ARG N N 92 119.028 119.028 118.643 0.385 18733 355 1 . 1 1 92 92 ARG HA H 92 4.023 4.023 4.054 -0.031 18733 356 1 . 1 1 92 92 ARG CA C 92 57.308 57.308 57.310 -0.002 18733 357 1 . 1 1 92 92 ARG CB C 92 29.129 29.129 29.434 -0.305 18733 358 1 . 1 1 93 93 ALA N N 93 120.513 120.513 118.909 1.604 18733 359 1 . 1 1 93 93 ALA HA H 93 4.211 4.211 4.275 -0.064 18733 360 1 . 1 1 93 93 ALA CA C 93 53.603 53.603 53.639 -0.036 18733 361 1 . 1 1 93 93 ALA CB C 93 18.864 18.864 19.405 -0.541 18733 362 1 . 1 1 94 94 THR N N 94 108.668 108.668 110.467 -1.799 18733 363 1 . 1 1 94 94 THR HA H 94 4.249 4.249 4.189 0.060 18733 364 1 . 1 1 94 94 THR CA C 94 62.170 62.170 62.829 -0.659 18733 365 1 . 1 1 94 94 THR CB C 94 70.164 70.164 69.197 0.967 18733 366 1 . 1 1 95 95 GLN N N 95 122.873 122.873 120.951 1.922 18733 367 1 . 1 1 95 95 GLN HA H 95 4.288 4.288 4.454 -0.166 18733 368 1 . 1 1 95 95 GLN CA C 95 56.073 56.073 55.480 0.593 18733 369 1 . 1 1 95 95 GLN CB C 95 28.903 28.903 30.002 -1.099 18733 stop_ save_