data_25600 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25600 _Entry.PDB_ID 2N2I 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 25600 _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 PRO HA H 2 4.277 4.277 4.657 -0.380 25600 2 1 1 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.575 -1.354 25600 3 1 1 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.727 -1.311 25600 4 1 1 . 1 1 3 3 ALA N N 3 123.804 123.804 124.335 -0.531 25600 5 1 1 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.705 -0.499 25600 6 1 1 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.292 0.103 25600 7 1 1 . 1 1 3 3 ALA CB C 3 18.840 18.840 19.442 -0.602 25600 8 1 1 . 1 1 3 3 ALA H H 3 8.647 8.647 8.374 0.273 25600 9 1 1 . 1 1 4 4 ALA N N 4 124.059 124.059 126.917 -2.858 25600 10 1 1 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.771 -0.062 25600 11 1 1 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.135 -0.113 25600 12 1 1 . 1 1 4 4 ALA CB C 4 19.897 19.897 21.065 -1.168 25600 13 1 1 . 1 1 4 4 ALA H H 4 8.239 8.239 8.385 -0.146 25600 14 1 1 . 1 1 5 5 LEU N N 5 124.019 124.019 120.577 3.442 25600 15 1 1 . 1 1 5 5 LEU HA H 5 3.372 3.372 3.777 -0.405 25600 16 1 1 . 1 1 5 5 LEU CA C 5 55.008 55.008 55.489 -0.481 25600 17 1 1 . 1 1 5 5 LEU CB C 5 41.242 41.242 41.975 -0.733 25600 18 1 1 . 1 1 5 5 LEU H H 5 8.560 8.560 8.427 0.133 25600 19 1 1 . 1 1 6 6 VAL N N 6 123.356 123.356 120.714 2.642 25600 20 1 1 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.284 -0.187 25600 21 1 1 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.496 -0.156 25600 22 1 1 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.720 -0.772 25600 23 1 1 . 1 1 6 6 VAL H H 6 9.119 9.119 7.793 1.326 25600 24 1 1 . 1 1 7 7 SER N N 7 112.134 112.134 112.773 -0.639 25600 25 1 1 . 1 1 7 7 SER HA H 7 4.445 4.445 4.781 -0.336 25600 26 1 1 . 1 1 7 7 SER CA C 7 56.349 56.349 57.606 -1.257 25600 27 1 1 . 1 1 7 7 SER CB C 7 64.361 64.361 66.387 -2.026 25600 28 1 1 . 1 1 7 7 SER H H 7 7.680 7.680 7.658 0.022 25600 29 1 1 . 1 1 8 8 ILE N N 8 118.674 118.674 116.435 2.239 25600 30 1 1 . 1 1 8 8 ILE HA H 8 4.673 4.673 4.865 -0.192 25600 31 1 1 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.846 -0.700 25600 32 1 1 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.542 -0.868 25600 33 1 1 . 1 1 8 8 ILE H H 8 8.354 8.354 8.265 0.089 25600 34 1 1 . 1 1 9 9 SER N N 9 121.318 121.318 120.685 0.633 25600 35 1 1 . 1 1 9 9 SER HA H 9 4.863 4.863 4.963 -0.100 25600 36 1 1 . 1 1 9 9 SER CA C 9 55.381 55.381 57.115 -1.734 25600 37 1 1 . 1 1 9 9 SER CB C 9 64.243 64.243 63.965 0.278 25600 38 1 1 . 1 1 9 9 SER H H 9 9.028 9.028 9.008 0.020 25600 39 1 1 . 1 1 10 10 VAL N N 10 127.509 127.509 120.891 6.618 25600 40 1 1 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.796 0.254 25600 41 1 1 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.399 0.513 25600 42 1 1 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.554 -0.167 25600 43 1 1 . 1 1 10 10 VAL H H 10 8.911 8.911 8.418 0.493 25600 44 1 1 . 1 1 11 11 SER N N 11 121.861 121.861 122.897 -1.036 25600 45 1 1 . 1 1 11 11 SER CB C 11 64.373 64.373 63.614 0.759 25600 46 1 1 . 1 1 11 11 SER H H 11 9.205 9.205 8.442 0.763 25600 47 1 1 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.449 0.255 25600 48 1 1 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.518 -1.619 25600 49 1 1 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.145 1.944 25600 50 1 1 . 1 1 13 13 THR N N 13 116.138 116.138 116.596 -0.458 25600 51 1 1 . 1 1 13 13 THR HA H 13 4.770 4.770 4.513 0.257 25600 52 1 1 . 1 1 13 13 THR CA C 13 60.153 60.153 61.688 -1.535 25600 53 1 1 . 1 1 13 13 THR CB C 13 69.426 69.426 70.640 -1.214 25600 54 1 1 . 1 1 13 13 THR H H 13 8.679 8.679 8.495 0.184 25600 55 1 1 . 1 1 14 14 ASN N N 14 124.457 124.457 124.735 -0.278 25600 56 1 1 . 1 1 14 14 ASN HA H 14 4.695 4.695 4.760 -0.065 25600 57 1 1 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.264 0.864 25600 58 1 1 . 1 1 14 14 ASN CB C 14 36.593 36.593 39.797 -3.204 25600 59 1 1 . 1 1 14 14 ASN H H 14 8.710 8.710 8.572 0.138 25600 60 1 1 . 1 1 15 15 SER N N 15 113.673 113.673 116.734 -3.061 25600 61 1 1 . 1 1 15 15 SER HA H 15 4.648 4.648 4.534 0.114 25600 62 1 1 . 1 1 15 15 SER CA C 15 55.644 55.644 57.332 -1.688 25600 63 1 1 . 1 1 15 15 SER CB C 15 63.953 63.953 65.128 -1.175 25600 64 1 1 . 1 1 15 15 SER H H 15 9.127 9.127 7.610 1.517 25600 65 1 1 . 1 1 16 16 THR N N 16 113.579 113.579 113.118 0.461 25600 66 1 1 . 1 1 16 16 THR HA H 16 4.976 4.976 5.028 -0.052 25600 67 1 1 . 1 1 16 16 THR CA C 16 58.445 58.445 60.623 -2.178 25600 68 1 1 . 1 1 16 16 THR CB C 16 70.534 70.534 70.560 -0.026 25600 69 1 1 . 1 1 16 16 THR H H 16 7.962 7.962 8.278 -0.317 25600 70 1 1 . 1 1 17 17 VAL N N 17 121.479 121.479 119.857 1.622 25600 71 1 1 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.685 -0.365 25600 72 1 1 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.250 0.687 25600 73 1 1 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.441 -0.037 25600 74 1 1 . 1 1 17 17 VAL H H 17 7.969 7.969 7.941 0.028 25600 75 1 1 . 1 1 18 18 ALA N N 18 126.014 126.014 125.770 0.244 25600 76 1 1 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.262 -0.087 25600 77 1 1 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.670 -0.707 25600 78 1 1 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.508 -0.586 25600 79 1 1 . 1 1 18 18 ALA H H 18 7.756 7.756 8.257 -0.501 25600 80 1 1 . 1 1 19 19 LYS N N 19 119.741 119.741 121.341 -1.600 25600 81 1 1 . 1 1 19 19 LYS HA H 19 3.487 3.487 4.059 -0.572 25600 82 1 1 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.541 0.231 25600 83 1 1 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.227 -0.625 25600 84 1 1 . 1 1 19 19 LYS H H 19 7.893 7.893 8.643 -0.750 25600 85 1 1 . 1 1 20 20 GLY N N 20 116.709 116.709 113.651 3.058 25600 86 1 1 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.076 -1.313 25600 87 1 1 . 1 1 20 20 GLY H H 20 8.615 8.615 8.581 0.034 25600 88 1 1 . 1 1 21 21 LEU N N 21 123.004 123.004 123.744 -0.740 25600 89 1 1 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.631 -0.043 25600 90 1 1 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.674 -1.309 25600 91 1 1 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.407 -5.445 25600 92 1 1 . 1 1 21 21 LEU H H 21 8.013 8.013 7.957 0.056 25600 93 1 1 . 1 1 22 22 GLN N N 22 117.504 117.504 117.806 -0.302 25600 94 1 1 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.120 0.008 25600 95 1 1 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.538 -0.869 25600 96 1 1 . 1 1 22 22 GLN CB C 22 30.914 30.914 32.238 -1.324 25600 97 1 1 . 1 1 22 22 GLN H H 22 8.223 8.223 8.241 -0.018 25600 98 1 1 . 1 1 23 23 GLU N N 23 118.125 118.125 122.340 -4.215 25600 99 1 1 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.620 -0.057 25600 100 1 1 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.577 -1.710 25600 101 1 1 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.621 -0.747 25600 102 1 1 . 1 1 23 23 GLU H H 23 8.188 8.188 8.793 -0.605 25600 103 1 1 . 1 1 24 24 ASN N N 24 125.841 125.841 120.261 5.580 25600 104 1 1 . 1 1 24 24 ASN HA H 24 4.778 4.778 5.015 -0.237 25600 105 1 1 . 1 1 24 24 ASN CA C 24 52.511 52.511 52.565 -0.054 25600 106 1 1 . 1 1 24 24 ASN CB C 24 39.746 39.746 40.229 -0.483 25600 107 1 1 . 1 1 24 24 ASN H H 24 9.391 9.391 8.349 1.042 25600 108 1 1 . 1 1 25 25 PHE N N 25 122.823 122.823 120.897 1.926 25600 109 1 1 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.906 -0.255 25600 110 1 1 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.334 0.789 25600 111 1 1 . 1 1 25 25 PHE CB C 25 39.059 39.059 42.715 -3.656 25600 112 1 1 . 1 1 25 25 PHE H H 25 8.062 8.062 8.018 0.044 25600 113 1 1 . 1 1 26 26 LYS N N 26 119.114 119.114 120.290 -1.176 25600 114 1 1 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.642 0.602 25600 115 1 1 . 1 1 26 26 LYS CA C 26 52.976 52.976 56.478 -3.502 25600 116 1 1 . 1 1 26 26 LYS CB C 26 34.661 34.661 35.825 -1.164 25600 117 1 1 . 1 1 26 26 LYS H H 26 9.255 9.255 8.733 0.522 25600 118 1 1 . 1 1 27 27 ALA N N 27 125.586 125.586 128.877 -3.291 25600 119 1 1 . 1 1 27 27 ALA HA H 27 5.262 5.262 4.909 0.353 25600 120 1 1 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.261 -2.444 25600 121 1 1 . 1 1 27 27 ALA CB C 27 21.160 21.160 21.556 -0.396 25600 122 1 1 . 1 1 27 27 ALA H H 27 9.120 9.120 8.990 0.130 25600 123 1 1 . 1 1 28 28 THR N N 28 120.627 120.627 121.601 -0.974 25600 124 1 1 . 1 1 28 28 THR HA H 28 4.837 4.837 4.939 -0.102 25600 125 1 1 . 1 1 28 28 THR CA C 28 60.566 60.566 61.690 -1.124 25600 126 1 1 . 1 1 28 28 THR CB C 28 69.478 69.478 71.199 -1.721 25600 127 1 1 . 1 1 28 28 THR H H 28 9.062 9.062 8.250 0.812 25600 128 1 1 . 1 1 29 29 GLY N N 29 115.788 115.788 113.911 1.877 25600 129 1 1 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.769 0.547 25600 130 1 1 . 1 1 29 29 GLY H H 29 9.663 9.663 9.375 0.288 25600 131 1 1 . 1 1 30 30 ILE N N 30 123.085 123.085 124.564 -1.479 25600 132 1 1 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.659 0.119 25600 133 1 1 . 1 1 30 30 ILE CA C 30 59.388 59.388 60.313 -0.925 25600 134 1 1 . 1 1 30 30 ILE CB C 30 36.883 36.883 41.042 -4.159 25600 135 1 1 . 1 1 30 30 ILE H H 30 7.914 7.914 8.982 -1.068 25600 136 1 1 . 1 1 31 31 PHE N N 31 125.209 125.209 124.292 0.917 25600 137 1 1 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.119 0.251 25600 138 1 1 . 1 1 31 31 PHE CA C 31 56.487 56.487 56.192 0.295 25600 139 1 1 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.454 -1.301 25600 140 1 1 . 1 1 31 31 PHE H H 31 8.316 8.316 8.803 -0.487 25600 141 1 1 . 1 1 32 32 THR N N 32 113.843 113.843 117.123 -3.280 25600 142 1 1 . 1 1 32 32 THR HA H 32 4.404 4.404 4.193 0.211 25600 143 1 1 . 1 1 32 32 THR CA C 32 64.157 64.157 65.708 -1.551 25600 144 1 1 . 1 1 32 32 THR CB C 32 68.540 68.540 68.887 -0.347 25600 145 1 1 . 1 1 32 32 THR H H 32 9.335 9.335 9.036 0.299 25600 146 1 1 . 1 1 33 33 ASP N N 33 118.800 118.800 120.212 -1.412 25600 147 1 1 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.679 -0.058 25600 148 1 1 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.749 -1.786 25600 149 1 1 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.663 -2.169 25600 150 1 1 . 1 1 33 33 ASP H H 33 7.689 7.689 8.219 -0.530 25600 151 1 1 . 1 1 34 34 ASN N N 34 112.995 112.995 114.118 -1.123 25600 152 1 1 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.389 -0.041 25600 153 1 1 . 1 1 34 34 ASN CA C 34 54.346 54.346 55.092 -0.746 25600 154 1 1 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.165 0.325 25600 155 1 1 . 1 1 34 34 ASN H H 34 8.370 8.370 8.040 0.330 25600 156 1 1 . 1 1 35 35 SER N N 35 115.545 115.545 114.971 0.574 25600 157 1 1 . 1 1 35 35 SER HA H 35 4.413 4.413 4.649 -0.236 25600 158 1 1 . 1 1 35 35 SER CA C 35 57.882 57.882 57.725 0.157 25600 159 1 1 . 1 1 35 35 SER CB C 35 63.770 63.770 63.549 0.221 25600 160 1 1 . 1 1 35 35 SER H H 35 7.990 7.990 8.091 -0.101 25600 161 1 1 . 1 1 36 36 ASN N N 36 116.053 116.053 123.438 -7.385 25600 162 1 1 . 1 1 36 36 ASN HA H 36 2.890 2.890 5.165 -2.275 25600 163 1 1 . 1 1 36 36 ASN CA C 36 50.674 50.674 53.203 -2.529 25600 164 1 1 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.157 1.642 25600 165 1 1 . 1 1 36 36 ASN H H 36 8.518 8.518 8.530 -0.012 25600 166 1 1 . 1 1 37 37 SER N N 37 113.191 113.191 115.768 -2.577 25600 167 1 1 . 1 1 37 37 SER HA H 37 4.715 4.715 4.701 0.014 25600 168 1 1 . 1 1 37 37 SER CA C 37 56.801 56.801 57.265 -0.464 25600 169 1 1 . 1 1 37 37 SER CB C 37 64.872 64.872 65.632 -0.760 25600 170 1 1 . 1 1 37 37 SER H H 37 8.667 8.667 8.710 -0.043 25600 171 1 1 . 1 1 38 38 ASP N N 38 123.962 123.962 121.918 2.044 25600 172 1 1 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.986 0.001 25600 173 1 1 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.562 0.639 25600 174 1 1 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.517 -1.588 25600 175 1 1 . 1 1 38 38 ASP H H 38 8.848 8.848 8.555 0.293 25600 176 1 1 . 1 1 39 39 ILE N N 39 121.216 121.216 125.145 -3.929 25600 177 1 1 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.809 1.062 25600 178 1 1 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.364 -2.657 25600 179 1 1 . 1 1 39 39 ILE CB C 39 37.086 37.086 37.531 -0.445 25600 180 1 1 . 1 1 39 39 ILE H H 39 8.815 8.815 8.731 0.084 25600 181 1 1 . 1 1 40 40 THR N N 40 122.867 122.867 114.622 8.245 25600 182 1 1 . 1 1 40 40 THR HA H 40 4.288 4.288 4.109 0.179 25600 183 1 1 . 1 1 40 40 THR CB C 40 68.527 68.527 68.791 -0.264 25600 184 1 1 . 1 1 40 40 THR H H 40 8.679 8.679 8.099 0.580 25600 185 1 1 . 1 1 41 41 ASP N N 41 114.081 114.081 119.675 -5.594 25600 186 1 1 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.887 -1.189 25600 187 1 1 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.337 -0.859 25600 188 1 1 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.803 -2.085 25600 189 1 1 . 1 1 41 41 ASP H H 41 8.539 8.539 8.498 0.041 25600 190 1 1 . 1 1 42 42 GLN N N 42 117.087 117.087 116.319 0.768 25600 191 1 1 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.056 0.095 25600 192 1 1 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.049 -0.513 25600 193 1 1 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.447 2.769 25600 194 1 1 . 1 1 42 42 GLN H H 42 7.718 7.718 7.320 0.398 25600 195 1 1 . 1 1 43 43 VAL N N 43 109.916 109.916 123.451 -13.535 25600 196 1 1 . 1 1 43 43 VAL HA H 43 4.089 4.089 4.574 -0.485 25600 197 1 1 . 1 1 43 43 VAL CA C 43 58.840 58.840 61.275 -2.435 25600 198 1 1 . 1 1 43 43 VAL CB C 43 31.273 31.273 33.085 -1.812 25600 199 1 1 . 1 1 43 43 VAL H H 43 6.902 6.902 8.312 -1.410 25600 200 1 1 . 1 1 44 44 THR N N 44 116.272 116.272 125.185 -8.913 25600 201 1 1 . 1 1 44 44 THR HA H 44 4.315 4.315 4.592 -0.277 25600 202 1 1 . 1 1 44 44 THR CA C 44 61.651 61.651 62.259 -0.608 25600 203 1 1 . 1 1 44 44 THR CB C 44 68.890 68.890 69.061 -0.171 25600 204 1 1 . 1 1 44 44 THR H H 44 8.787 8.787 8.822 -0.035 25600 205 1 1 . 1 1 45 45 TRP N N 45 132.098 132.098 125.483 6.615 25600 206 1 1 . 1 1 45 45 TRP HA H 45 5.245 5.245 5.088 0.157 25600 207 1 1 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.671 0.716 25600 208 1 1 . 1 1 45 45 TRP CB C 45 30.077 30.077 30.009 0.068 25600 209 1 1 . 1 1 45 45 TRP H H 45 10.351 10.351 8.340 2.011 25600 210 1 1 . 1 1 46 46 ASP N N 46 121.897 121.897 124.388 -2.491 25600 211 1 1 . 1 1 46 46 ASP HA H 46 4.857 4.857 5.070 -0.213 25600 212 1 1 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.836 -1.039 25600 213 1 1 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.146 -0.071 25600 214 1 1 . 1 1 46 46 ASP H H 46 9.471 9.471 8.503 0.968 25600 215 1 1 . 1 1 47 47 SER N N 47 113.805 113.805 117.881 -4.076 25600 216 1 1 . 1 1 47 47 SER HA H 47 5.043 5.043 5.422 -0.379 25600 217 1 1 . 1 1 47 47 SER CA C 47 53.059 53.059 56.606 -3.547 25600 218 1 1 . 1 1 47 47 SER CB C 47 64.880 64.880 64.954 -0.074 25600 219 1 1 . 1 1 47 47 SER H H 47 8.502 8.502 8.585 -0.083 25600 220 1 1 . 1 1 48 48 SER N N 48 119.614 119.614 119.908 -0.294 25600 221 1 1 . 1 1 48 48 SER HA H 48 4.264 4.264 4.260 0.004 25600 222 1 1 . 1 1 48 48 SER CA C 48 59.404 59.404 60.270 -0.866 25600 223 1 1 . 1 1 48 48 SER CB C 48 62.026 62.026 63.631 -1.605 25600 224 1 1 . 1 1 48 48 SER H H 48 8.517 8.517 8.724 -0.207 25600 225 1 1 . 1 1 49 49 ASN N N 49 118.260 118.260 116.792 1.468 25600 226 1 1 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.500 0.398 25600 227 1 1 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.499 -1.659 25600 228 1 1 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.551 -0.831 25600 229 1 1 . 1 1 49 49 ASN H H 49 7.816 7.816 8.511 -0.695 25600 230 1 1 . 1 1 50 50 THR N N 50 119.288 119.288 112.360 6.928 25600 231 1 1 . 1 1 50 50 THR HA H 50 4.541 4.541 4.458 0.083 25600 232 1 1 . 1 1 50 50 THR CA C 50 62.137 62.137 62.860 -0.723 25600 233 1 1 . 1 1 50 50 THR CB C 50 67.100 67.100 69.472 -2.372 25600 234 1 1 . 1 1 50 50 THR H H 50 9.049 9.049 8.403 0.646 25600 235 1 1 . 1 1 51 51 ASP N N 51 118.825 118.825 121.201 -2.376 25600 236 1 1 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.807 -0.221 25600 237 1 1 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.223 0.467 25600 238 1 1 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.482 -2.824 25600 239 1 1 . 1 1 51 51 ASP H H 51 8.251 8.251 8.501 -0.250 25600 240 1 1 . 1 1 52 52 ILE N N 52 118.411 118.411 121.368 -2.957 25600 241 1 1 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.375 -0.450 25600 242 1 1 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.210 0.471 25600 243 1 1 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.543 -0.647 25600 244 1 1 . 1 1 52 52 ILE H H 52 7.169 7.169 8.153 -0.984 25600 245 1 1 . 1 1 53 53 LEU N N 53 120.126 120.126 122.677 -2.551 25600 246 1 1 . 1 1 53 53 LEU HA H 53 5.021 5.021 5.298 -0.277 25600 247 1 1 . 1 1 53 53 LEU CA C 53 53.281 53.281 54.157 -0.876 25600 248 1 1 . 1 1 53 53 LEU CB C 53 46.405 46.405 45.106 1.299 25600 249 1 1 . 1 1 53 53 LEU H H 53 7.876 7.876 7.893 -0.017 25600 250 1 1 . 1 1 54 54 SER N N 54 122.252 122.252 118.730 3.522 25600 251 1 1 . 1 1 54 54 SER HA H 54 4.959 4.959 4.920 0.039 25600 252 1 1 . 1 1 54 54 SER CA C 54 54.724 54.724 57.174 -2.450 25600 253 1 1 . 1 1 54 54 SER CB C 54 64.417 64.417 66.111 -1.694 25600 254 1 1 . 1 1 54 54 SER H H 54 8.650 8.650 8.760 -0.110 25600 255 1 1 . 1 1 55 55 ILE N N 55 123.973 123.973 123.970 0.003 25600 256 1 1 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.512 0.389 25600 257 1 1 . 1 1 55 55 ILE CA C 55 58.868 58.868 60.010 -1.142 25600 258 1 1 . 1 1 55 55 ILE CB C 55 41.418 41.418 40.675 0.743 25600 259 1 1 . 1 1 55 55 ILE H H 55 9.081 9.081 8.570 0.511 25600 260 1 1 . 1 1 56 56 SER N N 56 119.540 119.540 120.966 -1.426 25600 261 1 1 . 1 1 56 56 SER HA H 56 4.387 4.387 4.163 0.224 25600 262 1 1 . 1 1 56 56 SER CA C 56 56.626 56.626 56.243 0.383 25600 263 1 1 . 1 1 56 56 SER CB C 56 63.106 63.106 65.423 -2.317 25600 264 1 1 . 1 1 56 56 SER H H 56 7.905 7.905 8.541 -0.636 25600 265 1 1 . 1 1 57 57 ASN N N 57 124.207 124.207 121.594 2.613 25600 266 1 1 . 1 1 57 57 ASN HA H 57 5.019 5.019 4.518 0.501 25600 267 1 1 . 1 1 57 57 ASN CA C 57 52.469 52.469 51.959 0.510 25600 268 1 1 . 1 1 57 57 ASN CB C 57 40.090 40.090 38.109 1.981 25600 269 1 1 . 1 1 57 57 ASN H H 57 8.945 8.945 8.429 0.516 25600 270 1 1 . 1 1 58 58 ALA N N 58 124.301 124.301 121.104 3.197 25600 271 1 1 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.026 0.107 25600 272 1 1 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.692 -1.405 25600 273 1 1 . 1 1 58 58 ALA CB C 58 18.354 18.354 18.506 -0.152 25600 274 1 1 . 1 1 58 58 ALA H H 58 8.150 8.150 7.385 0.765 25600 275 1 1 . 1 1 59 59 SER N N 59 113.299 113.299 114.655 -1.356 25600 276 1 1 . 1 1 59 59 SER HA H 59 4.698 4.698 4.243 0.455 25600 277 1 1 . 1 1 59 59 SER CA C 59 60.003 60.003 59.520 0.483 25600 278 1 1 . 1 1 59 59 SER CB C 59 62.574 62.574 63.472 -0.898 25600 279 1 1 . 1 1 59 59 SER H H 59 8.377 8.377 8.578 -0.201 25600 280 1 1 . 1 1 60 60 ASP N N 60 116.275 116.275 121.130 -4.855 25600 281 1 1 . 1 1 60 60 ASP HA H 60 4.661 4.661 4.463 0.198 25600 282 1 1 . 1 1 60 60 ASP CA C 60 52.769 52.769 55.846 -3.077 25600 283 1 1 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.472 -1.760 25600 284 1 1 . 1 1 60 60 ASP H H 60 8.311 8.311 7.891 0.420 25600 285 1 1 . 1 1 61 61 SER N N 61 112.650 112.650 111.326 1.324 25600 286 1 1 . 1 1 61 61 SER HA H 61 4.630 4.630 4.379 0.251 25600 287 1 1 . 1 1 61 61 SER CA C 61 56.180 56.180 58.623 -2.443 25600 288 1 1 . 1 1 61 61 SER CB C 61 61.843 61.843 63.392 -1.550 25600 289 1 1 . 1 1 61 61 SER H H 61 7.588 7.588 8.257 -0.669 25600 290 1 1 . 1 1 62 62 HIS N N 62 119.790 119.790 123.599 -3.809 25600 291 1 1 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.485 -0.438 25600 292 1 1 . 1 1 62 62 HIS CA C 62 56.919 56.919 58.160 -1.241 25600 293 1 1 . 1 1 62 62 HIS CB C 62 27.524 27.524 29.696 -2.172 25600 294 1 1 . 1 1 62 62 HIS H H 62 8.029 8.029 7.509 0.520 25600 295 1 1 . 1 1 63 63 GLY N N 63 113.301 113.301 108.034 5.267 25600 296 1 1 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.520 -0.867 25600 297 1 1 . 1 1 63 63 GLY H H 63 8.733 8.733 8.356 0.377 25600 298 1 1 . 1 1 64 64 LEU N N 64 120.664 120.664 122.054 -1.390 25600 299 1 1 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.039 -0.653 25600 300 1 1 . 1 1 64 64 LEU CA C 64 54.893 54.893 54.444 0.449 25600 301 1 1 . 1 1 64 64 LEU CB C 64 41.463 41.463 46.345 -4.882 25600 302 1 1 . 1 1 64 64 LEU H H 64 7.679 7.679 8.063 -0.384 25600 303 1 1 . 1 1 65 65 ALA N N 65 108.346 108.346 123.456 -15.110 25600 304 1 1 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.775 0.627 25600 305 1 1 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.422 -1.155 25600 306 1 1 . 1 1 65 65 ALA CB C 65 21.555 21.555 22.049 -0.494 25600 307 1 1 . 1 1 65 65 ALA H H 65 9.874 9.874 8.685 1.189 25600 308 1 1 . 1 1 66 66 SER N N 66 115.951 115.951 119.286 -3.335 25600 309 1 1 . 1 1 66 66 SER HA H 66 4.909 4.909 5.344 -0.435 25600 310 1 1 . 1 1 66 66 SER CA C 66 56.645 56.645 56.966 -0.321 25600 311 1 1 . 1 1 66 66 SER CB C 66 63.823 63.823 65.306 -1.483 25600 312 1 1 . 1 1 66 66 SER H H 66 8.938 8.938 8.657 0.281 25600 313 1 1 . 1 1 67 67 THR N N 67 113.596 113.596 120.655 -7.059 25600 314 1 1 . 1 1 67 67 THR HA H 67 4.649 4.649 5.107 -0.458 25600 315 1 1 . 1 1 67 67 THR CA C 67 59.216 59.216 59.642 -0.426 25600 316 1 1 . 1 1 67 67 THR CB C 67 69.006 69.006 70.585 -1.579 25600 317 1 1 . 1 1 67 67 THR H H 67 8.258 8.258 8.152 0.106 25600 318 1 1 . 1 1 68 68 LEU N N 68 124.151 124.151 121.223 2.928 25600 319 1 1 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.867 -0.511 25600 320 1 1 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.854 0.258 25600 321 1 1 . 1 1 68 68 LEU CB C 68 42.915 42.915 41.979 0.936 25600 322 1 1 . 1 1 68 68 LEU H H 68 8.616 8.616 8.337 0.279 25600 323 1 1 . 1 1 69 69 ASN N N 69 115.821 115.821 117.483 -1.662 25600 324 1 1 . 1 1 69 69 ASN HA H 69 4.644 4.644 5.023 -0.379 25600 325 1 1 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.736 -0.279 25600 326 1 1 . 1 1 69 69 ASN CB C 69 42.306 42.306 41.642 0.664 25600 327 1 1 . 1 1 69 69 ASN H H 69 7.965 7.965 7.557 0.408 25600 328 1 1 . 1 1 70 70 GLN N N 70 114.564 114.564 118.238 -3.674 25600 329 1 1 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.622 -0.697 25600 330 1 1 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.055 0.182 25600 331 1 1 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.519 0.487 25600 332 1 1 . 1 1 70 70 GLN H H 70 8.287 8.287 8.632 -0.345 25600 333 1 1 . 1 1 71 71 GLY N N 71 108.006 108.006 108.973 -0.967 25600 334 1 1 . 1 1 71 71 GLY CA C 71 43.686 43.686 44.489 -0.803 25600 335 1 1 . 1 1 71 71 GLY H H 71 8.520 8.520 8.052 0.468 25600 336 1 1 . 1 1 72 72 ASN N N 72 117.785 117.785 117.986 -0.201 25600 337 1 1 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.238 0.235 25600 338 1 1 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.239 -0.548 25600 339 1 1 . 1 1 72 72 ASN CB C 72 39.896 39.896 40.636 -0.740 25600 340 1 1 . 1 1 72 72 ASN H H 72 8.420 8.420 8.395 0.025 25600 341 1 1 . 1 1 73 73 VAL N N 73 115.848 115.848 117.322 -1.474 25600 342 1 1 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.544 -0.013 25600 343 1 1 . 1 1 73 73 VAL CA C 73 58.975 58.975 60.076 -1.101 25600 344 1 1 . 1 1 73 73 VAL CB C 73 35.179 35.179 34.525 0.654 25600 345 1 1 . 1 1 73 73 VAL H H 73 8.990 8.990 9.106 -0.116 25600 346 1 1 . 1 1 74 74 LYS N N 74 123.195 123.195 125.789 -2.594 25600 347 1 1 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.633 0.523 25600 348 1 1 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.956 -1.075 25600 349 1 1 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.591 0.006 25600 350 1 1 . 1 1 74 74 LYS H H 74 8.715 8.715 8.654 0.061 25600 351 1 1 . 1 1 75 75 VAL N N 75 129.522 129.522 128.155 1.367 25600 352 1 1 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.786 -0.244 25600 353 1 1 . 1 1 75 75 VAL CA C 75 60.816 60.816 60.568 0.248 25600 354 1 1 . 1 1 75 75 VAL CB C 75 32.483 32.483 32.373 0.110 25600 355 1 1 . 1 1 75 75 VAL H H 75 8.975 8.975 8.275 0.700 25600 356 1 1 . 1 1 76 76 THR N N 76 120.548 120.548 121.175 -0.627 25600 357 1 1 . 1 1 76 76 THR HA H 76 5.066 5.066 4.734 0.332 25600 358 1 1 . 1 1 76 76 THR CA C 76 59.783 59.783 60.467 -0.683 25600 359 1 1 . 1 1 76 76 THR CB C 76 70.733 70.733 71.374 -0.641 25600 360 1 1 . 1 1 76 76 THR H H 76 8.650 8.650 8.819 -0.169 25600 361 1 1 . 1 1 77 77 ALA N N 77 126.454 126.454 126.678 -0.224 25600 362 1 1 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.691 -1.311 25600 363 1 1 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.599 -2.169 25600 364 1 1 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.579 -2.035 25600 365 1 1 . 1 1 77 77 ALA H H 77 8.674 8.674 8.231 0.443 25600 366 1 1 . 1 1 78 78 SER N N 78 113.568 113.568 117.402 -3.834 25600 367 1 1 . 1 1 78 78 SER HA H 78 5.376 5.376 4.900 0.476 25600 368 1 1 . 1 1 78 78 SER CA C 78 56.077 56.077 56.768 -0.691 25600 369 1 1 . 1 1 78 78 SER CB C 78 65.730 65.730 65.815 -0.085 25600 370 1 1 . 1 1 78 78 SER H H 78 8.117 8.117 8.377 -0.260 25600 371 1 1 . 1 1 79 79 ILE N N 79 121.071 121.071 124.571 -3.500 25600 372 1 1 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.432 -0.291 25600 373 1 1 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.567 0.557 25600 374 1 1 . 1 1 79 79 ILE CB C 79 38.809 38.809 41.106 -2.297 25600 375 1 1 . 1 1 79 79 ILE H H 79 8.446 8.446 7.801 0.645 25600 376 1 1 . 1 1 80 80 GLY N N 80 117.157 117.157 117.281 -0.124 25600 377 1 1 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.662 -0.656 25600 378 1 1 . 1 1 80 80 GLY H H 80 8.899 8.899 8.949 -0.050 25600 379 1 1 . 1 1 81 81 GLY N N 81 110.716 110.716 110.151 0.565 25600 380 1 1 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.896 -0.518 25600 381 1 1 . 1 1 81 81 GLY H H 81 8.742 8.742 8.041 0.701 25600 382 1 1 . 1 1 82 82 ILE N N 82 124.112 124.112 122.215 1.897 25600 383 1 1 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.276 -0.076 25600 384 1 1 . 1 1 82 82 ILE CA C 82 59.033 59.033 60.093 -1.060 25600 385 1 1 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.717 -1.940 25600 386 1 1 . 1 1 82 82 ILE H H 82 8.188 8.188 8.009 0.179 25600 387 1 1 . 1 1 83 83 GLN N N 83 122.453 122.453 121.851 0.602 25600 388 1 1 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.587 0.808 25600 389 1 1 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.236 -1.216 25600 390 1 1 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.849 -0.334 25600 391 1 1 . 1 1 83 83 GLN H H 83 8.423 8.423 8.198 0.225 25600 392 1 1 . 1 1 84 84 GLY N N 84 111.437 111.437 108.519 2.918 25600 393 1 1 . 1 1 84 84 GLY CA C 84 43.698 43.698 43.526 0.172 25600 394 1 1 . 1 1 84 84 GLY H H 84 8.931 8.931 8.840 0.091 25600 395 1 1 . 1 1 85 85 SER N N 85 113.877 113.877 114.393 -0.516 25600 396 1 1 . 1 1 85 85 SER HA H 85 5.841 5.841 5.102 0.739 25600 397 1 1 . 1 1 85 85 SER CA C 85 56.264 56.264 57.276 -1.012 25600 398 1 1 . 1 1 85 85 SER CB C 85 66.946 66.946 66.578 0.368 25600 399 1 1 . 1 1 85 85 SER H H 85 8.710 8.710 8.230 0.480 25600 400 1 1 . 1 1 86 86 THR N N 86 115.389 115.389 113.759 1.630 25600 401 1 1 . 1 1 86 86 THR HA H 86 4.772 4.772 4.664 0.108 25600 402 1 1 . 1 1 86 86 THR CA C 86 60.313 60.313 61.406 -1.093 25600 403 1 1 . 1 1 86 86 THR CB C 86 69.953 69.953 71.587 -1.634 25600 404 1 1 . 1 1 86 86 THR H H 86 8.854 8.854 8.766 0.088 25600 405 1 1 . 1 1 87 87 ASP N N 87 124.623 124.623 121.913 2.710 25600 406 1 1 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.891 0.545 25600 407 1 1 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.386 0.410 25600 408 1 1 . 1 1 87 87 ASP CB C 87 42.010 42.010 43.025 -1.015 25600 409 1 1 . 1 1 87 87 ASP H H 87 7.953 7.953 8.522 -0.569 25600 410 1 1 . 1 1 88 88 PHE N N 88 123.577 123.577 124.368 -0.791 25600 411 1 1 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.230 -0.299 25600 412 1 1 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.704 0.264 25600 413 1 1 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.647 -0.763 25600 414 1 1 . 1 1 88 88 PHE H H 88 9.094 9.094 8.787 0.307 25600 415 1 1 . 1 1 89 89 LYS N N 89 126.965 126.965 125.471 1.494 25600 416 1 1 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.816 0.222 25600 417 1 1 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.259 -1.370 25600 418 1 1 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.109 -0.441 25600 419 1 1 . 1 1 89 89 LYS H H 89 7.269 7.269 8.247 -0.978 25600 420 1 1 . 1 1 90 90 VAL N N 90 126.148 126.148 125.178 0.970 25600 421 1 1 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.347 -0.336 25600 422 1 1 . 1 1 90 90 VAL CA C 90 59.547 59.547 58.840 0.707 25600 423 1 1 . 1 1 90 90 VAL CB C 90 30.948 30.948 32.476 -1.528 25600 424 1 1 . 1 1 90 90 VAL H H 90 9.086 9.086 8.450 0.636 25600 425 1 1 . 1 1 91 91 THR N N 91 120.506 120.506 119.723 0.783 25600 426 1 1 . 1 1 91 91 THR HA H 91 4.568 4.568 4.731 -0.163 25600 427 1 1 . 1 1 91 91 THR CA C 91 59.348 59.348 60.026 -0.678 25600 428 1 1 . 1 1 91 91 THR CB C 91 68.970 68.970 71.309 -2.339 25600 429 1 1 . 1 1 91 91 THR H H 91 8.757 8.757 7.880 0.877 25600 430 1 2 . 1 1 2 2 PRO HA H 2 4.277 4.277 4.600 -0.323 25600 431 1 2 . 1 1 2 2 PRO CA C 2 61.221 61.221 63.093 -1.873 25600 432 1 2 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.084 -0.667 25600 433 1 2 . 1 1 3 3 ALA N N 3 123.804 123.804 124.756 -0.952 25600 434 1 2 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.491 -0.285 25600 435 1 2 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.611 -0.216 25600 436 1 2 . 1 1 3 3 ALA CB C 3 18.840 18.840 20.076 -1.236 25600 437 1 2 . 1 1 3 3 ALA H H 3 8.647 8.647 8.091 0.556 25600 438 1 2 . 1 1 4 4 ALA N N 4 124.059 124.059 122.440 1.619 25600 439 1 2 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.767 -0.058 25600 440 1 2 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.838 -0.816 25600 441 1 2 . 1 1 4 4 ALA CB C 4 19.897 19.897 21.269 -1.372 25600 442 1 2 . 1 1 4 4 ALA H H 4 8.239 8.239 8.229 0.010 25600 443 1 2 . 1 1 5 5 LEU N N 5 124.019 124.019 121.186 2.833 25600 444 1 2 . 1 1 5 5 LEU HA H 5 3.372 3.372 3.952 -0.580 25600 445 1 2 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.106 -1.098 25600 446 1 2 . 1 1 5 5 LEU CB C 5 41.242 41.242 42.031 -0.789 25600 447 1 2 . 1 1 5 5 LEU H H 5 8.560 8.560 8.565 -0.005 25600 448 1 2 . 1 1 6 6 VAL N N 6 123.356 123.356 119.621 3.735 25600 449 1 2 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.281 -0.184 25600 450 1 2 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.477 -0.137 25600 451 1 2 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.774 -0.826 25600 452 1 2 . 1 1 6 6 VAL H H 6 9.119 9.119 8.259 0.860 25600 453 1 2 . 1 1 7 7 SER N N 7 112.134 112.134 112.980 -0.846 25600 454 1 2 . 1 1 7 7 SER HA H 7 4.445 4.445 4.765 -0.320 25600 455 1 2 . 1 1 7 7 SER CA C 7 56.349 56.349 57.473 -1.124 25600 456 1 2 . 1 1 7 7 SER CB C 7 64.361 64.361 66.300 -1.940 25600 457 1 2 . 1 1 7 7 SER H H 7 7.680 7.680 7.668 0.012 25600 458 1 2 . 1 1 8 8 ILE N N 8 118.674 118.674 116.240 2.434 25600 459 1 2 . 1 1 8 8 ILE HA H 8 4.673 4.673 4.960 -0.287 25600 460 1 2 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.884 -0.738 25600 461 1 2 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.495 -0.821 25600 462 1 2 . 1 1 8 8 ILE H H 8 8.354 8.354 8.218 0.136 25600 463 1 2 . 1 1 9 9 SER N N 9 121.318 121.318 120.423 0.895 25600 464 1 2 . 1 1 9 9 SER HA H 9 4.863 4.863 4.972 -0.109 25600 465 1 2 . 1 1 9 9 SER CA C 9 55.381 55.381 57.443 -2.062 25600 466 1 2 . 1 1 9 9 SER CB C 9 64.243 64.243 63.840 0.403 25600 467 1 2 . 1 1 9 9 SER H H 9 9.028 9.028 8.868 0.160 25600 468 1 2 . 1 1 10 10 VAL N N 10 127.509 127.509 120.709 6.800 25600 469 1 2 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.592 0.458 25600 470 1 2 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.971 -0.060 25600 471 1 2 . 1 1 10 10 VAL CB C 10 33.387 33.387 34.238 -0.851 25600 472 1 2 . 1 1 10 10 VAL H H 10 8.911 8.911 8.432 0.479 25600 473 1 2 . 1 1 11 11 SER N N 11 121.861 121.861 122.606 -0.745 25600 474 1 2 . 1 1 11 11 SER CB C 11 64.373 64.373 62.964 1.409 25600 475 1 2 . 1 1 11 11 SER H H 11 9.205 9.205 8.671 0.534 25600 476 1 2 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.587 0.117 25600 477 1 2 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.872 -1.973 25600 478 1 2 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.152 1.937 25600 479 1 2 . 1 1 13 13 THR N N 13 116.138 116.138 115.452 0.686 25600 480 1 2 . 1 1 13 13 THR HA H 13 4.770 4.770 4.462 0.308 25600 481 1 2 . 1 1 13 13 THR CA C 13 60.153 60.153 61.282 -1.129 25600 482 1 2 . 1 1 13 13 THR CB C 13 69.426 69.426 70.178 -0.752 25600 483 1 2 . 1 1 13 13 THR H H 13 8.679 8.679 8.187 0.492 25600 484 1 2 . 1 1 14 14 ASN N N 14 124.457 124.457 125.727 -1.270 25600 485 1 2 . 1 1 14 14 ASN HA H 14 4.695 4.695 4.917 -0.222 25600 486 1 2 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.800 0.328 25600 487 1 2 . 1 1 14 14 ASN CB C 14 36.593 36.593 38.718 -2.125 25600 488 1 2 . 1 1 14 14 ASN H H 14 8.710 8.710 8.745 -0.035 25600 489 1 2 . 1 1 15 15 SER N N 15 113.673 113.673 117.229 -3.556 25600 490 1 2 . 1 1 15 15 SER HA H 15 4.648 4.648 4.744 -0.096 25600 491 1 2 . 1 1 15 15 SER CA C 15 55.644 55.644 56.881 -1.237 25600 492 1 2 . 1 1 15 15 SER CB C 15 63.953 63.953 64.429 -0.476 25600 493 1 2 . 1 1 15 15 SER H H 15 9.127 9.127 8.347 0.780 25600 494 1 2 . 1 1 16 16 THR N N 16 113.579 113.579 115.983 -2.404 25600 495 1 2 . 1 1 16 16 THR HA H 16 4.976 4.976 4.706 0.270 25600 496 1 2 . 1 1 16 16 THR CA C 16 58.445 58.445 60.316 -1.871 25600 497 1 2 . 1 1 16 16 THR CB C 16 70.534 70.534 69.971 0.563 25600 498 1 2 . 1 1 16 16 THR H H 16 7.962 7.962 8.303 -0.341 25600 499 1 2 . 1 1 17 17 VAL N N 17 121.479 121.479 121.216 0.263 25600 500 1 2 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.603 -0.283 25600 501 1 2 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.181 0.756 25600 502 1 2 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.487 -0.083 25600 503 1 2 . 1 1 17 17 VAL H H 17 7.969 7.969 8.145 -0.176 25600 504 1 2 . 1 1 18 18 ALA N N 18 126.014 126.014 124.559 1.455 25600 505 1 2 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.354 -0.179 25600 506 1 2 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.860 -0.897 25600 507 1 2 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.647 -0.725 25600 508 1 2 . 1 1 18 18 ALA H H 18 7.756 7.756 8.254 -0.498 25600 509 1 2 . 1 1 19 19 LYS N N 19 119.741 119.741 122.673 -2.932 25600 510 1 2 . 1 1 19 19 LYS HA H 19 3.487 3.487 3.881 -0.394 25600 511 1 2 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.430 0.342 25600 512 1 2 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.513 -0.911 25600 513 1 2 . 1 1 19 19 LYS H H 19 7.893 7.893 8.083 -0.190 25600 514 1 2 . 1 1 20 20 GLY N N 20 116.709 116.709 113.297 3.412 25600 515 1 2 . 1 1 20 20 GLY CA C 20 43.763 43.763 44.990 -1.227 25600 516 1 2 . 1 1 20 20 GLY H H 20 8.615 8.615 8.513 0.102 25600 517 1 2 . 1 1 21 21 LEU N N 21 123.004 123.004 120.618 2.386 25600 518 1 2 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.859 -0.271 25600 519 1 2 . 1 1 21 21 LEU CA C 21 53.365 53.365 53.289 0.076 25600 520 1 2 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.260 -5.298 25600 521 1 2 . 1 1 21 21 LEU H H 21 8.013 8.013 7.805 0.208 25600 522 1 2 . 1 1 22 22 GLN N N 22 117.504 117.504 115.967 1.537 25600 523 1 2 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.086 0.042 25600 524 1 2 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.221 -0.552 25600 525 1 2 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.887 -0.973 25600 526 1 2 . 1 1 22 22 GLN H H 22 8.223 8.223 8.082 0.141 25600 527 1 2 . 1 1 23 23 GLU N N 23 118.125 118.125 120.768 -2.643 25600 528 1 2 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.677 -0.114 25600 529 1 2 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.196 -2.329 25600 530 1 2 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.542 -0.668 25600 531 1 2 . 1 1 23 23 GLU H H 23 8.188 8.188 8.587 -0.399 25600 532 1 2 . 1 1 24 24 ASN N N 24 125.841 125.841 121.367 4.474 25600 533 1 2 . 1 1 24 24 ASN HA H 24 4.778 4.778 5.730 -0.952 25600 534 1 2 . 1 1 24 24 ASN CA C 24 52.511 52.511 52.384 0.127 25600 535 1 2 . 1 1 24 24 ASN CB C 24 39.746 39.746 41.091 -1.345 25600 536 1 2 . 1 1 24 24 ASN H H 24 9.391 9.391 8.593 0.798 25600 537 1 2 . 1 1 25 25 PHE N N 25 122.823 122.823 119.274 3.549 25600 538 1 2 . 1 1 25 25 PHE HA H 25 4.651 4.651 5.151 -0.500 25600 539 1 2 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.306 0.817 25600 540 1 2 . 1 1 25 25 PHE CB C 25 39.059 39.059 42.169 -3.110 25600 541 1 2 . 1 1 25 25 PHE H H 25 8.062 8.062 8.726 -0.664 25600 542 1 2 . 1 1 26 26 LYS N N 26 119.114 119.114 119.787 -0.673 25600 543 1 2 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.678 0.566 25600 544 1 2 . 1 1 26 26 LYS CA C 26 52.976 52.976 56.350 -3.374 25600 545 1 2 . 1 1 26 26 LYS CB C 26 34.661 34.661 36.364 -1.702 25600 546 1 2 . 1 1 26 26 LYS H H 26 9.255 9.255 8.826 0.429 25600 547 1 2 . 1 1 27 27 ALA N N 27 125.586 125.586 124.340 1.246 25600 548 1 2 . 1 1 27 27 ALA HA H 27 5.262 5.262 4.908 0.354 25600 549 1 2 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.094 -2.277 25600 550 1 2 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.161 -1.001 25600 551 1 2 . 1 1 27 27 ALA H H 27 9.120 9.120 8.651 0.469 25600 552 1 2 . 1 1 28 28 THR N N 28 120.627 120.627 120.251 0.376 25600 553 1 2 . 1 1 28 28 THR HA H 28 4.837 4.837 4.853 -0.016 25600 554 1 2 . 1 1 28 28 THR CA C 28 60.566 60.566 61.695 -1.129 25600 555 1 2 . 1 1 28 28 THR CB C 28 69.478 69.478 70.898 -1.420 25600 556 1 2 . 1 1 28 28 THR H H 28 9.062 9.062 8.314 0.748 25600 557 1 2 . 1 1 29 29 GLY N N 29 115.788 115.788 114.696 1.092 25600 558 1 2 . 1 1 29 29 GLY CA C 29 44.316 44.316 44.042 0.274 25600 559 1 2 . 1 1 29 29 GLY H H 29 9.663 9.663 9.402 0.261 25600 560 1 2 . 1 1 30 30 ILE N N 30 123.085 123.085 123.778 -0.693 25600 561 1 2 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.664 0.114 25600 562 1 2 . 1 1 30 30 ILE CA C 30 59.388 59.388 59.011 0.376 25600 563 1 2 . 1 1 30 30 ILE CB C 30 36.883 36.883 40.643 -3.760 25600 564 1 2 . 1 1 30 30 ILE H H 30 7.914 7.914 8.871 -0.957 25600 565 1 2 . 1 1 31 31 PHE N N 31 125.209 125.209 120.336 4.873 25600 566 1 2 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.064 0.306 25600 567 1 2 . 1 1 31 31 PHE CA C 31 56.487 56.487 56.544 -0.057 25600 568 1 2 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.893 -1.740 25600 569 1 2 . 1 1 31 31 PHE H H 31 8.316 8.316 8.369 -0.053 25600 570 1 2 . 1 1 32 32 THR N N 32 113.843 113.843 116.811 -2.968 25600 571 1 2 . 1 1 32 32 THR HA H 32 4.404 4.404 4.149 0.255 25600 572 1 2 . 1 1 32 32 THR CA C 32 64.157 64.157 65.018 -0.861 25600 573 1 2 . 1 1 32 32 THR CB C 32 68.540 68.540 69.009 -0.469 25600 574 1 2 . 1 1 32 32 THR H H 32 9.335 9.335 8.838 0.497 25600 575 1 2 . 1 1 33 33 ASP N N 33 118.800 118.800 120.065 -1.265 25600 576 1 2 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.686 -0.065 25600 577 1 2 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.413 -1.450 25600 578 1 2 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.609 -2.115 25600 579 1 2 . 1 1 33 33 ASP H H 33 7.689 7.689 8.438 -0.749 25600 580 1 2 . 1 1 34 34 ASN N N 34 112.995 112.995 114.576 -1.581 25600 581 1 2 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.365 -0.017 25600 582 1 2 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.322 0.025 25600 583 1 2 . 1 1 34 34 ASN CB C 34 36.490 36.490 37.323 -0.833 25600 584 1 2 . 1 1 34 34 ASN H H 34 8.370 8.370 8.032 0.338 25600 585 1 2 . 1 1 35 35 SER N N 35 115.545 115.545 114.406 1.139 25600 586 1 2 . 1 1 35 35 SER HA H 35 4.413 4.413 4.663 -0.250 25600 587 1 2 . 1 1 35 35 SER CA C 35 57.882 57.882 57.538 0.344 25600 588 1 2 . 1 1 35 35 SER CB C 35 63.770 63.770 64.292 -0.522 25600 589 1 2 . 1 1 35 35 SER H H 35 7.990 7.990 8.005 -0.015 25600 590 1 2 . 1 1 36 36 ASN N N 36 116.053 116.053 123.747 -7.694 25600 591 1 2 . 1 1 36 36 ASN HA H 36 2.890 2.890 5.462 -2.572 25600 592 1 2 . 1 1 36 36 ASN CA C 36 50.674 50.674 52.303 -1.629 25600 593 1 2 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.340 1.459 25600 594 1 2 . 1 1 36 36 ASN H H 36 8.518 8.518 8.403 0.115 25600 595 1 2 . 1 1 37 37 SER N N 37 113.191 113.191 115.479 -2.288 25600 596 1 2 . 1 1 37 37 SER HA H 37 4.715 4.715 4.802 -0.087 25600 597 1 2 . 1 1 37 37 SER CA C 37 56.801 56.801 56.805 -0.004 25600 598 1 2 . 1 1 37 37 SER CB C 37 64.872 64.872 65.623 -0.751 25600 599 1 2 . 1 1 37 37 SER H H 37 8.667 8.667 8.631 0.036 25600 600 1 2 . 1 1 38 38 ASP N N 38 123.962 123.962 120.377 3.585 25600 601 1 2 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.915 0.072 25600 602 1 2 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.623 0.578 25600 603 1 2 . 1 1 38 38 ASP CB C 38 39.929 39.929 42.057 -2.128 25600 604 1 2 . 1 1 38 38 ASP H H 38 8.848 8.848 8.482 0.366 25600 605 1 2 . 1 1 39 39 ILE N N 39 121.216 121.216 122.103 -0.887 25600 606 1 2 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.778 1.093 25600 607 1 2 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.378 -2.671 25600 608 1 2 . 1 1 39 39 ILE CB C 39 37.086 37.086 37.584 -0.498 25600 609 1 2 . 1 1 39 39 ILE H H 39 8.815 8.815 8.512 0.303 25600 610 1 2 . 1 1 40 40 THR N N 40 122.867 122.867 114.796 8.071 25600 611 1 2 . 1 1 40 40 THR HA H 40 4.288 4.288 4.175 0.113 25600 612 1 2 . 1 1 40 40 THR CB C 40 68.527 68.527 68.875 -0.348 25600 613 1 2 . 1 1 40 40 THR H H 40 8.679 8.679 8.002 0.677 25600 614 1 2 . 1 1 41 41 ASP N N 41 114.081 114.081 119.354 -5.273 25600 615 1 2 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.824 -1.126 25600 616 1 2 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.085 -0.607 25600 617 1 2 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.819 -2.101 25600 618 1 2 . 1 1 41 41 ASP H H 41 8.539 8.539 8.571 -0.032 25600 619 1 2 . 1 1 42 42 GLN N N 42 117.087 117.087 117.115 -0.028 25600 620 1 2 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.005 0.146 25600 621 1 2 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.239 -0.702 25600 622 1 2 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.238 2.978 25600 623 1 2 . 1 1 42 42 GLN H H 42 7.718 7.718 7.346 0.372 25600 624 1 2 . 1 1 43 43 VAL N N 43 109.916 109.916 123.408 -13.492 25600 625 1 2 . 1 1 43 43 VAL HA H 43 4.089 4.089 4.386 -0.297 25600 626 1 2 . 1 1 43 43 VAL CA C 43 58.840 58.840 63.277 -4.437 25600 627 1 2 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.697 -1.424 25600 628 1 2 . 1 1 43 43 VAL H H 43 6.902 6.902 8.361 -1.459 25600 629 1 2 . 1 1 44 44 THR N N 44 116.272 116.272 122.934 -6.662 25600 630 1 2 . 1 1 44 44 THR HA H 44 4.315 4.315 4.575 -0.260 25600 631 1 2 . 1 1 44 44 THR CA C 44 61.651 61.651 62.276 -0.625 25600 632 1 2 . 1 1 44 44 THR CB C 44 68.890 68.890 69.521 -0.631 25600 633 1 2 . 1 1 44 44 THR H H 44 8.787 8.787 8.773 0.014 25600 634 1 2 . 1 1 45 45 TRP N N 45 132.098 132.098 126.016 6.082 25600 635 1 2 . 1 1 45 45 TRP HA H 45 5.245 5.245 5.138 0.107 25600 636 1 2 . 1 1 45 45 TRP CA C 45 55.387 55.387 55.145 0.242 25600 637 1 2 . 1 1 45 45 TRP CB C 45 30.077 30.077 30.354 -0.277 25600 638 1 2 . 1 1 45 45 TRP H H 45 10.351 10.351 8.415 1.936 25600 639 1 2 . 1 1 46 46 ASP N N 46 121.897 121.897 123.487 -1.590 25600 640 1 2 . 1 1 46 46 ASP HA H 46 4.857 4.857 5.081 -0.224 25600 641 1 2 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.777 -0.980 25600 642 1 2 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.582 -0.507 25600 643 1 2 . 1 1 46 46 ASP H H 46 9.471 9.471 8.384 1.087 25600 644 1 2 . 1 1 47 47 SER N N 47 113.805 113.805 117.968 -4.163 25600 645 1 2 . 1 1 47 47 SER HA H 47 5.043 5.043 5.402 -0.359 25600 646 1 2 . 1 1 47 47 SER CA C 47 53.059 53.059 56.826 -3.767 25600 647 1 2 . 1 1 47 47 SER CB C 47 64.880 64.880 66.694 -1.814 25600 648 1 2 . 1 1 47 47 SER H H 47 8.502 8.502 8.428 0.074 25600 649 1 2 . 1 1 48 48 SER N N 48 119.614 119.614 118.111 1.503 25600 650 1 2 . 1 1 48 48 SER HA H 48 4.264 4.264 4.353 -0.089 25600 651 1 2 . 1 1 48 48 SER CA C 48 59.404 59.404 59.467 -0.063 25600 652 1 2 . 1 1 48 48 SER CB C 48 62.026 62.026 63.699 -1.673 25600 653 1 2 . 1 1 48 48 SER H H 48 8.517 8.517 8.689 -0.172 25600 654 1 2 . 1 1 49 49 ASN N N 49 118.260 118.260 116.525 1.735 25600 655 1 2 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.479 0.419 25600 656 1 2 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.206 -1.365 25600 657 1 2 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.546 -0.826 25600 658 1 2 . 1 1 49 49 ASN H H 49 7.816 7.816 7.753 0.063 25600 659 1 2 . 1 1 50 50 THR N N 50 119.288 119.288 116.288 3.000 25600 660 1 2 . 1 1 50 50 THR HA H 50 4.541 4.541 4.529 0.012 25600 661 1 2 . 1 1 50 50 THR CA C 50 62.137 62.137 63.266 -1.129 25600 662 1 2 . 1 1 50 50 THR CB C 50 67.100 67.100 69.758 -2.658 25600 663 1 2 . 1 1 50 50 THR H H 50 9.049 9.049 8.499 0.550 25600 664 1 2 . 1 1 51 51 ASP N N 51 118.825 118.825 119.163 -0.338 25600 665 1 2 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.740 -0.154 25600 666 1 2 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.800 -0.110 25600 667 1 2 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.654 -2.996 25600 668 1 2 . 1 1 51 51 ASP H H 51 8.251 8.251 8.307 -0.056 25600 669 1 2 . 1 1 52 52 ILE N N 52 118.411 118.411 120.076 -1.665 25600 670 1 2 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.354 -0.429 25600 671 1 2 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.560 0.121 25600 672 1 2 . 1 1 52 52 ILE CB C 52 38.896 38.896 38.301 0.595 25600 673 1 2 . 1 1 52 52 ILE H H 52 7.169 7.169 7.743 -0.574 25600 674 1 2 . 1 1 53 53 LEU N N 53 120.126 120.126 125.341 -5.215 25600 675 1 2 . 1 1 53 53 LEU HA H 53 5.021 5.021 5.353 -0.332 25600 676 1 2 . 1 1 53 53 LEU CA C 53 53.281 53.281 54.315 -1.034 25600 677 1 2 . 1 1 53 53 LEU CB C 53 46.405 46.405 45.694 0.711 25600 678 1 2 . 1 1 53 53 LEU H H 53 7.876 7.876 8.047 -0.171 25600 679 1 2 . 1 1 54 54 SER N N 54 122.252 122.252 115.842 6.410 25600 680 1 2 . 1 1 54 54 SER HA H 54 4.959 4.959 5.000 -0.041 25600 681 1 2 . 1 1 54 54 SER CA C 54 54.724 54.724 57.132 -2.408 25600 682 1 2 . 1 1 54 54 SER CB C 54 64.417 64.417 66.127 -1.710 25600 683 1 2 . 1 1 54 54 SER H H 54 8.650 8.650 8.674 -0.024 25600 684 1 2 . 1 1 55 55 ILE N N 55 123.973 123.973 123.264 0.709 25600 685 1 2 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.513 0.388 25600 686 1 2 . 1 1 55 55 ILE CA C 55 58.868 58.868 60.273 -1.405 25600 687 1 2 . 1 1 55 55 ILE CB C 55 41.418 41.418 40.151 1.267 25600 688 1 2 . 1 1 55 55 ILE H H 55 9.081 9.081 8.592 0.489 25600 689 1 2 . 1 1 56 56 SER N N 56 119.540 119.540 123.209 -3.669 25600 690 1 2 . 1 1 56 56 SER HA H 56 4.387 4.387 4.109 0.278 25600 691 1 2 . 1 1 56 56 SER CA C 56 56.626 56.626 56.936 -0.310 25600 692 1 2 . 1 1 56 56 SER CB C 56 63.106 63.106 64.776 -1.670 25600 693 1 2 . 1 1 56 56 SER H H 56 7.905 7.905 8.098 -0.193 25600 694 1 2 . 1 1 57 57 ASN N N 57 124.207 124.207 122.539 1.668 25600 695 1 2 . 1 1 57 57 ASN HA H 57 5.019 5.019 4.936 0.083 25600 696 1 2 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.658 -1.189 25600 697 1 2 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.676 0.414 25600 698 1 2 . 1 1 57 57 ASN H H 57 8.945 8.945 8.302 0.643 25600 699 1 2 . 1 1 58 58 ALA N N 58 124.301 124.301 126.522 -2.221 25600 700 1 2 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.416 -0.283 25600 701 1 2 . 1 1 58 58 ALA CA C 58 51.287 51.287 53.150 -1.863 25600 702 1 2 . 1 1 58 58 ALA CB C 58 18.354 18.354 18.721 -0.367 25600 703 1 2 . 1 1 58 58 ALA H H 58 8.150 8.150 8.221 -0.071 25600 704 1 2 . 1 1 59 59 SER N N 59 113.299 113.299 115.137 -1.838 25600 705 1 2 . 1 1 59 59 SER HA H 59 4.698 4.698 4.229 0.469 25600 706 1 2 . 1 1 59 59 SER CA C 59 60.003 60.003 60.804 -0.801 25600 707 1 2 . 1 1 59 59 SER CB C 59 62.574 62.574 63.323 -0.749 25600 708 1 2 . 1 1 59 59 SER H H 59 8.377 8.377 8.319 0.058 25600 709 1 2 . 1 1 60 60 ASP N N 60 116.275 116.275 116.536 -0.261 25600 710 1 2 . 1 1 60 60 ASP HA H 60 4.661 4.661 4.751 -0.090 25600 711 1 2 . 1 1 60 60 ASP CA C 60 52.769 52.769 54.179 -1.410 25600 712 1 2 . 1 1 60 60 ASP CB C 60 39.712 39.712 42.190 -2.478 25600 713 1 2 . 1 1 60 60 ASP H H 60 8.311 8.311 8.262 0.049 25600 714 1 2 . 1 1 61 61 SER N N 61 112.650 112.650 112.323 0.327 25600 715 1 2 . 1 1 61 61 SER HA H 61 4.630 4.630 4.270 0.360 25600 716 1 2 . 1 1 61 61 SER CA C 61 56.180 56.180 59.168 -2.988 25600 717 1 2 . 1 1 61 61 SER CB C 61 61.843 61.843 61.632 0.211 25600 718 1 2 . 1 1 61 61 SER H H 61 7.588 7.588 8.020 -0.432 25600 719 1 2 . 1 1 62 62 HIS N N 62 119.790 119.790 120.774 -0.984 25600 720 1 2 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.425 -0.378 25600 721 1 2 . 1 1 62 62 HIS CA C 62 56.919 56.919 56.132 0.787 25600 722 1 2 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.705 -3.181 25600 723 1 2 . 1 1 62 62 HIS H H 62 8.029 8.029 7.658 0.371 25600 724 1 2 . 1 1 63 63 GLY N N 63 113.301 113.301 111.904 1.397 25600 725 1 2 . 1 1 63 63 GLY CA C 63 43.653 43.653 43.915 -0.262 25600 726 1 2 . 1 1 63 63 GLY H H 63 8.733 8.733 8.069 0.664 25600 727 1 2 . 1 1 64 64 LEU N N 64 120.664 120.664 125.636 -4.972 25600 728 1 2 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.456 -1.070 25600 729 1 2 . 1 1 64 64 LEU CA C 64 54.893 54.893 53.223 1.670 25600 730 1 2 . 1 1 64 64 LEU CB C 64 41.463 41.463 45.720 -4.257 25600 731 1 2 . 1 1 64 64 LEU H H 64 7.679 7.679 7.473 0.206 25600 732 1 2 . 1 1 65 65 ALA N N 65 108.346 108.346 124.466 -16.120 25600 733 1 2 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.851 0.551 25600 734 1 2 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.621 -1.355 25600 735 1 2 . 1 1 65 65 ALA CB C 65 21.555 21.555 21.770 -0.215 25600 736 1 2 . 1 1 65 65 ALA H H 65 9.874 9.874 8.949 0.925 25600 737 1 2 . 1 1 66 66 SER N N 66 115.951 115.951 120.400 -4.449 25600 738 1 2 . 1 1 66 66 SER HA H 66 4.909 4.909 5.161 -0.252 25600 739 1 2 . 1 1 66 66 SER CA C 66 56.645 56.645 57.152 -0.507 25600 740 1 2 . 1 1 66 66 SER CB C 66 63.823 63.823 65.176 -1.353 25600 741 1 2 . 1 1 66 66 SER H H 66 8.938 8.938 8.843 0.095 25600 742 1 2 . 1 1 67 67 THR N N 67 113.596 113.596 119.818 -6.222 25600 743 1 2 . 1 1 67 67 THR HA H 67 4.649 4.649 4.715 -0.066 25600 744 1 2 . 1 1 67 67 THR CA C 67 59.216 59.216 60.926 -1.710 25600 745 1 2 . 1 1 67 67 THR CB C 67 69.006 69.006 71.000 -1.994 25600 746 1 2 . 1 1 67 67 THR H H 67 8.258 8.258 8.590 -0.332 25600 747 1 2 . 1 1 68 68 LEU N N 68 124.151 124.151 125.906 -1.755 25600 748 1 2 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.656 -0.300 25600 749 1 2 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.205 0.907 25600 750 1 2 . 1 1 68 68 LEU CB C 68 42.915 42.915 41.882 1.033 25600 751 1 2 . 1 1 68 68 LEU H H 68 8.616 8.616 8.902 -0.286 25600 752 1 2 . 1 1 69 69 ASN N N 69 115.821 115.821 117.068 -1.247 25600 753 1 2 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.900 -0.256 25600 754 1 2 . 1 1 69 69 ASN CA C 69 51.456 51.456 52.089 -0.633 25600 755 1 2 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.064 2.242 25600 756 1 2 . 1 1 69 69 ASN H H 69 7.965 7.965 7.567 0.398 25600 757 1 2 . 1 1 70 70 GLN N N 70 114.564 114.564 115.773 -1.209 25600 758 1 2 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.646 -0.721 25600 759 1 2 . 1 1 70 70 GLN CA C 70 55.237 55.237 54.761 0.476 25600 760 1 2 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.262 0.744 25600 761 1 2 . 1 1 70 70 GLN H H 70 8.287 8.287 8.547 -0.260 25600 762 1 2 . 1 1 71 71 GLY N N 71 108.006 108.006 109.124 -1.118 25600 763 1 2 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.273 -1.587 25600 764 1 2 . 1 1 71 71 GLY H H 71 8.520 8.520 7.727 0.793 25600 765 1 2 . 1 1 72 72 ASN N N 72 117.785 117.785 118.890 -1.105 25600 766 1 2 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.110 0.363 25600 767 1 2 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.606 -0.915 25600 768 1 2 . 1 1 72 72 ASN CB C 72 39.896 39.896 40.762 -0.866 25600 769 1 2 . 1 1 72 72 ASN H H 72 8.420 8.420 8.395 0.025 25600 770 1 2 . 1 1 73 73 VAL N N 73 115.848 115.848 123.104 -7.256 25600 771 1 2 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.389 0.142 25600 772 1 2 . 1 1 73 73 VAL CA C 73 58.975 58.975 60.857 -1.882 25600 773 1 2 . 1 1 73 73 VAL CB C 73 35.179 35.179 34.983 0.195 25600 774 1 2 . 1 1 73 73 VAL H H 73 8.990 8.990 9.205 -0.215 25600 775 1 2 . 1 1 74 74 LYS N N 74 123.195 123.195 125.237 -2.042 25600 776 1 2 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.638 0.518 25600 777 1 2 . 1 1 74 74 LYS CA C 74 53.881 53.881 55.208 -1.327 25600 778 1 2 . 1 1 74 74 LYS CB C 74 33.597 33.597 34.009 -0.412 25600 779 1 2 . 1 1 74 74 LYS H H 74 8.715 8.715 8.589 0.126 25600 780 1 2 . 1 1 75 75 VAL N N 75 129.522 129.522 127.878 1.644 25600 781 1 2 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.927 -0.385 25600 782 1 2 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.035 -0.219 25600 783 1 2 . 1 1 75 75 VAL CB C 75 32.483 32.483 34.992 -2.509 25600 784 1 2 . 1 1 75 75 VAL H H 75 8.975 8.975 8.610 0.365 25600 785 1 2 . 1 1 76 76 THR N N 76 120.548 120.548 122.435 -1.887 25600 786 1 2 . 1 1 76 76 THR HA H 76 5.066 5.066 4.614 0.452 25600 787 1 2 . 1 1 76 76 THR CA C 76 59.783 59.783 61.114 -1.331 25600 788 1 2 . 1 1 76 76 THR CB C 76 70.733 70.733 71.129 -0.396 25600 789 1 2 . 1 1 76 76 THR H H 76 8.650 8.650 8.720 -0.071 25600 790 1 2 . 1 1 77 77 ALA N N 77 126.454 126.454 128.531 -2.077 25600 791 1 2 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.612 -1.232 25600 792 1 2 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.005 -1.575 25600 793 1 2 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.276 -1.732 25600 794 1 2 . 1 1 77 77 ALA H H 77 8.674 8.674 7.990 0.684 25600 795 1 2 . 1 1 78 78 SER N N 78 113.568 113.568 117.433 -3.865 25600 796 1 2 . 1 1 78 78 SER HA H 78 5.376 5.376 4.839 0.537 25600 797 1 2 . 1 1 78 78 SER CA C 78 56.077 56.077 57.203 -1.126 25600 798 1 2 . 1 1 78 78 SER CB C 78 65.730 65.730 66.058 -0.328 25600 799 1 2 . 1 1 78 78 SER H H 78 8.117 8.117 8.392 -0.275 25600 800 1 2 . 1 1 79 79 ILE N N 79 121.071 121.071 125.115 -4.044 25600 801 1 2 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.510 -0.369 25600 802 1 2 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.470 0.654 25600 803 1 2 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.768 -1.959 25600 804 1 2 . 1 1 79 79 ILE H H 79 8.446 8.446 8.040 0.406 25600 805 1 2 . 1 1 80 80 GLY N N 80 117.157 117.157 117.520 -0.363 25600 806 1 2 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.357 -0.351 25600 807 1 2 . 1 1 80 80 GLY H H 80 8.899 8.899 8.756 0.143 25600 808 1 2 . 1 1 81 81 GLY N N 81 110.716 110.716 110.914 -0.198 25600 809 1 2 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.779 -0.401 25600 810 1 2 . 1 1 81 81 GLY H H 81 8.742 8.742 8.164 0.578 25600 811 1 2 . 1 1 82 82 ILE N N 82 124.112 124.112 121.422 2.690 25600 812 1 2 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.297 -0.097 25600 813 1 2 . 1 1 82 82 ILE CA C 82 59.033 59.033 59.890 -0.857 25600 814 1 2 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.890 -2.113 25600 815 1 2 . 1 1 82 82 ILE H H 82 8.188 8.188 7.953 0.235 25600 816 1 2 . 1 1 83 83 GLN N N 83 122.453 122.453 121.453 1.000 25600 817 1 2 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.487 0.908 25600 818 1 2 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.292 -1.272 25600 819 1 2 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.755 -0.240 25600 820 1 2 . 1 1 83 83 GLN H H 83 8.423 8.423 8.116 0.307 25600 821 1 2 . 1 1 84 84 GLY N N 84 111.437 111.437 108.698 2.739 25600 822 1 2 . 1 1 84 84 GLY CA C 84 43.698 43.698 43.455 0.244 25600 823 1 2 . 1 1 84 84 GLY H H 84 8.931 8.931 8.971 -0.040 25600 824 1 2 . 1 1 85 85 SER N N 85 113.877 113.877 114.282 -0.405 25600 825 1 2 . 1 1 85 85 SER HA H 85 5.841 5.841 4.935 0.906 25600 826 1 2 . 1 1 85 85 SER CA C 85 56.264 56.264 57.282 -1.018 25600 827 1 2 . 1 1 85 85 SER CB C 85 66.946 66.946 66.396 0.550 25600 828 1 2 . 1 1 85 85 SER H H 85 8.710 8.710 8.186 0.524 25600 829 1 2 . 1 1 86 86 THR N N 86 115.389 115.389 115.015 0.374 25600 830 1 2 . 1 1 86 86 THR HA H 86 4.772 4.772 4.628 0.144 25600 831 1 2 . 1 1 86 86 THR CA C 86 60.313 60.313 61.579 -1.266 25600 832 1 2 . 1 1 86 86 THR CB C 86 69.953 69.953 71.725 -1.772 25600 833 1 2 . 1 1 86 86 THR H H 86 8.854 8.854 8.586 0.268 25600 834 1 2 . 1 1 87 87 ASP N N 87 124.623 124.623 124.352 0.271 25600 835 1 2 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.743 0.693 25600 836 1 2 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.038 0.758 25600 837 1 2 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.407 -0.397 25600 838 1 2 . 1 1 87 87 ASP H H 87 7.953 7.953 8.312 -0.359 25600 839 1 2 . 1 1 88 88 PHE N N 88 123.577 123.577 124.225 -0.648 25600 840 1 2 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.400 -0.469 25600 841 1 2 . 1 1 88 88 PHE CA C 88 56.968 56.968 55.624 1.344 25600 842 1 2 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.083 -0.199 25600 843 1 2 . 1 1 88 88 PHE H H 88 9.094 9.094 8.577 0.517 25600 844 1 2 . 1 1 89 89 LYS N N 89 126.965 126.965 124.469 2.496 25600 845 1 2 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.917 0.121 25600 846 1 2 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.213 -1.324 25600 847 1 2 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.129 -0.460 25600 848 1 2 . 1 1 89 89 LYS H H 89 7.269 7.269 8.433 -1.164 25600 849 1 2 . 1 1 90 90 VAL N N 90 126.148 126.148 124.490 1.658 25600 850 1 2 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.505 -0.494 25600 851 1 2 . 1 1 90 90 VAL CA C 90 59.547 59.547 58.781 0.767 25600 852 1 2 . 1 1 90 90 VAL CB C 90 30.948 30.948 32.411 -1.463 25600 853 1 2 . 1 1 90 90 VAL H H 90 9.086 9.086 8.485 0.601 25600 854 1 2 . 1 1 91 91 THR N N 91 120.506 120.506 116.598 3.908 25600 855 1 2 . 1 1 91 91 THR HA H 91 4.568 4.568 4.722 -0.154 25600 856 1 2 . 1 1 91 91 THR CA C 91 59.348 59.348 59.914 -0.566 25600 857 1 2 . 1 1 91 91 THR CB C 91 68.970 68.970 71.559 -2.589 25600 858 1 2 . 1 1 91 91 THR H H 91 8.757 8.757 7.916 0.841 25600 859 1 3 . 1 1 2 2 PRO HA H 2 4.277 4.277 4.565 -0.288 25600 860 1 3 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.968 -1.747 25600 861 1 3 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.225 -0.809 25600 862 1 3 . 1 1 3 3 ALA N N 3 123.804 123.804 125.707 -1.903 25600 863 1 3 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.676 -0.470 25600 864 1 3 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.192 0.203 25600 865 1 3 . 1 1 3 3 ALA CB C 3 18.840 18.840 19.553 -0.713 25600 866 1 3 . 1 1 3 3 ALA H H 3 8.647 8.647 8.237 0.410 25600 867 1 3 . 1 1 4 4 ALA N N 4 124.059 124.059 126.682 -2.623 25600 868 1 3 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.757 -0.048 25600 869 1 3 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.062 -0.040 25600 870 1 3 . 1 1 4 4 ALA CB C 4 19.897 19.897 21.302 -1.405 25600 871 1 3 . 1 1 4 4 ALA H H 4 8.239 8.239 8.368 -0.129 25600 872 1 3 . 1 1 5 5 LEU N N 5 124.019 124.019 120.964 3.055 25600 873 1 3 . 1 1 5 5 LEU HA H 5 3.372 3.372 3.752 -0.380 25600 874 1 3 . 1 1 5 5 LEU CA C 5 55.008 55.008 55.555 -0.547 25600 875 1 3 . 1 1 5 5 LEU CB C 5 41.242 41.242 41.580 -0.338 25600 876 1 3 . 1 1 5 5 LEU H H 5 8.560 8.560 8.402 0.158 25600 877 1 3 . 1 1 6 6 VAL N N 6 123.356 123.356 124.963 -1.607 25600 878 1 3 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.260 -0.163 25600 879 1 3 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.324 0.016 25600 880 1 3 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.647 -0.699 25600 881 1 3 . 1 1 6 6 VAL H H 6 9.119 9.119 8.046 1.073 25600 882 1 3 . 1 1 7 7 SER N N 7 112.134 112.134 112.536 -0.402 25600 883 1 3 . 1 1 7 7 SER HA H 7 4.445 4.445 4.733 -0.288 25600 884 1 3 . 1 1 7 7 SER CA C 7 56.349 56.349 57.226 -0.877 25600 885 1 3 . 1 1 7 7 SER CB C 7 64.361 64.361 66.293 -1.932 25600 886 1 3 . 1 1 7 7 SER H H 7 7.680 7.680 7.633 0.047 25600 887 1 3 . 1 1 8 8 ILE N N 8 118.674 118.674 115.806 2.868 25600 888 1 3 . 1 1 8 8 ILE HA H 8 4.673 4.673 4.842 -0.169 25600 889 1 3 . 1 1 8 8 ILE CA C 8 59.146 59.146 60.340 -1.194 25600 890 1 3 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.360 -0.686 25600 891 1 3 . 1 1 8 8 ILE H H 8 8.354 8.354 8.201 0.153 25600 892 1 3 . 1 1 9 9 SER N N 9 121.318 121.318 121.514 -0.196 25600 893 1 3 . 1 1 9 9 SER HA H 9 4.863 4.863 4.914 -0.051 25600 894 1 3 . 1 1 9 9 SER CA C 9 55.381 55.381 57.899 -2.518 25600 895 1 3 . 1 1 9 9 SER CB C 9 64.243 64.243 63.568 0.675 25600 896 1 3 . 1 1 9 9 SER H H 9 9.028 9.028 8.682 0.346 25600 897 1 3 . 1 1 10 10 VAL N N 10 127.509 127.509 120.718 6.791 25600 898 1 3 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.560 0.490 25600 899 1 3 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.540 0.372 25600 900 1 3 . 1 1 10 10 VAL CB C 10 33.387 33.387 34.194 -0.807 25600 901 1 3 . 1 1 10 10 VAL H H 10 8.911 8.911 8.232 0.679 25600 902 1 3 . 1 1 11 11 SER N N 11 121.861 121.861 122.413 -0.552 25600 903 1 3 . 1 1 11 11 SER CB C 11 64.373 64.373 63.355 1.018 25600 904 1 3 . 1 1 11 11 SER H H 11 9.205 9.205 8.568 0.637 25600 905 1 3 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.824 -0.120 25600 906 1 3 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.971 -2.072 25600 907 1 3 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.294 1.795 25600 908 1 3 . 1 1 13 13 THR N N 13 116.138 116.138 117.640 -1.502 25600 909 1 3 . 1 1 13 13 THR HA H 13 4.770 4.770 4.458 0.312 25600 910 1 3 . 1 1 13 13 THR CA C 13 60.153 60.153 60.678 -0.525 25600 911 1 3 . 1 1 13 13 THR CB C 13 69.426 69.426 70.409 -0.983 25600 912 1 3 . 1 1 13 13 THR H H 13 8.679 8.679 8.459 0.220 25600 913 1 3 . 1 1 14 14 ASN N N 14 124.457 124.457 124.539 -0.082 25600 914 1 3 . 1 1 14 14 ASN HA H 14 4.695 4.695 4.671 0.024 25600 915 1 3 . 1 1 14 14 ASN CA C 14 53.128 53.128 51.926 1.202 25600 916 1 3 . 1 1 14 14 ASN CB C 14 36.593 36.593 39.410 -2.817 25600 917 1 3 . 1 1 14 14 ASN H H 14 8.710 8.710 8.534 0.176 25600 918 1 3 . 1 1 15 15 SER N N 15 113.673 113.673 117.690 -4.017 25600 919 1 3 . 1 1 15 15 SER HA H 15 4.648 4.648 4.643 0.005 25600 920 1 3 . 1 1 15 15 SER CA C 15 55.644 55.644 57.332 -1.688 25600 921 1 3 . 1 1 15 15 SER CB C 15 63.953 63.953 65.211 -1.258 25600 922 1 3 . 1 1 15 15 SER H H 15 9.127 9.127 7.731 1.396 25600 923 1 3 . 1 1 16 16 THR N N 16 113.579 113.579 113.382 0.197 25600 924 1 3 . 1 1 16 16 THR HA H 16 4.976 4.976 5.202 -0.226 25600 925 1 3 . 1 1 16 16 THR CA C 16 58.445 58.445 60.484 -2.039 25600 926 1 3 . 1 1 16 16 THR CB C 16 70.534 70.534 70.324 0.210 25600 927 1 3 . 1 1 16 16 THR H H 16 7.962 7.962 8.253 -0.291 25600 928 1 3 . 1 1 17 17 VAL N N 17 121.479 121.479 118.464 3.015 25600 929 1 3 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.529 -0.209 25600 930 1 3 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.515 0.422 25600 931 1 3 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.671 -0.267 25600 932 1 3 . 1 1 17 17 VAL H H 17 7.969 7.969 8.908 -0.939 25600 933 1 3 . 1 1 18 18 ALA N N 18 126.014 126.014 124.699 1.315 25600 934 1 3 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.705 -0.530 25600 935 1 3 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.364 -0.401 25600 936 1 3 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.794 -0.872 25600 937 1 3 . 1 1 18 18 ALA H H 18 7.756 7.756 8.240 -0.484 25600 938 1 3 . 1 1 19 19 LYS N N 19 119.741 119.741 121.287 -1.546 25600 939 1 3 . 1 1 19 19 LYS HA H 19 3.487 3.487 3.897 -0.410 25600 940 1 3 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.577 0.195 25600 941 1 3 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.856 -1.254 25600 942 1 3 . 1 1 19 19 LYS H H 19 7.893 7.893 8.052 -0.159 25600 943 1 3 . 1 1 20 20 GLY N N 20 116.709 116.709 112.571 4.138 25600 944 1 3 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.426 -1.663 25600 945 1 3 . 1 1 20 20 GLY H H 20 8.615 8.615 8.761 -0.146 25600 946 1 3 . 1 1 21 21 LEU N N 21 123.004 123.004 120.861 2.143 25600 947 1 3 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.664 -0.076 25600 948 1 3 . 1 1 21 21 LEU CA C 21 53.365 53.365 53.358 0.007 25600 949 1 3 . 1 1 21 21 LEU CB C 21 40.962 40.962 45.831 -4.869 25600 950 1 3 . 1 1 21 21 LEU H H 21 8.013 8.013 7.807 0.206 25600 951 1 3 . 1 1 22 22 GLN N N 22 117.504 117.504 117.576 -0.072 25600 952 1 3 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.086 0.042 25600 953 1 3 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.123 -0.455 25600 954 1 3 . 1 1 22 22 GLN CB C 22 30.914 30.914 32.144 -1.230 25600 955 1 3 . 1 1 22 22 GLN H H 22 8.223 8.223 8.133 0.090 25600 956 1 3 . 1 1 23 23 GLU N N 23 118.125 118.125 120.036 -1.911 25600 957 1 3 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.647 -0.084 25600 958 1 3 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.294 -2.428 25600 959 1 3 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.716 -0.842 25600 960 1 3 . 1 1 23 23 GLU H H 23 8.188 8.188 8.513 -0.325 25600 961 1 3 . 1 1 24 24 ASN N N 24 125.841 125.841 123.977 1.864 25600 962 1 3 . 1 1 24 24 ASN HA H 24 4.778 4.778 4.851 -0.073 25600 963 1 3 . 1 1 24 24 ASN CA C 24 52.511 52.511 53.647 -1.136 25600 964 1 3 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.674 0.072 25600 965 1 3 . 1 1 24 24 ASN H H 24 9.391 9.391 8.722 0.669 25600 966 1 3 . 1 1 25 25 PHE N N 25 122.823 122.823 123.397 -0.574 25600 967 1 3 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.943 -0.292 25600 968 1 3 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.536 0.587 25600 969 1 3 . 1 1 25 25 PHE CB C 25 39.059 39.059 43.204 -4.145 25600 970 1 3 . 1 1 25 25 PHE H H 25 8.062 8.062 8.866 -0.804 25600 971 1 3 . 1 1 26 26 LYS N N 26 119.114 119.114 125.376 -6.262 25600 972 1 3 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.541 0.703 25600 973 1 3 . 1 1 26 26 LYS CA C 26 52.976 52.976 53.930 -0.954 25600 974 1 3 . 1 1 26 26 LYS CB C 26 34.661 34.661 35.213 -0.552 25600 975 1 3 . 1 1 26 26 LYS H H 26 9.255 9.255 8.308 0.947 25600 976 1 3 . 1 1 27 27 ALA N N 27 125.586 125.586 126.170 -0.584 25600 977 1 3 . 1 1 27 27 ALA HA H 27 5.262 5.262 4.455 0.807 25600 978 1 3 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.269 -2.452 25600 979 1 3 . 1 1 27 27 ALA CB C 27 21.160 21.160 21.253 -0.093 25600 980 1 3 . 1 1 27 27 ALA H H 27 9.120 9.120 8.422 0.698 25600 981 1 3 . 1 1 28 28 THR N N 28 120.627 120.627 121.373 -0.746 25600 982 1 3 . 1 1 28 28 THR HA H 28 4.837 4.837 4.696 0.141 25600 983 1 3 . 1 1 28 28 THR CA C 28 60.566 60.566 61.200 -0.634 25600 984 1 3 . 1 1 28 28 THR CB C 28 69.478 69.478 71.040 -1.562 25600 985 1 3 . 1 1 28 28 THR H H 28 9.062 9.062 8.159 0.903 25600 986 1 3 . 1 1 29 29 GLY N N 29 115.788 115.788 113.791 1.997 25600 987 1 3 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.844 0.472 25600 988 1 3 . 1 1 29 29 GLY H H 29 9.663 9.663 9.059 0.604 25600 989 1 3 . 1 1 30 30 ILE N N 30 123.085 123.085 124.329 -1.244 25600 990 1 3 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.635 0.143 25600 991 1 3 . 1 1 30 30 ILE CA C 30 59.388 59.388 60.186 -0.798 25600 992 1 3 . 1 1 30 30 ILE CB C 30 36.883 36.883 41.623 -4.740 25600 993 1 3 . 1 1 30 30 ILE H H 30 7.914 7.914 9.002 -1.088 25600 994 1 3 . 1 1 31 31 PHE N N 31 125.209 125.209 124.366 0.843 25600 995 1 3 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.235 0.135 25600 996 1 3 . 1 1 31 31 PHE CA C 31 56.487 56.487 56.199 0.288 25600 997 1 3 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.456 -1.303 25600 998 1 3 . 1 1 31 31 PHE H H 31 8.316 8.316 8.845 -0.529 25600 999 1 3 . 1 1 32 32 THR N N 32 113.843 113.843 117.361 -3.518 25600 1000 1 3 . 1 1 32 32 THR HA H 32 4.404 4.404 4.215 0.189 25600 1001 1 3 . 1 1 32 32 THR CA C 32 64.157 64.157 65.371 -1.214 25600 1002 1 3 . 1 1 32 32 THR CB C 32 68.540 68.540 68.659 -0.118 25600 1003 1 3 . 1 1 32 32 THR H H 32 9.335 9.335 9.008 0.327 25600 1004 1 3 . 1 1 33 33 ASP N N 33 118.800 118.800 120.448 -1.648 25600 1005 1 3 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.695 -0.074 25600 1006 1 3 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.295 -1.332 25600 1007 1 3 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.456 -1.962 25600 1008 1 3 . 1 1 33 33 ASP H H 33 7.689 7.689 8.127 -0.438 25600 1009 1 3 . 1 1 34 34 ASN N N 34 112.995 112.995 113.923 -0.928 25600 1010 1 3 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.372 -0.024 25600 1011 1 3 . 1 1 34 34 ASN CA C 34 54.346 54.346 55.004 -0.658 25600 1012 1 3 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.331 0.159 25600 1013 1 3 . 1 1 34 34 ASN H H 34 8.370 8.370 7.985 0.385 25600 1014 1 3 . 1 1 35 35 SER N N 35 115.545 115.545 114.763 0.782 25600 1015 1 3 . 1 1 35 35 SER HA H 35 4.413 4.413 4.639 -0.226 25600 1016 1 3 . 1 1 35 35 SER CA C 35 57.882 57.882 57.514 0.368 25600 1017 1 3 . 1 1 35 35 SER CB C 35 63.770 63.770 63.242 0.528 25600 1018 1 3 . 1 1 35 35 SER H H 35 7.990 7.990 8.087 -0.097 25600 1019 1 3 . 1 1 36 36 ASN N N 36 116.053 116.053 123.454 -7.401 25600 1020 1 3 . 1 1 36 36 ASN HA H 36 2.890 2.890 5.063 -2.173 25600 1021 1 3 . 1 1 36 36 ASN CA C 36 50.674 50.674 53.247 -2.573 25600 1022 1 3 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.048 1.751 25600 1023 1 3 . 1 1 36 36 ASN H H 36 8.518 8.518 8.380 0.138 25600 1024 1 3 . 1 1 37 37 SER N N 37 113.191 113.191 115.797 -2.606 25600 1025 1 3 . 1 1 37 37 SER HA H 37 4.715 4.715 4.763 -0.048 25600 1026 1 3 . 1 1 37 37 SER CA C 37 56.801 56.801 57.084 -0.283 25600 1027 1 3 . 1 1 37 37 SER CB C 37 64.872 64.872 65.851 -0.979 25600 1028 1 3 . 1 1 37 37 SER H H 37 8.667 8.667 8.642 0.025 25600 1029 1 3 . 1 1 38 38 ASP N N 38 123.962 123.962 120.558 3.404 25600 1030 1 3 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.656 0.331 25600 1031 1 3 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.682 0.519 25600 1032 1 3 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.742 -1.813 25600 1033 1 3 . 1 1 38 38 ASP H H 38 8.848 8.848 8.457 0.391 25600 1034 1 3 . 1 1 39 39 ILE N N 39 121.216 121.216 122.653 -1.437 25600 1035 1 3 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.666 1.205 25600 1036 1 3 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.194 -2.487 25600 1037 1 3 . 1 1 39 39 ILE CB C 39 37.086 37.086 37.441 -0.355 25600 1038 1 3 . 1 1 39 39 ILE H H 39 8.815 8.815 8.352 0.463 25600 1039 1 3 . 1 1 40 40 THR N N 40 122.867 122.867 114.567 8.300 25600 1040 1 3 . 1 1 40 40 THR HA H 40 4.288 4.288 4.134 0.154 25600 1041 1 3 . 1 1 40 40 THR CB C 40 68.527 68.527 68.983 -0.456 25600 1042 1 3 . 1 1 40 40 THR H H 40 8.679 8.679 8.042 0.637 25600 1043 1 3 . 1 1 41 41 ASP N N 41 114.081 114.081 118.905 -4.824 25600 1044 1 3 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.774 -1.076 25600 1045 1 3 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.244 -0.766 25600 1046 1 3 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.733 -2.015 25600 1047 1 3 . 1 1 41 41 ASP H H 41 8.539 8.539 8.518 0.021 25600 1048 1 3 . 1 1 42 42 GLN N N 42 117.087 117.087 116.704 0.383 25600 1049 1 3 . 1 1 42 42 GLN HA H 42 4.151 4.151 3.953 0.198 25600 1050 1 3 . 1 1 42 42 GLN CA C 42 55.536 55.536 55.838 -0.302 25600 1051 1 3 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.093 3.123 25600 1052 1 3 . 1 1 42 42 GLN H H 42 7.718 7.718 7.229 0.489 25600 1053 1 3 . 1 1 43 43 VAL N N 43 109.916 109.916 122.175 -12.259 25600 1054 1 3 . 1 1 43 43 VAL HA H 43 4.089 4.089 4.070 0.019 25600 1055 1 3 . 1 1 43 43 VAL CA C 43 58.840 58.840 62.032 -3.192 25600 1056 1 3 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.606 -1.333 25600 1057 1 3 . 1 1 43 43 VAL H H 43 6.902 6.902 7.963 -1.061 25600 1058 1 3 . 1 1 44 44 THR N N 44 116.272 116.272 125.767 -9.495 25600 1059 1 3 . 1 1 44 44 THR HA H 44 4.315 4.315 4.271 0.044 25600 1060 1 3 . 1 1 44 44 THR CA C 44 61.651 61.651 62.413 -0.763 25600 1061 1 3 . 1 1 44 44 THR CB C 44 68.890 68.890 69.409 -0.519 25600 1062 1 3 . 1 1 44 44 THR H H 44 8.787 8.787 8.571 0.216 25600 1063 1 3 . 1 1 45 45 TRP N N 45 132.098 132.098 126.511 5.587 25600 1064 1 3 . 1 1 45 45 TRP HA H 45 5.245 5.245 4.811 0.434 25600 1065 1 3 . 1 1 45 45 TRP CA C 45 55.387 55.387 56.110 -0.723 25600 1066 1 3 . 1 1 45 45 TRP CB C 45 30.077 30.077 30.866 -0.789 25600 1067 1 3 . 1 1 45 45 TRP H H 45 10.351 10.351 8.488 1.863 25600 1068 1 3 . 1 1 46 46 ASP N N 46 121.897 121.897 122.708 -0.811 25600 1069 1 3 . 1 1 46 46 ASP HA H 46 4.857 4.857 5.022 -0.165 25600 1070 1 3 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.682 -0.885 25600 1071 1 3 . 1 1 46 46 ASP CB C 46 45.075 45.075 44.864 0.211 25600 1072 1 3 . 1 1 46 46 ASP H H 46 9.471 9.471 8.912 0.559 25600 1073 1 3 . 1 1 47 47 SER N N 47 113.805 113.805 118.770 -4.965 25600 1074 1 3 . 1 1 47 47 SER HA H 47 5.043 5.043 5.304 -0.261 25600 1075 1 3 . 1 1 47 47 SER CA C 47 53.059 53.059 57.309 -4.250 25600 1076 1 3 . 1 1 47 47 SER CB C 47 64.880 64.880 66.063 -1.183 25600 1077 1 3 . 1 1 47 47 SER H H 47 8.502 8.502 8.520 -0.018 25600 1078 1 3 . 1 1 48 48 SER N N 48 119.614 119.614 119.177 0.437 25600 1079 1 3 . 1 1 48 48 SER HA H 48 4.264 4.264 4.197 0.067 25600 1080 1 3 . 1 1 48 48 SER CA C 48 59.404 59.404 59.964 -0.560 25600 1081 1 3 . 1 1 48 48 SER CB C 48 62.026 62.026 63.670 -1.644 25600 1082 1 3 . 1 1 48 48 SER H H 48 8.517 8.517 8.741 -0.224 25600 1083 1 3 . 1 1 49 49 ASN N N 49 118.260 118.260 116.047 2.213 25600 1084 1 3 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.634 0.264 25600 1085 1 3 . 1 1 49 49 ASN CA C 49 52.841 52.841 53.459 -0.618 25600 1086 1 3 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.697 -0.977 25600 1087 1 3 . 1 1 49 49 ASN H H 49 7.816 7.816 8.157 -0.341 25600 1088 1 3 . 1 1 50 50 THR N N 50 119.288 119.288 113.728 5.560 25600 1089 1 3 . 1 1 50 50 THR HA H 50 4.541 4.541 4.413 0.128 25600 1090 1 3 . 1 1 50 50 THR CA C 50 62.137 62.137 62.608 -0.471 25600 1091 1 3 . 1 1 50 50 THR CB C 50 67.100 67.100 70.053 -2.954 25600 1092 1 3 . 1 1 50 50 THR H H 50 9.049 9.049 7.997 1.052 25600 1093 1 3 . 1 1 51 51 ASP N N 51 118.825 118.825 120.690 -1.865 25600 1094 1 3 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.643 -0.057 25600 1095 1 3 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.782 -0.092 25600 1096 1 3 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.219 -2.561 25600 1097 1 3 . 1 1 51 51 ASP H H 51 8.251 8.251 8.291 -0.040 25600 1098 1 3 . 1 1 52 52 ILE N N 52 118.411 118.411 120.781 -2.370 25600 1099 1 3 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.333 -0.408 25600 1100 1 3 . 1 1 52 52 ILE CA C 52 61.681 61.681 60.865 0.816 25600 1101 1 3 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.053 -0.157 25600 1102 1 3 . 1 1 52 52 ILE H H 52 7.169 7.169 7.958 -0.789 25600 1103 1 3 . 1 1 53 53 LEU N N 53 120.126 120.126 123.024 -2.898 25600 1104 1 3 . 1 1 53 53 LEU HA H 53 5.021 5.021 4.871 0.150 25600 1105 1 3 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.981 -0.700 25600 1106 1 3 . 1 1 53 53 LEU CB C 53 46.405 46.405 44.484 1.921 25600 1107 1 3 . 1 1 53 53 LEU H H 53 7.876 7.876 8.163 -0.287 25600 1108 1 3 . 1 1 54 54 SER N N 54 122.252 122.252 115.905 6.347 25600 1109 1 3 . 1 1 54 54 SER HA H 54 4.959 4.959 4.877 0.082 25600 1110 1 3 . 1 1 54 54 SER CA C 54 54.724 54.724 57.258 -2.534 25600 1111 1 3 . 1 1 54 54 SER CB C 54 64.417 64.417 66.544 -2.127 25600 1112 1 3 . 1 1 54 54 SER H H 54 8.650 8.650 8.543 0.107 25600 1113 1 3 . 1 1 55 55 ILE N N 55 123.973 123.973 121.402 2.571 25600 1114 1 3 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.656 0.245 25600 1115 1 3 . 1 1 55 55 ILE CA C 55 58.868 58.868 59.833 -0.965 25600 1116 1 3 . 1 1 55 55 ILE CB C 55 41.418 41.418 40.045 1.373 25600 1117 1 3 . 1 1 55 55 ILE H H 55 9.081 9.081 8.316 0.765 25600 1118 1 3 . 1 1 56 56 SER N N 56 119.540 119.540 123.005 -3.465 25600 1119 1 3 . 1 1 56 56 SER HA H 56 4.387 4.387 4.736 -0.349 25600 1120 1 3 . 1 1 56 56 SER CA C 56 56.626 56.626 57.353 -0.727 25600 1121 1 3 . 1 1 56 56 SER CB C 56 63.106 63.106 64.361 -1.254 25600 1122 1 3 . 1 1 56 56 SER H H 56 7.905 7.905 8.129 -0.224 25600 1123 1 3 . 1 1 57 57 ASN N N 57 124.207 124.207 122.826 1.381 25600 1124 1 3 . 1 1 57 57 ASN HA H 57 5.019 5.019 4.837 0.182 25600 1125 1 3 . 1 1 57 57 ASN CA C 57 52.469 52.469 51.169 1.300 25600 1126 1 3 . 1 1 57 57 ASN CB C 57 40.090 40.090 38.451 1.639 25600 1127 1 3 . 1 1 57 57 ASN H H 57 8.945 8.945 8.652 0.293 25600 1128 1 3 . 1 1 58 58 ALA N N 58 124.301 124.301 125.498 -1.197 25600 1129 1 3 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.360 -0.227 25600 1130 1 3 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.691 -1.404 25600 1131 1 3 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.573 -1.219 25600 1132 1 3 . 1 1 58 58 ALA H H 58 8.150 8.150 8.023 0.127 25600 1133 1 3 . 1 1 59 59 SER N N 59 113.299 113.299 116.353 -3.054 25600 1134 1 3 . 1 1 59 59 SER HA H 59 4.698 4.698 4.173 0.525 25600 1135 1 3 . 1 1 59 59 SER CA C 59 60.003 60.003 60.373 -0.370 25600 1136 1 3 . 1 1 59 59 SER CB C 59 62.574 62.574 63.454 -0.880 25600 1137 1 3 . 1 1 59 59 SER H H 59 8.377 8.377 8.511 -0.134 25600 1138 1 3 . 1 1 60 60 ASP N N 60 116.275 116.275 121.222 -4.947 25600 1139 1 3 . 1 1 60 60 ASP HA H 60 4.661 4.661 4.524 0.137 25600 1140 1 3 . 1 1 60 60 ASP CA C 60 52.769 52.769 56.139 -3.370 25600 1141 1 3 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.075 -1.363 25600 1142 1 3 . 1 1 60 60 ASP H H 60 8.311 8.311 8.417 -0.106 25600 1143 1 3 . 1 1 61 61 SER N N 61 112.650 112.650 107.793 4.857 25600 1144 1 3 . 1 1 61 61 SER HA H 61 4.630 4.630 4.464 0.166 25600 1145 1 3 . 1 1 61 61 SER CA C 61 56.180 56.180 58.574 -2.394 25600 1146 1 3 . 1 1 61 61 SER CB C 61 61.843 61.843 64.084 -2.241 25600 1147 1 3 . 1 1 61 61 SER H H 61 7.588 7.588 7.891 -0.303 25600 1148 1 3 . 1 1 62 62 HIS N N 62 119.790 119.790 124.872 -5.082 25600 1149 1 3 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.388 -0.341 25600 1150 1 3 . 1 1 62 62 HIS CA C 62 56.919 56.919 58.926 -2.007 25600 1151 1 3 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.345 -2.821 25600 1152 1 3 . 1 1 62 62 HIS H H 62 8.029 8.029 7.710 0.319 25600 1153 1 3 . 1 1 63 63 GLY N N 63 113.301 113.301 107.408 5.893 25600 1154 1 3 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.449 -0.796 25600 1155 1 3 . 1 1 63 63 GLY H H 63 8.733 8.733 8.266 0.467 25600 1156 1 3 . 1 1 64 64 LEU N N 64 120.664 120.664 119.846 0.818 25600 1157 1 3 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.287 -0.901 25600 1158 1 3 . 1 1 64 64 LEU CA C 64 54.893 54.893 53.079 1.814 25600 1159 1 3 . 1 1 64 64 LEU CB C 64 41.463 41.463 46.167 -4.704 25600 1160 1 3 . 1 1 64 64 LEU H H 64 7.679 7.679 7.859 -0.180 25600 1161 1 3 . 1 1 65 65 ALA N N 65 108.346 108.346 120.148 -11.802 25600 1162 1 3 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.710 0.692 25600 1163 1 3 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.765 -1.498 25600 1164 1 3 . 1 1 65 65 ALA CB C 65 21.555 21.555 21.504 0.051 25600 1165 1 3 . 1 1 65 65 ALA H H 65 9.874 9.874 8.419 1.455 25600 1166 1 3 . 1 1 66 66 SER N N 66 115.951 115.951 118.912 -2.961 25600 1167 1 3 . 1 1 66 66 SER HA H 66 4.909 4.909 5.495 -0.586 25600 1168 1 3 . 1 1 66 66 SER CA C 66 56.645 56.645 56.459 0.187 25600 1169 1 3 . 1 1 66 66 SER CB C 66 63.823 63.823 65.987 -2.164 25600 1170 1 3 . 1 1 66 66 SER H H 66 8.938 8.938 8.817 0.121 25600 1171 1 3 . 1 1 67 67 THR N N 67 113.596 113.596 118.319 -4.723 25600 1172 1 3 . 1 1 67 67 THR HA H 67 4.649 4.649 4.686 -0.037 25600 1173 1 3 . 1 1 67 67 THR CA C 67 59.216 59.216 61.001 -1.784 25600 1174 1 3 . 1 1 67 67 THR CB C 67 69.006 69.006 70.536 -1.530 25600 1175 1 3 . 1 1 67 67 THR H H 67 8.258 8.258 9.004 -0.746 25600 1176 1 3 . 1 1 68 68 LEU N N 68 124.151 124.151 119.608 4.543 25600 1177 1 3 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.522 -0.166 25600 1178 1 3 . 1 1 68 68 LEU CA C 68 55.112 55.112 55.132 -0.020 25600 1179 1 3 . 1 1 68 68 LEU CB C 68 42.915 42.915 43.806 -0.891 25600 1180 1 3 . 1 1 68 68 LEU H H 68 8.616 8.616 8.134 0.482 25600 1181 1 3 . 1 1 69 69 ASN N N 69 115.821 115.821 116.852 -1.031 25600 1182 1 3 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.951 -0.307 25600 1183 1 3 . 1 1 69 69 ASN CA C 69 51.456 51.456 52.643 -1.187 25600 1184 1 3 . 1 1 69 69 ASN CB C 69 42.306 42.306 41.345 0.961 25600 1185 1 3 . 1 1 69 69 ASN H H 69 7.965 7.965 7.805 0.160 25600 1186 1 3 . 1 1 70 70 GLN N N 70 114.564 114.564 119.254 -4.690 25600 1187 1 3 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.653 -0.728 25600 1188 1 3 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.217 0.020 25600 1189 1 3 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.226 0.780 25600 1190 1 3 . 1 1 70 70 GLN H H 70 8.287 8.287 8.557 -0.270 25600 1191 1 3 . 1 1 71 71 GLY N N 71 108.006 108.006 108.219 -0.213 25600 1192 1 3 . 1 1 71 71 GLY CA C 71 43.686 43.686 43.548 0.138 25600 1193 1 3 . 1 1 71 71 GLY H H 71 8.520 8.520 7.508 1.012 25600 1194 1 3 . 1 1 72 72 ASN N N 72 117.785 117.785 118.793 -1.008 25600 1195 1 3 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.098 0.375 25600 1196 1 3 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.739 -1.048 25600 1197 1 3 . 1 1 72 72 ASN CB C 72 39.896 39.896 40.235 -0.339 25600 1198 1 3 . 1 1 72 72 ASN H H 72 8.420 8.420 8.395 0.025 25600 1199 1 3 . 1 1 73 73 VAL N N 73 115.848 115.848 122.895 -7.047 25600 1200 1 3 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.316 0.215 25600 1201 1 3 . 1 1 73 73 VAL CA C 73 58.975 58.975 60.153 -1.178 25600 1202 1 3 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.600 -0.421 25600 1203 1 3 . 1 1 73 73 VAL H H 73 8.990 8.990 9.104 -0.114 25600 1204 1 3 . 1 1 74 74 LYS N N 74 123.195 123.195 125.045 -1.850 25600 1205 1 3 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.788 0.368 25600 1206 1 3 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.364 -0.483 25600 1207 1 3 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.221 0.376 25600 1208 1 3 . 1 1 74 74 LYS H H 74 8.715 8.715 8.627 0.088 25600 1209 1 3 . 1 1 75 75 VAL N N 75 129.522 129.522 127.406 2.116 25600 1210 1 3 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.341 0.201 25600 1211 1 3 . 1 1 75 75 VAL CA C 75 60.816 60.816 62.203 -1.387 25600 1212 1 3 . 1 1 75 75 VAL CB C 75 32.483 32.483 31.660 0.823 25600 1213 1 3 . 1 1 75 75 VAL H H 75 8.975 8.975 8.385 0.590 25600 1214 1 3 . 1 1 76 76 THR N N 76 120.548 120.548 124.261 -3.713 25600 1215 1 3 . 1 1 76 76 THR HA H 76 5.066 5.066 4.611 0.455 25600 1216 1 3 . 1 1 76 76 THR CA C 76 59.783 59.783 61.229 -1.446 25600 1217 1 3 . 1 1 76 76 THR CB C 76 70.733 70.733 71.651 -0.918 25600 1218 1 3 . 1 1 76 76 THR H H 76 8.650 8.650 9.203 -0.553 25600 1219 1 3 . 1 1 77 77 ALA N N 77 126.454 126.454 127.013 -0.559 25600 1220 1 3 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.470 -1.090 25600 1221 1 3 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.398 -1.968 25600 1222 1 3 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.933 -2.389 25600 1223 1 3 . 1 1 77 77 ALA H H 77 8.674 8.674 8.153 0.521 25600 1224 1 3 . 1 1 78 78 SER N N 78 113.568 113.568 115.424 -1.856 25600 1225 1 3 . 1 1 78 78 SER HA H 78 5.376 5.376 4.886 0.490 25600 1226 1 3 . 1 1 78 78 SER CA C 78 56.077 56.077 56.688 -0.611 25600 1227 1 3 . 1 1 78 78 SER CB C 78 65.730 65.730 65.332 0.398 25600 1228 1 3 . 1 1 78 78 SER H H 78 8.117 8.117 8.174 -0.057 25600 1229 1 3 . 1 1 79 79 ILE N N 79 121.071 121.071 126.184 -5.113 25600 1230 1 3 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.323 -0.182 25600 1231 1 3 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.258 0.866 25600 1232 1 3 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.566 -1.757 25600 1233 1 3 . 1 1 79 79 ILE H H 79 8.446 8.446 7.685 0.761 25600 1234 1 3 . 1 1 80 80 GLY N N 80 117.157 117.157 117.202 -0.045 25600 1235 1 3 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.626 -0.619 25600 1236 1 3 . 1 1 80 80 GLY H H 80 8.899 8.899 8.941 -0.042 25600 1237 1 3 . 1 1 81 81 GLY N N 81 110.716 110.716 110.060 0.656 25600 1238 1 3 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.709 -0.331 25600 1239 1 3 . 1 1 81 81 GLY H H 81 8.742 8.742 8.038 0.704 25600 1240 1 3 . 1 1 82 82 ILE N N 82 124.112 124.112 121.597 2.515 25600 1241 1 3 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.229 -0.029 25600 1242 1 3 . 1 1 82 82 ILE CA C 82 59.033 59.033 60.243 -1.210 25600 1243 1 3 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.340 -1.563 25600 1244 1 3 . 1 1 82 82 ILE H H 82 8.188 8.188 7.949 0.239 25600 1245 1 3 . 1 1 83 83 GLN N N 83 122.453 122.453 121.906 0.547 25600 1246 1 3 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.535 0.860 25600 1247 1 3 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.315 -1.295 25600 1248 1 3 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.736 -0.221 25600 1249 1 3 . 1 1 83 83 GLN H H 83 8.423 8.423 8.203 0.220 25600 1250 1 3 . 1 1 84 84 GLY N N 84 111.437 111.437 108.877 2.560 25600 1251 1 3 . 1 1 84 84 GLY CA C 84 43.698 43.698 43.584 0.114 25600 1252 1 3 . 1 1 84 84 GLY H H 84 8.931 8.931 8.377 0.554 25600 1253 1 3 . 1 1 85 85 SER N N 85 113.877 113.877 114.298 -0.421 25600 1254 1 3 . 1 1 85 85 SER HA H 85 5.841 5.841 4.919 0.922 25600 1255 1 3 . 1 1 85 85 SER CA C 85 56.264 56.264 57.379 -1.115 25600 1256 1 3 . 1 1 85 85 SER CB C 85 66.946 66.946 66.626 0.320 25600 1257 1 3 . 1 1 85 85 SER H H 85 8.710 8.710 8.255 0.455 25600 1258 1 3 . 1 1 86 86 THR N N 86 115.389 115.389 117.570 -2.181 25600 1259 1 3 . 1 1 86 86 THR HA H 86 4.772 4.772 4.510 0.262 25600 1260 1 3 . 1 1 86 86 THR CA C 86 60.313 60.313 61.200 -0.887 25600 1261 1 3 . 1 1 86 86 THR CB C 86 69.953 69.953 71.917 -1.964 25600 1262 1 3 . 1 1 86 86 THR H H 86 8.854 8.854 8.949 -0.095 25600 1263 1 3 . 1 1 87 87 ASP N N 87 124.623 124.623 122.289 2.334 25600 1264 1 3 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.764 0.672 25600 1265 1 3 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.282 0.514 25600 1266 1 3 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.619 -0.609 25600 1267 1 3 . 1 1 87 87 ASP H H 87 7.953 7.953 8.252 -0.299 25600 1268 1 3 . 1 1 88 88 PHE N N 88 123.577 123.577 123.709 -0.132 25600 1269 1 3 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.314 -0.383 25600 1270 1 3 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.548 0.420 25600 1271 1 3 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.752 -0.868 25600 1272 1 3 . 1 1 88 88 PHE H H 88 9.094 9.094 9.216 -0.122 25600 1273 1 3 . 1 1 89 89 LYS N N 89 126.965 126.965 124.143 2.822 25600 1274 1 3 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.828 0.210 25600 1275 1 3 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.363 -1.474 25600 1276 1 3 . 1 1 89 89 LYS CB C 89 34.669 34.669 34.763 -0.094 25600 1277 1 3 . 1 1 89 89 LYS H H 89 7.269 7.269 8.518 -1.249 25600 1278 1 3 . 1 1 90 90 VAL N N 90 126.148 126.148 129.497 -3.349 25600 1279 1 3 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.250 -0.239 25600 1280 1 3 . 1 1 90 90 VAL CA C 90 59.547 59.547 60.862 -1.315 25600 1281 1 3 . 1 1 90 90 VAL CB C 90 30.948 30.948 32.904 -1.956 25600 1282 1 3 . 1 1 90 90 VAL H H 90 9.086 9.086 8.658 0.428 25600 1283 1 3 . 1 1 91 91 THR N N 91 120.506 120.506 119.402 1.104 25600 1284 1 3 . 1 1 91 91 THR HA H 91 4.568 4.568 4.678 -0.110 25600 1285 1 3 . 1 1 91 91 THR CA C 91 59.348 59.348 59.566 -0.218 25600 1286 1 3 . 1 1 91 91 THR CB C 91 68.970 68.970 71.904 -2.934 25600 1287 1 3 . 1 1 91 91 THR H H 91 8.757 8.757 8.580 0.177 25600 1288 1 4 . 1 1 2 2 PRO HA H 2 4.277 4.277 4.523 -0.246 25600 1289 1 4 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.863 -1.642 25600 1290 1 4 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.402 -0.986 25600 1291 1 4 . 1 1 3 3 ALA N N 3 123.804 123.804 123.088 0.716 25600 1292 1 4 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.333 -0.127 25600 1293 1 4 . 1 1 3 3 ALA CA C 3 51.395 51.395 52.139 -0.744 25600 1294 1 4 . 1 1 3 3 ALA CB C 3 18.840 18.840 20.478 -1.638 25600 1295 1 4 . 1 1 3 3 ALA H H 3 8.647 8.647 8.020 0.627 25600 1296 1 4 . 1 1 4 4 ALA N N 4 124.059 124.059 125.588 -1.529 25600 1297 1 4 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.717 -0.008 25600 1298 1 4 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.275 -0.253 25600 1299 1 4 . 1 1 4 4 ALA CB C 4 19.897 19.897 21.030 -1.133 25600 1300 1 4 . 1 1 4 4 ALA H H 4 8.239 8.239 8.222 0.017 25600 1301 1 4 . 1 1 5 5 LEU N N 5 124.019 124.019 122.275 1.744 25600 1302 1 4 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.454 -1.082 25600 1303 1 4 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.733 -1.725 25600 1304 1 4 . 1 1 5 5 LEU CB C 5 41.242 41.242 41.944 -0.702 25600 1305 1 4 . 1 1 5 5 LEU H H 5 8.560 8.560 8.838 -0.278 25600 1306 1 4 . 1 1 6 6 VAL N N 6 123.356 123.356 123.397 -0.041 25600 1307 1 4 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.355 -0.258 25600 1308 1 4 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.385 -0.045 25600 1309 1 4 . 1 1 6 6 VAL CB C 6 32.948 32.948 34.148 -1.200 25600 1310 1 4 . 1 1 6 6 VAL H H 6 9.119 9.119 8.521 0.598 25600 1311 1 4 . 1 1 7 7 SER N N 7 112.134 112.134 113.290 -1.156 25600 1312 1 4 . 1 1 7 7 SER HA H 7 4.445 4.445 4.748 -0.303 25600 1313 1 4 . 1 1 7 7 SER CA C 7 56.349 56.349 57.113 -0.764 25600 1314 1 4 . 1 1 7 7 SER CB C 7 64.361 64.361 65.886 -1.525 25600 1315 1 4 . 1 1 7 7 SER H H 7 7.680 7.680 7.678 0.001 25600 1316 1 4 . 1 1 8 8 ILE N N 8 118.674 118.674 115.985 2.689 25600 1317 1 4 . 1 1 8 8 ILE HA H 8 4.673 4.673 4.965 -0.292 25600 1318 1 4 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.981 -0.835 25600 1319 1 4 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.490 -0.816 25600 1320 1 4 . 1 1 8 8 ILE H H 8 8.354 8.354 8.104 0.250 25600 1321 1 4 . 1 1 9 9 SER N N 9 121.318 121.318 120.246 1.072 25600 1322 1 4 . 1 1 9 9 SER HA H 9 4.863 4.863 4.873 -0.010 25600 1323 1 4 . 1 1 9 9 SER CA C 9 55.381 55.381 57.655 -2.274 25600 1324 1 4 . 1 1 9 9 SER CB C 9 64.243 64.243 63.750 0.493 25600 1325 1 4 . 1 1 9 9 SER H H 9 9.028 9.028 8.672 0.356 25600 1326 1 4 . 1 1 10 10 VAL N N 10 127.509 127.509 120.610 6.899 25600 1327 1 4 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.556 0.494 25600 1328 1 4 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.033 0.879 25600 1329 1 4 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.746 -0.359 25600 1330 1 4 . 1 1 10 10 VAL H H 10 8.911 8.911 8.391 0.520 25600 1331 1 4 . 1 1 11 11 SER N N 11 121.861 121.861 122.195 -0.334 25600 1332 1 4 . 1 1 11 11 SER CB C 11 64.373 64.373 63.686 0.687 25600 1333 1 4 . 1 1 11 11 SER H H 11 9.205 9.205 8.438 0.767 25600 1334 1 4 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.914 -0.210 25600 1335 1 4 . 1 1 12 12 PRO CA C 12 60.899 60.899 63.050 -2.151 25600 1336 1 4 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.187 1.902 25600 1337 1 4 . 1 1 13 13 THR N N 13 116.138 116.138 116.801 -0.663 25600 1338 1 4 . 1 1 13 13 THR HA H 13 4.770 4.770 4.577 0.193 25600 1339 1 4 . 1 1 13 13 THR CA C 13 60.153 60.153 60.897 -0.744 25600 1340 1 4 . 1 1 13 13 THR CB C 13 69.426 69.426 69.864 -0.438 25600 1341 1 4 . 1 1 13 13 THR H H 13 8.679 8.679 8.563 0.116 25600 1342 1 4 . 1 1 14 14 ASN N N 14 124.457 124.457 124.890 -0.433 25600 1343 1 4 . 1 1 14 14 ASN HA H 14 4.695 4.695 5.247 -0.552 25600 1344 1 4 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.340 0.788 25600 1345 1 4 . 1 1 14 14 ASN CB C 14 36.593 36.593 39.467 -2.874 25600 1346 1 4 . 1 1 14 14 ASN H H 14 8.710 8.710 8.664 0.046 25600 1347 1 4 . 1 1 15 15 SER N N 15 113.673 113.673 118.003 -4.330 25600 1348 1 4 . 1 1 15 15 SER HA H 15 4.648 4.648 4.704 -0.056 25600 1349 1 4 . 1 1 15 15 SER CA C 15 55.644 55.644 57.621 -1.977 25600 1350 1 4 . 1 1 15 15 SER CB C 15 63.953 63.953 64.528 -0.575 25600 1351 1 4 . 1 1 15 15 SER H H 15 9.127 9.127 8.294 0.833 25600 1352 1 4 . 1 1 16 16 THR N N 16 113.579 113.579 113.142 0.437 25600 1353 1 4 . 1 1 16 16 THR HA H 16 4.976 4.976 5.393 -0.417 25600 1354 1 4 . 1 1 16 16 THR CA C 16 58.445 58.445 60.507 -2.062 25600 1355 1 4 . 1 1 16 16 THR CB C 16 70.534 70.534 70.859 -0.325 25600 1356 1 4 . 1 1 16 16 THR H H 16 7.962 7.962 8.343 -0.381 25600 1357 1 4 . 1 1 17 17 VAL N N 17 121.479 121.479 117.447 4.032 25600 1358 1 4 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.599 -0.279 25600 1359 1 4 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.935 0.002 25600 1360 1 4 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.778 -0.374 25600 1361 1 4 . 1 1 17 17 VAL H H 17 7.969 7.969 9.127 -1.158 25600 1362 1 4 . 1 1 18 18 ALA N N 18 126.014 126.014 124.849 1.165 25600 1363 1 4 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.488 -0.313 25600 1364 1 4 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.843 -0.880 25600 1365 1 4 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.608 -0.686 25600 1366 1 4 . 1 1 18 18 ALA H H 18 7.756 7.756 8.297 -0.541 25600 1367 1 4 . 1 1 19 19 LYS N N 19 119.741 119.741 121.877 -2.136 25600 1368 1 4 . 1 1 19 19 LYS HA H 19 3.487 3.487 3.968 -0.481 25600 1369 1 4 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.531 0.241 25600 1370 1 4 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.907 -1.305 25600 1371 1 4 . 1 1 19 19 LYS H H 19 7.893 7.893 8.080 -0.187 25600 1372 1 4 . 1 1 20 20 GLY N N 20 116.709 116.709 113.455 3.254 25600 1373 1 4 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.383 -1.620 25600 1374 1 4 . 1 1 20 20 GLY H H 20 8.615 8.615 8.809 -0.194 25600 1375 1 4 . 1 1 21 21 LEU N N 21 123.004 123.004 123.355 -0.351 25600 1376 1 4 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.727 -0.139 25600 1377 1 4 . 1 1 21 21 LEU CA C 21 53.365 53.365 53.834 -0.469 25600 1378 1 4 . 1 1 21 21 LEU CB C 21 40.962 40.962 45.969 -5.007 25600 1379 1 4 . 1 1 21 21 LEU H H 21 8.013 8.013 8.019 -0.006 25600 1380 1 4 . 1 1 22 22 GLN N N 22 117.504 117.504 115.708 1.796 25600 1381 1 4 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.134 -0.006 25600 1382 1 4 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.230 -0.561 25600 1383 1 4 . 1 1 22 22 GLN CB C 22 30.914 30.914 32.224 -1.310 25600 1384 1 4 . 1 1 22 22 GLN H H 22 8.223 8.223 8.155 0.068 25600 1385 1 4 . 1 1 23 23 GLU N N 23 118.125 118.125 120.078 -1.953 25600 1386 1 4 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.539 0.024 25600 1387 1 4 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.033 -2.166 25600 1388 1 4 . 1 1 23 23 GLU CB C 23 32.874 32.874 31.216 1.658 25600 1389 1 4 . 1 1 23 23 GLU H H 23 8.188 8.188 8.517 -0.329 25600 1390 1 4 . 1 1 24 24 ASN N N 24 125.841 125.841 124.336 1.505 25600 1391 1 4 . 1 1 24 24 ASN HA H 24 4.778 4.778 4.876 -0.098 25600 1392 1 4 . 1 1 24 24 ASN CA C 24 52.511 52.511 53.277 -0.766 25600 1393 1 4 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.862 -0.116 25600 1394 1 4 . 1 1 24 24 ASN H H 24 9.391 9.391 8.704 0.687 25600 1395 1 4 . 1 1 25 25 PHE N N 25 122.823 122.823 126.527 -3.704 25600 1396 1 4 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.861 -0.210 25600 1397 1 4 . 1 1 25 25 PHE CA C 25 57.123 57.123 57.297 -0.174 25600 1398 1 4 . 1 1 25 25 PHE CB C 25 39.059 39.059 43.148 -4.089 25600 1399 1 4 . 1 1 25 25 PHE H H 25 8.062 8.062 8.163 -0.101 25600 1400 1 4 . 1 1 26 26 LYS N N 26 119.114 119.114 125.679 -6.565 25600 1401 1 4 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.320 0.924 25600 1402 1 4 . 1 1 26 26 LYS CA C 26 52.976 52.976 54.867 -1.891 25600 1403 1 4 . 1 1 26 26 LYS CB C 26 34.661 34.661 35.429 -0.768 25600 1404 1 4 . 1 1 26 26 LYS H H 26 9.255 9.255 7.900 1.355 25600 1405 1 4 . 1 1 27 27 ALA N N 27 125.586 125.586 125.780 -0.194 25600 1406 1 4 . 1 1 27 27 ALA HA H 27 5.262 5.262 4.545 0.717 25600 1407 1 4 . 1 1 27 27 ALA CA C 27 48.817 48.817 50.833 -2.016 25600 1408 1 4 . 1 1 27 27 ALA CB C 27 21.160 21.160 21.801 -0.641 25600 1409 1 4 . 1 1 27 27 ALA H H 27 9.120 9.120 8.517 0.603 25600 1410 1 4 . 1 1 28 28 THR N N 28 120.627 120.627 120.158 0.469 25600 1411 1 4 . 1 1 28 28 THR HA H 28 4.837 4.837 4.621 0.216 25600 1412 1 4 . 1 1 28 28 THR CA C 28 60.566 60.566 61.311 -0.745 25600 1413 1 4 . 1 1 28 28 THR CB C 28 69.478 69.478 70.004 -0.526 25600 1414 1 4 . 1 1 28 28 THR H H 28 9.062 9.062 8.151 0.911 25600 1415 1 4 . 1 1 29 29 GLY N N 29 115.788 115.788 113.868 1.920 25600 1416 1 4 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.654 0.662 25600 1417 1 4 . 1 1 29 29 GLY H H 29 9.663 9.663 8.889 0.774 25600 1418 1 4 . 1 1 30 30 ILE N N 30 123.085 123.085 122.740 0.345 25600 1419 1 4 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.203 0.575 25600 1420 1 4 . 1 1 30 30 ILE CA C 30 59.388 59.388 60.251 -0.863 25600 1421 1 4 . 1 1 30 30 ILE CB C 30 36.883 36.883 41.774 -4.891 25600 1422 1 4 . 1 1 30 30 ILE H H 30 7.914 7.914 8.678 -0.764 25600 1423 1 4 . 1 1 31 31 PHE N N 31 125.209 125.209 123.740 1.469 25600 1424 1 4 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.310 0.060 25600 1425 1 4 . 1 1 31 31 PHE CA C 31 56.487 56.487 55.385 1.102 25600 1426 1 4 . 1 1 31 31 PHE CB C 31 41.153 41.153 41.645 -0.492 25600 1427 1 4 . 1 1 31 31 PHE H H 31 8.316 8.316 8.239 0.077 25600 1428 1 4 . 1 1 32 32 THR N N 32 113.843 113.843 116.427 -2.584 25600 1429 1 4 . 1 1 32 32 THR HA H 32 4.404 4.404 4.263 0.141 25600 1430 1 4 . 1 1 32 32 THR CA C 32 64.157 64.157 64.913 -0.756 25600 1431 1 4 . 1 1 32 32 THR CB C 32 68.540 68.540 68.614 -0.074 25600 1432 1 4 . 1 1 32 32 THR H H 32 9.335 9.335 9.058 0.277 25600 1433 1 4 . 1 1 33 33 ASP N N 33 118.800 118.800 120.231 -1.431 25600 1434 1 4 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.727 -0.106 25600 1435 1 4 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.369 -1.406 25600 1436 1 4 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.515 -2.021 25600 1437 1 4 . 1 1 33 33 ASP H H 33 7.689 7.689 8.184 -0.495 25600 1438 1 4 . 1 1 34 34 ASN N N 34 112.995 112.995 113.958 -0.963 25600 1439 1 4 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.344 0.004 25600 1440 1 4 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.732 -0.386 25600 1441 1 4 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.434 0.056 25600 1442 1 4 . 1 1 34 34 ASN H H 34 8.370 8.370 8.001 0.369 25600 1443 1 4 . 1 1 35 35 SER N N 35 115.545 115.545 115.754 -0.209 25600 1444 1 4 . 1 1 35 35 SER HA H 35 4.413 4.413 4.649 -0.236 25600 1445 1 4 . 1 1 35 35 SER CA C 35 57.882 57.882 57.679 0.203 25600 1446 1 4 . 1 1 35 35 SER CB C 35 63.770 63.770 64.596 -0.826 25600 1447 1 4 . 1 1 35 35 SER H H 35 7.990 7.990 7.945 0.045 25600 1448 1 4 . 1 1 36 36 ASN N N 36 116.053 116.053 125.402 -9.349 25600 1449 1 4 . 1 1 36 36 ASN HA H 36 2.890 2.890 4.958 -2.068 25600 1450 1 4 . 1 1 36 36 ASN CA C 36 50.674 50.674 53.422 -2.748 25600 1451 1 4 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.354 1.445 25600 1452 1 4 . 1 1 36 36 ASN H H 36 8.518 8.518 8.886 -0.368 25600 1453 1 4 . 1 1 37 37 SER N N 37 113.191 113.191 117.396 -4.205 25600 1454 1 4 . 1 1 37 37 SER HA H 37 4.715 4.715 4.726 -0.011 25600 1455 1 4 . 1 1 37 37 SER CA C 37 56.801 56.801 57.292 -0.491 25600 1456 1 4 . 1 1 37 37 SER CB C 37 64.872 64.872 66.032 -1.160 25600 1457 1 4 . 1 1 37 37 SER H H 37 8.667 8.667 8.770 -0.103 25600 1458 1 4 . 1 1 38 38 ASP N N 38 123.962 123.962 122.209 1.753 25600 1459 1 4 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.736 0.251 25600 1460 1 4 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.293 0.908 25600 1461 1 4 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.201 -1.272 25600 1462 1 4 . 1 1 38 38 ASP H H 38 8.848 8.848 8.503 0.345 25600 1463 1 4 . 1 1 39 39 ILE N N 39 121.216 121.216 120.500 0.716 25600 1464 1 4 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.699 1.172 25600 1465 1 4 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.011 -2.304 25600 1466 1 4 . 1 1 39 39 ILE CB C 39 37.086 37.086 35.979 1.107 25600 1467 1 4 . 1 1 39 39 ILE H H 39 8.815 8.815 8.210 0.605 25600 1468 1 4 . 1 1 40 40 THR N N 40 122.867 122.867 115.804 7.063 25600 1469 1 4 . 1 1 40 40 THR HA H 40 4.288 4.288 4.003 0.285 25600 1470 1 4 . 1 1 40 40 THR CB C 40 68.527 68.527 68.865 -0.338 25600 1471 1 4 . 1 1 40 40 THR H H 40 8.679 8.679 8.304 0.375 25600 1472 1 4 . 1 1 41 41 ASP N N 41 114.081 114.081 118.942 -4.861 25600 1473 1 4 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.848 -1.150 25600 1474 1 4 . 1 1 41 41 ASP CA C 41 53.478 53.478 53.767 -0.289 25600 1475 1 4 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.680 -1.962 25600 1476 1 4 . 1 1 41 41 ASP H H 41 8.539 8.539 8.217 0.322 25600 1477 1 4 . 1 1 42 42 GLN N N 42 117.087 117.087 117.514 -0.427 25600 1478 1 4 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.051 0.100 25600 1479 1 4 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.222 -0.686 25600 1480 1 4 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.219 2.997 25600 1481 1 4 . 1 1 42 42 GLN H H 42 7.718 7.718 7.693 0.025 25600 1482 1 4 . 1 1 43 43 VAL N N 43 109.916 109.916 123.478 -13.562 25600 1483 1 4 . 1 1 43 43 VAL HA H 43 4.089 4.089 4.039 0.050 25600 1484 1 4 . 1 1 43 43 VAL CA C 43 58.840 58.840 61.889 -3.049 25600 1485 1 4 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.484 -1.211 25600 1486 1 4 . 1 1 43 43 VAL H H 43 6.902 6.902 8.053 -1.151 25600 1487 1 4 . 1 1 44 44 THR N N 44 116.272 116.272 124.949 -8.677 25600 1488 1 4 . 1 1 44 44 THR HA H 44 4.315 4.315 4.094 0.221 25600 1489 1 4 . 1 1 44 44 THR CA C 44 61.651 61.651 63.329 -1.678 25600 1490 1 4 . 1 1 44 44 THR CB C 44 68.890 68.890 69.031 -0.141 25600 1491 1 4 . 1 1 44 44 THR H H 44 8.787 8.787 8.636 0.151 25600 1492 1 4 . 1 1 45 45 TRP N N 45 132.098 132.098 126.781 5.317 25600 1493 1 4 . 1 1 45 45 TRP HA H 45 5.245 5.245 4.872 0.373 25600 1494 1 4 . 1 1 45 45 TRP CA C 45 55.387 55.387 55.889 -0.502 25600 1495 1 4 . 1 1 45 45 TRP CB C 45 30.077 30.077 30.939 -0.862 25600 1496 1 4 . 1 1 45 45 TRP H H 45 10.351 10.351 8.316 2.035 25600 1497 1 4 . 1 1 46 46 ASP N N 46 121.897 121.897 122.626 -0.729 25600 1498 1 4 . 1 1 46 46 ASP HA H 46 4.857 4.857 5.000 -0.143 25600 1499 1 4 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.451 -0.654 25600 1500 1 4 . 1 1 46 46 ASP CB C 46 45.075 45.075 44.044 1.031 25600 1501 1 4 . 1 1 46 46 ASP H H 46 9.471 9.471 8.507 0.964 25600 1502 1 4 . 1 1 47 47 SER N N 47 113.805 113.805 118.916 -5.111 25600 1503 1 4 . 1 1 47 47 SER HA H 47 5.043 5.043 5.168 -0.125 25600 1504 1 4 . 1 1 47 47 SER CA C 47 53.059 53.059 56.967 -3.908 25600 1505 1 4 . 1 1 47 47 SER CB C 47 64.880 64.880 66.816 -1.935 25600 1506 1 4 . 1 1 47 47 SER H H 47 8.502 8.502 8.524 -0.022 25600 1507 1 4 . 1 1 48 48 SER N N 48 119.614 119.614 118.103 1.511 25600 1508 1 4 . 1 1 48 48 SER HA H 48 4.264 4.264 4.170 0.094 25600 1509 1 4 . 1 1 48 48 SER CA C 48 59.404 59.404 60.906 -1.502 25600 1510 1 4 . 1 1 48 48 SER CB C 48 62.026 62.026 63.427 -1.401 25600 1511 1 4 . 1 1 48 48 SER H H 48 8.517 8.517 8.520 -0.003 25600 1512 1 4 . 1 1 49 49 ASN N N 49 118.260 118.260 115.033 3.227 25600 1513 1 4 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.513 0.385 25600 1514 1 4 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.467 -1.625 25600 1515 1 4 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.809 -1.089 25600 1516 1 4 . 1 1 49 49 ASN H H 49 7.816 7.816 8.187 -0.371 25600 1517 1 4 . 1 1 50 50 THR N N 50 119.288 119.288 111.762 7.526 25600 1518 1 4 . 1 1 50 50 THR HA H 50 4.541 4.541 4.517 0.024 25600 1519 1 4 . 1 1 50 50 THR CA C 50 62.137 62.137 63.113 -0.976 25600 1520 1 4 . 1 1 50 50 THR CB C 50 67.100 67.100 69.327 -2.227 25600 1521 1 4 . 1 1 50 50 THR H H 50 9.049 9.049 8.364 0.685 25600 1522 1 4 . 1 1 51 51 ASP N N 51 118.825 118.825 121.748 -2.923 25600 1523 1 4 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.795 -0.209 25600 1524 1 4 . 1 1 51 51 ASP CA C 51 54.690 54.690 55.185 -0.495 25600 1525 1 4 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.182 -2.524 25600 1526 1 4 . 1 1 51 51 ASP H H 51 8.251 8.251 8.465 -0.214 25600 1527 1 4 . 1 1 52 52 ILE N N 52 118.411 118.411 121.570 -3.159 25600 1528 1 4 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.410 -0.485 25600 1529 1 4 . 1 1 52 52 ILE CA C 52 61.681 61.681 60.966 0.715 25600 1530 1 4 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.314 -0.418 25600 1531 1 4 . 1 1 52 52 ILE H H 52 7.169 7.169 8.123 -0.954 25600 1532 1 4 . 1 1 53 53 LEU N N 53 120.126 120.126 123.031 -2.905 25600 1533 1 4 . 1 1 53 53 LEU HA H 53 5.021 5.021 5.457 -0.436 25600 1534 1 4 . 1 1 53 53 LEU CA C 53 53.281 53.281 54.053 -0.772 25600 1535 1 4 . 1 1 53 53 LEU CB C 53 46.405 46.405 45.553 0.852 25600 1536 1 4 . 1 1 53 53 LEU H H 53 7.876 7.876 7.948 -0.072 25600 1537 1 4 . 1 1 54 54 SER N N 54 122.252 122.252 117.433 4.819 25600 1538 1 4 . 1 1 54 54 SER HA H 54 4.959 4.959 4.932 0.027 25600 1539 1 4 . 1 1 54 54 SER CA C 54 54.724 54.724 57.022 -2.298 25600 1540 1 4 . 1 1 54 54 SER CB C 54 64.417 64.417 66.408 -1.991 25600 1541 1 4 . 1 1 54 54 SER H H 54 8.650 8.650 8.791 -0.141 25600 1542 1 4 . 1 1 55 55 ILE N N 55 123.973 123.973 123.855 0.118 25600 1543 1 4 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.562 0.339 25600 1544 1 4 . 1 1 55 55 ILE CA C 55 58.868 58.868 60.619 -1.751 25600 1545 1 4 . 1 1 55 55 ILE CB C 55 41.418 41.418 39.991 1.427 25600 1546 1 4 . 1 1 55 55 ILE H H 55 9.081 9.081 8.619 0.462 25600 1547 1 4 . 1 1 56 56 SER N N 56 119.540 119.540 123.417 -3.877 25600 1548 1 4 . 1 1 56 56 SER HA H 56 4.387 4.387 4.659 -0.272 25600 1549 1 4 . 1 1 56 56 SER CA C 56 56.626 56.626 57.398 -0.772 25600 1550 1 4 . 1 1 56 56 SER CB C 56 63.106 63.106 64.422 -1.316 25600 1551 1 4 . 1 1 56 56 SER H H 56 7.905 7.905 8.220 -0.315 25600 1552 1 4 . 1 1 57 57 ASN N N 57 124.207 124.207 123.283 0.924 25600 1553 1 4 . 1 1 57 57 ASN HA H 57 5.019 5.019 4.468 0.551 25600 1554 1 4 . 1 1 57 57 ASN CA C 57 52.469 52.469 52.033 0.436 25600 1555 1 4 . 1 1 57 57 ASN CB C 57 40.090 40.090 38.352 1.738 25600 1556 1 4 . 1 1 57 57 ASN H H 57 8.945 8.945 8.463 0.482 25600 1557 1 4 . 1 1 58 58 ALA N N 58 124.301 124.301 126.279 -1.978 25600 1558 1 4 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.110 0.023 25600 1559 1 4 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.398 -1.111 25600 1560 1 4 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.413 -1.059 25600 1561 1 4 . 1 1 58 58 ALA H H 58 8.150 8.150 8.129 0.021 25600 1562 1 4 . 1 1 59 59 SER N N 59 113.299 113.299 115.154 -1.855 25600 1563 1 4 . 1 1 59 59 SER HA H 59 4.698 4.698 4.221 0.477 25600 1564 1 4 . 1 1 59 59 SER CA C 59 60.003 60.003 60.397 -0.394 25600 1565 1 4 . 1 1 59 59 SER CB C 59 62.574 62.574 63.358 -0.783 25600 1566 1 4 . 1 1 59 59 SER H H 59 8.377 8.377 8.576 -0.199 25600 1567 1 4 . 1 1 60 60 ASP N N 60 116.275 116.275 120.604 -4.329 25600 1568 1 4 . 1 1 60 60 ASP HA H 60 4.661 4.661 4.510 0.151 25600 1569 1 4 . 1 1 60 60 ASP CA C 60 52.769 52.769 56.034 -3.265 25600 1570 1 4 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.113 -1.401 25600 1571 1 4 . 1 1 60 60 ASP H H 60 8.311 8.311 8.086 0.225 25600 1572 1 4 . 1 1 61 61 SER N N 61 112.650 112.650 110.553 2.097 25600 1573 1 4 . 1 1 61 61 SER HA H 61 4.630 4.630 4.446 0.184 25600 1574 1 4 . 1 1 61 61 SER CA C 61 56.180 56.180 58.523 -2.343 25600 1575 1 4 . 1 1 61 61 SER CB C 61 61.843 61.843 63.550 -1.708 25600 1576 1 4 . 1 1 61 61 SER H H 61 7.588 7.588 7.984 -0.396 25600 1577 1 4 . 1 1 62 62 HIS N N 62 119.790 119.790 122.272 -2.482 25600 1578 1 4 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.664 -0.617 25600 1579 1 4 . 1 1 62 62 HIS CA C 62 56.919 56.919 56.408 0.511 25600 1580 1 4 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.865 -3.341 25600 1581 1 4 . 1 1 62 62 HIS H H 62 8.029 8.029 8.040 -0.011 25600 1582 1 4 . 1 1 63 63 GLY N N 63 113.301 113.301 106.781 6.520 25600 1583 1 4 . 1 1 63 63 GLY CA C 63 43.653 43.653 43.928 -0.275 25600 1584 1 4 . 1 1 63 63 GLY H H 63 8.733 8.733 8.110 0.623 25600 1585 1 4 . 1 1 64 64 LEU N N 64 120.664 120.664 120.201 0.463 25600 1586 1 4 . 1 1 64 64 LEU HA H 64 4.386 4.386 4.753 -0.367 25600 1587 1 4 . 1 1 64 64 LEU CA C 64 54.893 54.893 54.790 0.103 25600 1588 1 4 . 1 1 64 64 LEU CB C 64 41.463 41.463 47.002 -5.540 25600 1589 1 4 . 1 1 64 64 LEU H H 64 7.679 7.679 7.520 0.159 25600 1590 1 4 . 1 1 65 65 ALA N N 65 108.346 108.346 123.402 -15.056 25600 1591 1 4 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.675 0.727 25600 1592 1 4 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.328 -1.062 25600 1593 1 4 . 1 1 65 65 ALA CB C 65 21.555 21.555 20.397 1.158 25600 1594 1 4 . 1 1 65 65 ALA H H 65 9.874 9.874 8.495 1.379 25600 1595 1 4 . 1 1 66 66 SER N N 66 115.951 115.951 120.313 -4.362 25600 1596 1 4 . 1 1 66 66 SER HA H 66 4.909 4.909 4.792 0.117 25600 1597 1 4 . 1 1 66 66 SER CA C 66 56.645 56.645 57.190 -0.545 25600 1598 1 4 . 1 1 66 66 SER CB C 66 63.823 63.823 64.562 -0.739 25600 1599 1 4 . 1 1 66 66 SER H H 66 8.938 8.938 8.678 0.260 25600 1600 1 4 . 1 1 67 67 THR N N 67 113.596 113.596 120.705 -7.109 25600 1601 1 4 . 1 1 67 67 THR HA H 67 4.649 4.649 4.986 -0.337 25600 1602 1 4 . 1 1 67 67 THR CA C 67 59.216 59.216 61.009 -1.793 25600 1603 1 4 . 1 1 67 67 THR CB C 67 69.006 69.006 71.273 -2.267 25600 1604 1 4 . 1 1 67 67 THR H H 67 8.258 8.258 8.558 -0.300 25600 1605 1 4 . 1 1 68 68 LEU N N 68 124.151 124.151 127.394 -3.243 25600 1606 1 4 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.710 -0.354 25600 1607 1 4 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.525 0.587 25600 1608 1 4 . 1 1 68 68 LEU CB C 68 42.915 42.915 41.341 1.574 25600 1609 1 4 . 1 1 68 68 LEU H H 68 8.616 8.616 8.754 -0.138 25600 1610 1 4 . 1 1 69 69 ASN N N 69 115.821 115.821 117.160 -1.339 25600 1611 1 4 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.963 -0.319 25600 1612 1 4 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.858 -0.403 25600 1613 1 4 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.710 1.596 25600 1614 1 4 . 1 1 69 69 ASN H H 69 7.965 7.965 7.561 0.404 25600 1615 1 4 . 1 1 70 70 GLN N N 70 114.564 114.564 115.929 -1.365 25600 1616 1 4 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.773 -0.848 25600 1617 1 4 . 1 1 70 70 GLN CA C 70 55.237 55.237 54.634 0.603 25600 1618 1 4 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.412 0.594 25600 1619 1 4 . 1 1 70 70 GLN H H 70 8.287 8.287 8.492 -0.205 25600 1620 1 4 . 1 1 71 71 GLY N N 71 108.006 108.006 109.094 -1.088 25600 1621 1 4 . 1 1 71 71 GLY CA C 71 43.686 43.686 44.865 -1.179 25600 1622 1 4 . 1 1 71 71 GLY H H 71 8.520 8.520 8.012 0.508 25600 1623 1 4 . 1 1 72 72 ASN N N 72 117.785 117.785 118.167 -0.382 25600 1624 1 4 . 1 1 72 72 ASN HA H 72 5.473 5.473 4.886 0.587 25600 1625 1 4 . 1 1 72 72 ASN CA C 72 51.691 51.691 51.872 -0.181 25600 1626 1 4 . 1 1 72 72 ASN CB C 72 39.896 39.896 40.962 -1.066 25600 1627 1 4 . 1 1 72 72 ASN H H 72 8.420 8.420 8.413 0.007 25600 1628 1 4 . 1 1 73 73 VAL N N 73 115.848 115.848 118.148 -2.300 25600 1629 1 4 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.226 0.305 25600 1630 1 4 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.865 -0.890 25600 1631 1 4 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.201 -0.022 25600 1632 1 4 . 1 1 73 73 VAL H H 73 8.990 8.990 8.099 0.891 25600 1633 1 4 . 1 1 74 74 LYS N N 74 123.195 123.195 123.349 -0.154 25600 1634 1 4 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.558 0.598 25600 1635 1 4 . 1 1 74 74 LYS CA C 74 53.881 53.881 55.057 -1.176 25600 1636 1 4 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.172 0.425 25600 1637 1 4 . 1 1 74 74 LYS H H 74 8.715 8.715 8.387 0.328 25600 1638 1 4 . 1 1 75 75 VAL N N 75 129.522 129.522 129.540 -0.018 25600 1639 1 4 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.932 -0.390 25600 1640 1 4 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.374 -0.558 25600 1641 1 4 . 1 1 75 75 VAL CB C 75 32.483 32.483 34.283 -1.800 25600 1642 1 4 . 1 1 75 75 VAL H H 75 8.975 8.975 9.122 -0.147 25600 1643 1 4 . 1 1 76 76 THR N N 76 120.548 120.548 121.961 -1.413 25600 1644 1 4 . 1 1 76 76 THR HA H 76 5.066 5.066 4.616 0.450 25600 1645 1 4 . 1 1 76 76 THR CA C 76 59.783 59.783 60.631 -0.848 25600 1646 1 4 . 1 1 76 76 THR CB C 76 70.733 70.733 71.038 -0.305 25600 1647 1 4 . 1 1 76 76 THR H H 76 8.650 8.650 8.892 -0.242 25600 1648 1 4 . 1 1 77 77 ALA N N 77 126.454 126.454 128.311 -1.857 25600 1649 1 4 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.483 -1.103 25600 1650 1 4 . 1 1 77 77 ALA CA C 77 48.430 48.430 49.749 -1.319 25600 1651 1 4 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.374 -1.830 25600 1652 1 4 . 1 1 77 77 ALA H H 77 8.674 8.674 7.980 0.694 25600 1653 1 4 . 1 1 78 78 SER N N 78 113.568 113.568 117.559 -3.991 25600 1654 1 4 . 1 1 78 78 SER HA H 78 5.376 5.376 4.811 0.565 25600 1655 1 4 . 1 1 78 78 SER CA C 78 56.077 56.077 57.125 -1.048 25600 1656 1 4 . 1 1 78 78 SER CB C 78 65.730 65.730 66.112 -0.382 25600 1657 1 4 . 1 1 78 78 SER H H 78 8.117 8.117 8.242 -0.125 25600 1658 1 4 . 1 1 79 79 ILE N N 79 121.071 121.071 123.083 -2.012 25600 1659 1 4 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.389 -0.248 25600 1660 1 4 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.548 0.576 25600 1661 1 4 . 1 1 79 79 ILE CB C 79 38.809 38.809 41.070 -2.261 25600 1662 1 4 . 1 1 79 79 ILE H H 79 8.446 8.446 7.912 0.534 25600 1663 1 4 . 1 1 80 80 GLY N N 80 117.157 117.157 114.514 2.643 25600 1664 1 4 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.686 -0.680 25600 1665 1 4 . 1 1 80 80 GLY H H 80 8.899 8.899 8.652 0.247 25600 1666 1 4 . 1 1 81 81 GLY N N 81 110.716 110.716 110.873 -0.157 25600 1667 1 4 . 1 1 81 81 GLY CA C 81 44.378 44.378 45.011 -0.634 25600 1668 1 4 . 1 1 81 81 GLY H H 81 8.742 8.742 8.198 0.544 25600 1669 1 4 . 1 1 82 82 ILE N N 82 124.112 124.112 121.722 2.390 25600 1670 1 4 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.258 -0.058 25600 1671 1 4 . 1 1 82 82 ILE CA C 82 59.033 59.033 60.156 -1.123 25600 1672 1 4 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.555 -1.778 25600 1673 1 4 . 1 1 82 82 ILE H H 82 8.188 8.188 7.953 0.235 25600 1674 1 4 . 1 1 83 83 GLN N N 83 122.453 122.453 121.198 1.255 25600 1675 1 4 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.490 0.905 25600 1676 1 4 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.306 -1.286 25600 1677 1 4 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.860 -0.345 25600 1678 1 4 . 1 1 83 83 GLN H H 83 8.423 8.423 8.073 0.350 25600 1679 1 4 . 1 1 84 84 GLY N N 84 111.437 111.437 107.556 3.881 25600 1680 1 4 . 1 1 84 84 GLY CA C 84 43.698 43.698 43.695 0.003 25600 1681 1 4 . 1 1 84 84 GLY H H 84 8.931 8.931 8.986 -0.055 25600 1682 1 4 . 1 1 85 85 SER N N 85 113.877 113.877 114.215 -0.338 25600 1683 1 4 . 1 1 85 85 SER HA H 85 5.841 5.841 4.744 1.097 25600 1684 1 4 . 1 1 85 85 SER CA C 85 56.264 56.264 57.331 -1.067 25600 1685 1 4 . 1 1 85 85 SER CB C 85 66.946 66.946 66.338 0.608 25600 1686 1 4 . 1 1 85 85 SER H H 85 8.710 8.710 8.120 0.590 25600 1687 1 4 . 1 1 86 86 THR N N 86 115.389 115.389 116.090 -0.701 25600 1688 1 4 . 1 1 86 86 THR HA H 86 4.772 4.772 4.594 0.178 25600 1689 1 4 . 1 1 86 86 THR CA C 86 60.313 60.313 61.966 -1.653 25600 1690 1 4 . 1 1 86 86 THR CB C 86 69.953 69.953 71.952 -1.999 25600 1691 1 4 . 1 1 86 86 THR H H 86 8.854 8.854 9.124 -0.270 25600 1692 1 4 . 1 1 87 87 ASP N N 87 124.623 124.623 124.717 -0.094 25600 1693 1 4 . 1 1 87 87 ASP HA H 87 5.436 5.436 5.057 0.379 25600 1694 1 4 . 1 1 87 87 ASP CA C 87 53.796 53.796 52.695 1.101 25600 1695 1 4 . 1 1 87 87 ASP CB C 87 42.010 42.010 43.584 -1.574 25600 1696 1 4 . 1 1 87 87 ASP H H 87 7.953 7.953 8.492 -0.539 25600 1697 1 4 . 1 1 88 88 PHE N N 88 123.577 123.577 122.465 1.112 25600 1698 1 4 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.694 -0.763 25600 1699 1 4 . 1 1 88 88 PHE CA C 88 56.968 56.968 55.353 1.615 25600 1700 1 4 . 1 1 88 88 PHE CB C 88 42.884 42.884 42.946 -0.062 25600 1701 1 4 . 1 1 88 88 PHE H H 88 9.094 9.094 7.965 1.129 25600 1702 1 4 . 1 1 89 89 LYS N N 89 126.965 126.965 124.764 2.201 25600 1703 1 4 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.793 0.245 25600 1704 1 4 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.131 -1.242 25600 1705 1 4 . 1 1 89 89 LYS CB C 89 34.669 34.669 36.056 -1.387 25600 1706 1 4 . 1 1 89 89 LYS H H 89 7.269 7.269 8.795 -1.526 25600 1707 1 4 . 1 1 90 90 VAL N N 90 126.148 126.148 129.692 -3.544 25600 1708 1 4 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.307 -0.296 25600 1709 1 4 . 1 1 90 90 VAL CA C 90 59.547 59.547 60.631 -1.084 25600 1710 1 4 . 1 1 90 90 VAL CB C 90 30.948 30.948 33.846 -2.898 25600 1711 1 4 . 1 1 90 90 VAL H H 90 9.086 9.086 8.880 0.206 25600 1712 1 4 . 1 1 91 91 THR N N 91 120.506 120.506 119.315 1.191 25600 1713 1 4 . 1 1 91 91 THR HA H 91 4.568 4.568 4.699 -0.131 25600 1714 1 4 . 1 1 91 91 THR CA C 91 59.348 59.348 59.579 -0.231 25600 1715 1 4 . 1 1 91 91 THR CB C 91 68.970 68.970 71.556 -2.586 25600 1716 1 4 . 1 1 91 91 THR H H 91 8.757 8.757 8.426 0.331 25600 1717 1 5 . 1 1 2 2 PRO HA H 2 4.277 4.277 4.427 -0.150 25600 1718 1 5 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.678 -1.457 25600 1719 1 5 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.273 -0.857 25600 1720 1 5 . 1 1 3 3 ALA N N 3 123.804 123.804 123.506 0.298 25600 1721 1 5 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.021 0.185 25600 1722 1 5 . 1 1 3 3 ALA CA C 3 51.395 51.395 52.066 -0.671 25600 1723 1 5 . 1 1 3 3 ALA CB C 3 18.840 18.840 18.149 0.691 25600 1724 1 5 . 1 1 3 3 ALA H H 3 8.647 8.647 8.243 0.404 25600 1725 1 5 . 1 1 4 4 ALA N N 4 124.059 124.059 126.784 -2.725 25600 1726 1 5 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.747 -0.038 25600 1727 1 5 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.341 -0.319 25600 1728 1 5 . 1 1 4 4 ALA CB C 4 19.897 19.897 21.735 -1.838 25600 1729 1 5 . 1 1 4 4 ALA H H 4 8.239 8.239 7.966 0.273 25600 1730 1 5 . 1 1 5 5 LEU N N 5 124.019 124.019 121.224 2.795 25600 1731 1 5 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.530 -1.158 25600 1732 1 5 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.560 -1.552 25600 1733 1 5 . 1 1 5 5 LEU CB C 5 41.242 41.242 42.090 -0.848 25600 1734 1 5 . 1 1 5 5 LEU H H 5 8.560 8.560 8.679 -0.119 25600 1735 1 5 . 1 1 6 6 VAL N N 6 123.356 123.356 120.699 2.657 25600 1736 1 5 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.346 -0.249 25600 1737 1 5 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.290 0.050 25600 1738 1 5 . 1 1 6 6 VAL CB C 6 32.948 32.948 34.033 -1.085 25600 1739 1 5 . 1 1 6 6 VAL H H 6 9.119 9.119 8.513 0.606 25600 1740 1 5 . 1 1 7 7 SER N N 7 112.134 112.134 112.719 -0.585 25600 1741 1 5 . 1 1 7 7 SER HA H 7 4.445 4.445 4.683 -0.238 25600 1742 1 5 . 1 1 7 7 SER CA C 7 56.349 56.349 57.734 -1.385 25600 1743 1 5 . 1 1 7 7 SER CB C 7 64.361 64.361 65.527 -1.166 25600 1744 1 5 . 1 1 7 7 SER H H 7 7.680 7.680 7.523 0.157 25600 1745 1 5 . 1 1 8 8 ILE N N 8 118.674 118.674 116.167 2.507 25600 1746 1 5 . 1 1 8 8 ILE HA H 8 4.673 4.673 4.997 -0.324 25600 1747 1 5 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.737 -0.591 25600 1748 1 5 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.418 -0.744 25600 1749 1 5 . 1 1 8 8 ILE H H 8 8.354 8.354 8.097 0.257 25600 1750 1 5 . 1 1 9 9 SER N N 9 121.318 121.318 120.213 1.105 25600 1751 1 5 . 1 1 9 9 SER HA H 9 4.863 4.863 4.873 -0.010 25600 1752 1 5 . 1 1 9 9 SER CA C 9 55.381 55.381 57.532 -2.151 25600 1753 1 5 . 1 1 9 9 SER CB C 9 64.243 64.243 63.820 0.423 25600 1754 1 5 . 1 1 9 9 SER H H 9 9.028 9.028 8.670 0.358 25600 1755 1 5 . 1 1 10 10 VAL N N 10 127.509 127.509 121.381 6.128 25600 1756 1 5 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.931 0.119 25600 1757 1 5 . 1 1 10 10 VAL CA C 10 60.912 60.912 59.892 1.020 25600 1758 1 5 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.504 -0.117 25600 1759 1 5 . 1 1 10 10 VAL H H 10 8.911 8.911 8.267 0.644 25600 1760 1 5 . 1 1 11 11 SER N N 11 121.861 121.861 122.014 -0.153 25600 1761 1 5 . 1 1 11 11 SER CB C 11 64.373 64.373 63.900 0.473 25600 1762 1 5 . 1 1 11 11 SER H H 11 9.205 9.205 8.609 0.596 25600 1763 1 5 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.627 0.077 25600 1764 1 5 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.753 -1.854 25600 1765 1 5 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.445 1.644 25600 1766 1 5 . 1 1 13 13 THR N N 13 116.138 116.138 118.197 -2.059 25600 1767 1 5 . 1 1 13 13 THR HA H 13 4.770 4.770 4.474 0.296 25600 1768 1 5 . 1 1 13 13 THR CA C 13 60.153 60.153 61.884 -1.731 25600 1769 1 5 . 1 1 13 13 THR CB C 13 69.426 69.426 70.723 -1.297 25600 1770 1 5 . 1 1 13 13 THR H H 13 8.679 8.679 8.525 0.154 25600 1771 1 5 . 1 1 14 14 ASN N N 14 124.457 124.457 124.910 -0.453 25600 1772 1 5 . 1 1 14 14 ASN HA H 14 4.695 4.695 5.005 -0.310 25600 1773 1 5 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.007 1.121 25600 1774 1 5 . 1 1 14 14 ASN CB C 14 36.593 36.593 38.765 -2.172 25600 1775 1 5 . 1 1 14 14 ASN H H 14 8.710 8.710 8.705 0.005 25600 1776 1 5 . 1 1 15 15 SER N N 15 113.673 113.673 116.498 -2.825 25600 1777 1 5 . 1 1 15 15 SER HA H 15 4.648 4.648 4.614 0.034 25600 1778 1 5 . 1 1 15 15 SER CA C 15 55.644 55.644 56.705 -1.061 25600 1779 1 5 . 1 1 15 15 SER CB C 15 63.953 63.953 65.144 -1.191 25600 1780 1 5 . 1 1 15 15 SER H H 15 9.127 9.127 7.456 1.671 25600 1781 1 5 . 1 1 16 16 THR N N 16 113.579 113.579 114.121 -0.542 25600 1782 1 5 . 1 1 16 16 THR HA H 16 4.976 4.976 5.142 -0.166 25600 1783 1 5 . 1 1 16 16 THR CA C 16 58.445 58.445 60.757 -2.312 25600 1784 1 5 . 1 1 16 16 THR CB C 16 70.534 70.534 70.856 -0.322 25600 1785 1 5 . 1 1 16 16 THR H H 16 7.962 7.962 8.195 -0.233 25600 1786 1 5 . 1 1 17 17 VAL N N 17 121.479 121.479 121.647 -0.168 25600 1787 1 5 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.527 -0.207 25600 1788 1 5 . 1 1 17 17 VAL CA C 17 59.937 59.937 60.030 -0.093 25600 1789 1 5 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.608 -0.203 25600 1790 1 5 . 1 1 17 17 VAL H H 17 7.969 7.969 8.755 -0.786 25600 1791 1 5 . 1 1 18 18 ALA N N 18 126.014 126.014 127.117 -1.103 25600 1792 1 5 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.354 -0.179 25600 1793 1 5 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.928 -0.965 25600 1794 1 5 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.681 -0.759 25600 1795 1 5 . 1 1 18 18 ALA H H 18 7.756 7.756 8.347 -0.591 25600 1796 1 5 . 1 1 19 19 LYS N N 19 119.741 119.741 123.653 -3.912 25600 1797 1 5 . 1 1 19 19 LYS HA H 19 3.487 3.487 3.936 -0.449 25600 1798 1 5 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.459 0.313 25600 1799 1 5 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.709 -1.107 25600 1800 1 5 . 1 1 19 19 LYS H H 19 7.893 7.893 8.031 -0.138 25600 1801 1 5 . 1 1 20 20 GLY N N 20 116.709 116.709 113.741 2.968 25600 1802 1 5 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.103 -1.340 25600 1803 1 5 . 1 1 20 20 GLY H H 20 8.615 8.615 8.763 -0.148 25600 1804 1 5 . 1 1 21 21 LEU N N 21 123.004 123.004 122.231 0.773 25600 1805 1 5 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.595 -0.007 25600 1806 1 5 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.366 -1.001 25600 1807 1 5 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.050 -5.088 25600 1808 1 5 . 1 1 21 21 LEU H H 21 8.013 8.013 7.603 0.410 25600 1809 1 5 . 1 1 22 22 GLN N N 22 117.504 117.504 115.565 1.939 25600 1810 1 5 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.005 0.123 25600 1811 1 5 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.075 -0.406 25600 1812 1 5 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.998 -1.084 25600 1813 1 5 . 1 1 22 22 GLN H H 22 8.223 8.223 8.154 0.069 25600 1814 1 5 . 1 1 23 23 GLU N N 23 118.125 118.125 121.036 -2.911 25600 1815 1 5 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.502 0.061 25600 1816 1 5 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.971 -2.104 25600 1817 1 5 . 1 1 23 23 GLU CB C 23 32.874 32.874 32.486 0.388 25600 1818 1 5 . 1 1 23 23 GLU H H 23 8.188 8.188 8.314 -0.126 25600 1819 1 5 . 1 1 24 24 ASN N N 24 125.841 125.841 123.971 1.870 25600 1820 1 5 . 1 1 24 24 ASN HA H 24 4.778 4.778 4.905 -0.127 25600 1821 1 5 . 1 1 24 24 ASN CA C 24 52.511 52.511 53.497 -0.986 25600 1822 1 5 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.158 0.588 25600 1823 1 5 . 1 1 24 24 ASN H H 24 9.391 9.391 8.493 0.898 25600 1824 1 5 . 1 1 25 25 PHE N N 25 122.823 122.823 121.539 1.284 25600 1825 1 5 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.777 -0.126 25600 1826 1 5 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.693 0.430 25600 1827 1 5 . 1 1 25 25 PHE CB C 25 39.059 39.059 42.213 -3.154 25600 1828 1 5 . 1 1 25 25 PHE H H 25 8.062 8.062 8.610 -0.548 25600 1829 1 5 . 1 1 26 26 LYS N N 26 119.114 119.114 118.810 0.304 25600 1830 1 5 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.726 0.518 25600 1831 1 5 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.578 -2.602 25600 1832 1 5 . 1 1 26 26 LYS CB C 26 34.661 34.661 35.606 -0.945 25600 1833 1 5 . 1 1 26 26 LYS H H 26 9.255 9.255 8.566 0.689 25600 1834 1 5 . 1 1 27 27 ALA N N 27 125.586 125.586 127.742 -2.156 25600 1835 1 5 . 1 1 27 27 ALA HA H 27 5.262 5.262 4.884 0.378 25600 1836 1 5 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.200 -2.383 25600 1837 1 5 . 1 1 27 27 ALA CB C 27 21.160 21.160 21.867 -0.707 25600 1838 1 5 . 1 1 27 27 ALA H H 27 9.120 9.120 8.879 0.241 25600 1839 1 5 . 1 1 28 28 THR N N 28 120.627 120.627 120.748 -0.121 25600 1840 1 5 . 1 1 28 28 THR HA H 28 4.837 4.837 4.685 0.152 25600 1841 1 5 . 1 1 28 28 THR CA C 28 60.566 60.566 61.176 -0.610 25600 1842 1 5 . 1 1 28 28 THR CB C 28 69.478 69.478 70.637 -1.159 25600 1843 1 5 . 1 1 28 28 THR H H 28 9.062 9.062 8.253 0.809 25600 1844 1 5 . 1 1 29 29 GLY N N 29 115.788 115.788 114.417 1.371 25600 1845 1 5 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.685 0.631 25600 1846 1 5 . 1 1 29 29 GLY H H 29 9.663 9.663 8.991 0.672 25600 1847 1 5 . 1 1 30 30 ILE N N 30 123.085 123.085 122.628 0.457 25600 1848 1 5 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.407 0.371 25600 1849 1 5 . 1 1 30 30 ILE CA C 30 59.388 59.388 58.612 0.776 25600 1850 1 5 . 1 1 30 30 ILE CB C 30 36.883 36.883 40.404 -3.521 25600 1851 1 5 . 1 1 30 30 ILE H H 30 7.914 7.914 8.542 -0.628 25600 1852 1 5 . 1 1 31 31 PHE N N 31 125.209 125.209 122.132 3.077 25600 1853 1 5 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.259 0.111 25600 1854 1 5 . 1 1 31 31 PHE CA C 31 56.487 56.487 55.740 0.747 25600 1855 1 5 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.493 -1.340 25600 1856 1 5 . 1 1 31 31 PHE H H 31 8.316 8.316 8.468 -0.152 25600 1857 1 5 . 1 1 32 32 THR N N 32 113.843 113.843 117.907 -4.064 25600 1858 1 5 . 1 1 32 32 THR HA H 32 4.404 4.404 4.148 0.256 25600 1859 1 5 . 1 1 32 32 THR CA C 32 64.157 64.157 66.039 -1.882 25600 1860 1 5 . 1 1 32 32 THR CB C 32 68.540 68.540 68.972 -0.433 25600 1861 1 5 . 1 1 32 32 THR H H 32 9.335 9.335 8.922 0.413 25600 1862 1 5 . 1 1 33 33 ASP N N 33 118.800 118.800 119.466 -0.666 25600 1863 1 5 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.619 0.002 25600 1864 1 5 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.172 -1.209 25600 1865 1 5 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.539 -2.045 25600 1866 1 5 . 1 1 33 33 ASP H H 33 7.689 7.689 8.390 -0.701 25600 1867 1 5 . 1 1 34 34 ASN N N 34 112.995 112.995 114.050 -1.055 25600 1868 1 5 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.361 -0.013 25600 1869 1 5 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.084 0.262 25600 1870 1 5 . 1 1 34 34 ASN CB C 34 36.490 36.490 37.460 -0.970 25600 1871 1 5 . 1 1 34 34 ASN H H 34 8.370 8.370 7.985 0.385 25600 1872 1 5 . 1 1 35 35 SER N N 35 115.545 115.545 114.577 0.968 25600 1873 1 5 . 1 1 35 35 SER HA H 35 4.413 4.413 4.684 -0.271 25600 1874 1 5 . 1 1 35 35 SER CA C 35 57.882 57.882 57.586 0.296 25600 1875 1 5 . 1 1 35 35 SER CB C 35 63.770 63.770 64.346 -0.576 25600 1876 1 5 . 1 1 35 35 SER H H 35 7.990 7.990 8.073 -0.083 25600 1877 1 5 . 1 1 36 36 ASN N N 36 116.053 116.053 123.898 -7.845 25600 1878 1 5 . 1 1 36 36 ASN HA H 36 2.890 2.890 4.956 -2.066 25600 1879 1 5 . 1 1 36 36 ASN CA C 36 50.674 50.674 53.213 -2.539 25600 1880 1 5 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.103 1.696 25600 1881 1 5 . 1 1 36 36 ASN H H 36 8.518 8.518 8.623 -0.105 25600 1882 1 5 . 1 1 37 37 SER N N 37 113.191 113.191 115.694 -2.503 25600 1883 1 5 . 1 1 37 37 SER HA H 37 4.715 4.715 4.704 0.011 25600 1884 1 5 . 1 1 37 37 SER CA C 37 56.801 56.801 57.518 -0.717 25600 1885 1 5 . 1 1 37 37 SER CB C 37 64.872 64.872 65.806 -0.934 25600 1886 1 5 . 1 1 37 37 SER H H 37 8.667 8.667 8.332 0.335 25600 1887 1 5 . 1 1 38 38 ASP N N 38 123.962 123.962 121.650 2.312 25600 1888 1 5 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.893 0.094 25600 1889 1 5 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.556 0.645 25600 1890 1 5 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.474 -1.545 25600 1891 1 5 . 1 1 38 38 ASP H H 38 8.848 8.848 8.536 0.312 25600 1892 1 5 . 1 1 39 39 ILE N N 39 121.216 121.216 124.662 -3.446 25600 1893 1 5 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.777 1.094 25600 1894 1 5 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.320 -2.613 25600 1895 1 5 . 1 1 39 39 ILE CB C 39 37.086 37.086 37.447 -0.361 25600 1896 1 5 . 1 1 39 39 ILE H H 39 8.815 8.815 8.395 0.420 25600 1897 1 5 . 1 1 40 40 THR N N 40 122.867 122.867 115.139 7.728 25600 1898 1 5 . 1 1 40 40 THR HA H 40 4.288 4.288 4.145 0.143 25600 1899 1 5 . 1 1 40 40 THR CB C 40 68.527 68.527 68.827 -0.300 25600 1900 1 5 . 1 1 40 40 THR H H 40 8.679 8.679 8.207 0.472 25600 1901 1 5 . 1 1 41 41 ASP N N 41 114.081 114.081 119.082 -5.001 25600 1902 1 5 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.852 -1.154 25600 1903 1 5 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.349 -0.871 25600 1904 1 5 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.750 -2.032 25600 1905 1 5 . 1 1 41 41 ASP H H 41 8.539 8.539 8.434 0.105 25600 1906 1 5 . 1 1 42 42 GLN N N 42 117.087 117.087 116.445 0.642 25600 1907 1 5 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.018 0.133 25600 1908 1 5 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.062 -0.526 25600 1909 1 5 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.293 2.923 25600 1910 1 5 . 1 1 42 42 GLN H H 42 7.718 7.718 7.591 0.127 25600 1911 1 5 . 1 1 43 43 VAL N N 43 109.916 109.916 122.738 -12.822 25600 1912 1 5 . 1 1 43 43 VAL HA H 43 4.089 4.089 4.291 -0.202 25600 1913 1 5 . 1 1 43 43 VAL CA C 43 58.840 58.840 61.626 -2.785 25600 1914 1 5 . 1 1 43 43 VAL CB C 43 31.273 31.273 33.043 -1.770 25600 1915 1 5 . 1 1 43 43 VAL H H 43 6.902 6.902 8.272 -1.370 25600 1916 1 5 . 1 1 44 44 THR N N 44 116.272 116.272 124.664 -8.392 25600 1917 1 5 . 1 1 44 44 THR HA H 44 4.315 4.315 4.467 -0.152 25600 1918 1 5 . 1 1 44 44 THR CA C 44 61.651 61.651 62.520 -0.869 25600 1919 1 5 . 1 1 44 44 THR CB C 44 68.890 68.890 69.076 -0.186 25600 1920 1 5 . 1 1 44 44 THR H H 44 8.787 8.787 8.503 0.284 25600 1921 1 5 . 1 1 45 45 TRP N N 45 132.098 132.098 125.313 6.785 25600 1922 1 5 . 1 1 45 45 TRP HA H 45 5.245 5.245 5.051 0.194 25600 1923 1 5 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.829 0.558 25600 1924 1 5 . 1 1 45 45 TRP CB C 45 30.077 30.077 29.909 0.168 25600 1925 1 5 . 1 1 45 45 TRP H H 45 10.351 10.351 8.243 2.107 25600 1926 1 5 . 1 1 46 46 ASP N N 46 121.897 121.897 123.208 -1.311 25600 1927 1 5 . 1 1 46 46 ASP HA H 46 4.857 4.857 4.915 -0.058 25600 1928 1 5 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.803 -1.006 25600 1929 1 5 . 1 1 46 46 ASP CB C 46 45.075 45.075 44.366 0.709 25600 1930 1 5 . 1 1 46 46 ASP H H 46 9.471 9.471 8.460 1.011 25600 1931 1 5 . 1 1 47 47 SER N N 47 113.805 113.805 118.187 -4.382 25600 1932 1 5 . 1 1 47 47 SER HA H 47 5.043 5.043 5.164 -0.121 25600 1933 1 5 . 1 1 47 47 SER CA C 47 53.059 53.059 57.089 -4.030 25600 1934 1 5 . 1 1 47 47 SER CB C 47 64.880 64.880 64.935 -0.055 25600 1935 1 5 . 1 1 47 47 SER H H 47 8.502 8.502 8.501 0.001 25600 1936 1 5 . 1 1 48 48 SER N N 48 119.614 119.614 120.249 -0.635 25600 1937 1 5 . 1 1 48 48 SER HA H 48 4.264 4.264 4.223 0.041 25600 1938 1 5 . 1 1 48 48 SER CA C 48 59.404 59.404 60.461 -1.057 25600 1939 1 5 . 1 1 48 48 SER CB C 48 62.026 62.026 63.596 -1.570 25600 1940 1 5 . 1 1 48 48 SER H H 48 8.517 8.517 8.867 -0.350 25600 1941 1 5 . 1 1 49 49 ASN N N 49 118.260 118.260 116.839 1.421 25600 1942 1 5 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.603 0.295 25600 1943 1 5 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.125 -1.284 25600 1944 1 5 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.813 -1.093 25600 1945 1 5 . 1 1 49 49 ASN H H 49 7.816 7.816 8.116 -0.300 25600 1946 1 5 . 1 1 50 50 THR N N 50 119.288 119.288 116.443 2.845 25600 1947 1 5 . 1 1 50 50 THR HA H 50 4.541 4.541 4.356 0.185 25600 1948 1 5 . 1 1 50 50 THR CA C 50 62.137 62.137 62.928 -0.791 25600 1949 1 5 . 1 1 50 50 THR CB C 50 67.100 67.100 69.496 -2.396 25600 1950 1 5 . 1 1 50 50 THR H H 50 9.049 9.049 8.357 0.692 25600 1951 1 5 . 1 1 51 51 ASP N N 51 118.825 118.825 120.124 -1.299 25600 1952 1 5 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.771 -0.185 25600 1953 1 5 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.815 -0.125 25600 1954 1 5 . 1 1 51 51 ASP CB C 51 39.658 39.658 43.183 -3.525 25600 1955 1 5 . 1 1 51 51 ASP H H 51 8.251 8.251 8.361 -0.110 25600 1956 1 5 . 1 1 52 52 ILE N N 52 118.411 118.411 121.239 -2.828 25600 1957 1 5 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.379 -0.454 25600 1958 1 5 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.027 0.654 25600 1959 1 5 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.154 -0.258 25600 1960 1 5 . 1 1 52 52 ILE H H 52 7.169 7.169 8.271 -1.102 25600 1961 1 5 . 1 1 53 53 LEU N N 53 120.126 120.126 122.551 -2.425 25600 1962 1 5 . 1 1 53 53 LEU HA H 53 5.021 5.021 5.089 -0.068 25600 1963 1 5 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.691 -0.410 25600 1964 1 5 . 1 1 53 53 LEU CB C 53 46.405 46.405 45.399 1.006 25600 1965 1 5 . 1 1 53 53 LEU H H 53 7.876 7.876 7.913 -0.037 25600 1966 1 5 . 1 1 54 54 SER N N 54 122.252 122.252 117.352 4.900 25600 1967 1 5 . 1 1 54 54 SER HA H 54 4.959 4.959 4.853 0.106 25600 1968 1 5 . 1 1 54 54 SER CA C 54 54.724 54.724 57.219 -2.495 25600 1969 1 5 . 1 1 54 54 SER CB C 54 64.417 64.417 66.222 -1.805 25600 1970 1 5 . 1 1 54 54 SER H H 54 8.650 8.650 8.680 -0.030 25600 1971 1 5 . 1 1 55 55 ILE N N 55 123.973 123.973 123.770 0.203 25600 1972 1 5 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.452 0.449 25600 1973 1 5 . 1 1 55 55 ILE CA C 55 58.868 58.868 58.811 0.057 25600 1974 1 5 . 1 1 55 55 ILE CB C 55 41.418 41.418 38.875 2.543 25600 1975 1 5 . 1 1 55 55 ILE H H 55 9.081 9.081 8.556 0.525 25600 1976 1 5 . 1 1 56 56 SER N N 56 119.540 119.540 121.879 -2.339 25600 1977 1 5 . 1 1 56 56 SER HA H 56 4.387 4.387 4.263 0.124 25600 1978 1 5 . 1 1 56 56 SER CA C 56 56.626 56.626 56.727 -0.101 25600 1979 1 5 . 1 1 56 56 SER CB C 56 63.106 63.106 64.538 -1.432 25600 1980 1 5 . 1 1 56 56 SER H H 56 7.905 7.905 8.146 -0.241 25600 1981 1 5 . 1 1 57 57 ASN N N 57 124.207 124.207 123.181 1.026 25600 1982 1 5 . 1 1 57 57 ASN HA H 57 5.019 5.019 4.667 0.352 25600 1983 1 5 . 1 1 57 57 ASN CA C 57 52.469 52.469 52.266 0.203 25600 1984 1 5 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.872 0.218 25600 1985 1 5 . 1 1 57 57 ASN H H 57 8.945 8.945 8.114 0.831 25600 1986 1 5 . 1 1 58 58 ALA N N 58 124.301 124.301 120.859 3.442 25600 1987 1 5 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.024 0.109 25600 1988 1 5 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.767 -1.480 25600 1989 1 5 . 1 1 58 58 ALA CB C 58 18.354 18.354 18.357 -0.003 25600 1990 1 5 . 1 1 58 58 ALA H H 58 8.150 8.150 7.517 0.633 25600 1991 1 5 . 1 1 59 59 SER N N 59 113.299 113.299 114.480 -1.181 25600 1992 1 5 . 1 1 59 59 SER HA H 59 4.698 4.698 4.415 0.283 25600 1993 1 5 . 1 1 59 59 SER CA C 59 60.003 60.003 59.715 0.288 25600 1994 1 5 . 1 1 59 59 SER CB C 59 62.574 62.574 62.991 -0.417 25600 1995 1 5 . 1 1 59 59 SER H H 59 8.377 8.377 8.539 -0.162 25600 1996 1 5 . 1 1 60 60 ASP N N 60 116.275 116.275 121.545 -5.270 25600 1997 1 5 . 1 1 60 60 ASP HA H 60 4.661 4.661 4.644 0.017 25600 1998 1 5 . 1 1 60 60 ASP CA C 60 52.769 52.769 56.283 -3.514 25600 1999 1 5 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.088 -1.376 25600 2000 1 5 . 1 1 60 60 ASP H H 60 8.311 8.311 8.393 -0.082 25600 2001 1 5 . 1 1 61 61 SER N N 61 112.650 112.650 110.857 1.793 25600 2002 1 5 . 1 1 61 61 SER HA H 61 4.630 4.630 4.381 0.249 25600 2003 1 5 . 1 1 61 61 SER CA C 61 56.180 56.180 58.460 -2.280 25600 2004 1 5 . 1 1 61 61 SER CB C 61 61.843 61.843 64.188 -2.345 25600 2005 1 5 . 1 1 61 61 SER H H 61 7.588 7.588 8.018 -0.430 25600 2006 1 5 . 1 1 62 62 HIS N N 62 119.790 119.790 120.786 -0.996 25600 2007 1 5 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.525 -0.478 25600 2008 1 5 . 1 1 62 62 HIS CA C 62 56.919 56.919 55.859 1.060 25600 2009 1 5 . 1 1 62 62 HIS CB C 62 27.524 27.524 29.423 -1.899 25600 2010 1 5 . 1 1 62 62 HIS H H 62 8.029 8.029 7.999 0.030 25600 2011 1 5 . 1 1 63 63 GLY N N 63 113.301 113.301 109.537 3.764 25600 2012 1 5 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.347 -0.695 25600 2013 1 5 . 1 1 63 63 GLY H H 63 8.733 8.733 8.633 0.100 25600 2014 1 5 . 1 1 64 64 LEU N N 64 120.664 120.664 118.679 1.985 25600 2015 1 5 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.099 -0.713 25600 2016 1 5 . 1 1 64 64 LEU CA C 64 54.893 54.893 54.089 0.804 25600 2017 1 5 . 1 1 64 64 LEU CB C 64 41.463 41.463 46.003 -4.540 25600 2018 1 5 . 1 1 64 64 LEU H H 64 7.679 7.679 7.817 -0.138 25600 2019 1 5 . 1 1 65 65 ALA N N 65 108.346 108.346 121.270 -12.924 25600 2020 1 5 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.839 0.563 25600 2021 1 5 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.736 -1.469 25600 2022 1 5 . 1 1 65 65 ALA CB C 65 21.555 21.555 21.315 0.240 25600 2023 1 5 . 1 1 65 65 ALA H H 65 9.874 9.874 8.249 1.625 25600 2024 1 5 . 1 1 66 66 SER N N 66 115.951 115.951 119.310 -3.359 25600 2025 1 5 . 1 1 66 66 SER HA H 66 4.909 4.909 5.456 -0.547 25600 2026 1 5 . 1 1 66 66 SER CA C 66 56.645 56.645 56.212 0.433 25600 2027 1 5 . 1 1 66 66 SER CB C 66 63.823 63.823 65.156 -1.333 25600 2028 1 5 . 1 1 66 66 SER H H 66 8.938 8.938 8.746 0.192 25600 2029 1 5 . 1 1 67 67 THR N N 67 113.596 113.596 116.464 -2.868 25600 2030 1 5 . 1 1 67 67 THR HA H 67 4.649 4.649 4.791 -0.142 25600 2031 1 5 . 1 1 67 67 THR CA C 67 59.216 59.216 60.512 -1.296 25600 2032 1 5 . 1 1 67 67 THR CB C 67 69.006 69.006 70.629 -1.623 25600 2033 1 5 . 1 1 67 67 THR H H 67 8.258 8.258 8.521 -0.263 25600 2034 1 5 . 1 1 68 68 LEU N N 68 124.151 124.151 123.114 1.037 25600 2035 1 5 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.673 -0.317 25600 2036 1 5 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.159 0.953 25600 2037 1 5 . 1 1 68 68 LEU CB C 68 42.915 42.915 41.856 1.059 25600 2038 1 5 . 1 1 68 68 LEU H H 68 8.616 8.616 9.016 -0.400 25600 2039 1 5 . 1 1 69 69 ASN N N 69 115.821 115.821 118.314 -2.493 25600 2040 1 5 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.974 -0.330 25600 2041 1 5 . 1 1 69 69 ASN CA C 69 51.456 51.456 52.295 -0.839 25600 2042 1 5 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.801 1.505 25600 2043 1 5 . 1 1 69 69 ASN H H 69 7.965 7.965 7.656 0.309 25600 2044 1 5 . 1 1 70 70 GLN N N 70 114.564 114.564 116.091 -1.527 25600 2045 1 5 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.648 -0.723 25600 2046 1 5 . 1 1 70 70 GLN CA C 70 55.237 55.237 54.926 0.311 25600 2047 1 5 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.780 0.226 25600 2048 1 5 . 1 1 70 70 GLN H H 70 8.287 8.287 8.567 -0.280 25600 2049 1 5 . 1 1 71 71 GLY N N 71 108.006 108.006 109.381 -1.375 25600 2050 1 5 . 1 1 71 71 GLY CA C 71 43.686 43.686 43.669 0.017 25600 2051 1 5 . 1 1 71 71 GLY H H 71 8.520 8.520 8.065 0.455 25600 2052 1 5 . 1 1 72 72 ASN N N 72 117.785 117.785 118.400 -0.615 25600 2053 1 5 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.207 0.266 25600 2054 1 5 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.501 -0.810 25600 2055 1 5 . 1 1 72 72 ASN CB C 72 39.896 39.896 40.617 -0.721 25600 2056 1 5 . 1 1 72 72 ASN H H 72 8.420 8.420 8.380 0.040 25600 2057 1 5 . 1 1 73 73 VAL N N 73 115.848 115.848 114.681 1.167 25600 2058 1 5 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.611 -0.080 25600 2059 1 5 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.850 -0.875 25600 2060 1 5 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.287 -0.108 25600 2061 1 5 . 1 1 73 73 VAL H H 73 8.990 8.990 9.173 -0.183 25600 2062 1 5 . 1 1 74 74 LYS N N 74 123.195 123.195 125.759 -2.564 25600 2063 1 5 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.833 0.323 25600 2064 1 5 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.223 -0.342 25600 2065 1 5 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.622 -0.025 25600 2066 1 5 . 1 1 74 74 LYS H H 74 8.715 8.715 8.699 0.016 25600 2067 1 5 . 1 1 75 75 VAL N N 75 129.522 129.522 126.968 2.554 25600 2068 1 5 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.601 -0.059 25600 2069 1 5 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.457 -0.641 25600 2070 1 5 . 1 1 75 75 VAL CB C 75 32.483 32.483 32.303 0.180 25600 2071 1 5 . 1 1 75 75 VAL H H 75 8.975 8.975 8.196 0.779 25600 2072 1 5 . 1 1 76 76 THR N N 76 120.548 120.548 120.427 0.121 25600 2073 1 5 . 1 1 76 76 THR HA H 76 5.066 5.066 4.815 0.251 25600 2074 1 5 . 1 1 76 76 THR CA C 76 59.783 59.783 60.520 -0.737 25600 2075 1 5 . 1 1 76 76 THR CB C 76 70.733 70.733 70.918 -0.185 25600 2076 1 5 . 1 1 76 76 THR H H 76 8.650 8.650 9.043 -0.393 25600 2077 1 5 . 1 1 77 77 ALA N N 77 126.454 126.454 128.121 -1.667 25600 2078 1 5 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.604 -1.224 25600 2079 1 5 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.274 -1.844 25600 2080 1 5 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.748 -2.204 25600 2081 1 5 . 1 1 77 77 ALA H H 77 8.674 8.674 8.815 -0.141 25600 2082 1 5 . 1 1 78 78 SER N N 78 113.568 113.568 117.788 -4.220 25600 2083 1 5 . 1 1 78 78 SER HA H 78 5.376 5.376 4.875 0.501 25600 2084 1 5 . 1 1 78 78 SER CA C 78 56.077 56.077 57.746 -1.669 25600 2085 1 5 . 1 1 78 78 SER CB C 78 65.730 65.730 66.268 -0.538 25600 2086 1 5 . 1 1 78 78 SER H H 78 8.117 8.117 8.261 -0.144 25600 2087 1 5 . 1 1 79 79 ILE N N 79 121.071 121.071 123.090 -2.019 25600 2088 1 5 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.341 -0.200 25600 2089 1 5 . 1 1 79 79 ILE CA C 79 61.124 61.124 59.975 1.149 25600 2090 1 5 . 1 1 79 79 ILE CB C 79 38.809 38.809 41.084 -2.275 25600 2091 1 5 . 1 1 79 79 ILE H H 79 8.446 8.446 8.129 0.317 25600 2092 1 5 . 1 1 80 80 GLY N N 80 117.157 117.157 115.821 1.336 25600 2093 1 5 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.785 -0.779 25600 2094 1 5 . 1 1 80 80 GLY H H 80 8.899 8.899 8.834 0.065 25600 2095 1 5 . 1 1 81 81 GLY N N 81 110.716 110.716 110.881 -0.165 25600 2096 1 5 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.901 -0.523 25600 2097 1 5 . 1 1 81 81 GLY H H 81 8.742 8.742 8.292 0.450 25600 2098 1 5 . 1 1 82 82 ILE N N 82 124.112 124.112 121.381 2.731 25600 2099 1 5 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.330 -0.130 25600 2100 1 5 . 1 1 82 82 ILE CA C 82 59.033 59.033 59.394 -0.361 25600 2101 1 5 . 1 1 82 82 ILE CB C 82 36.777 36.777 39.013 -2.236 25600 2102 1 5 . 1 1 82 82 ILE H H 82 8.188 8.188 7.776 0.412 25600 2103 1 5 . 1 1 83 83 GLN N N 83 122.453 122.453 121.201 1.252 25600 2104 1 5 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.538 0.857 25600 2105 1 5 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.065 -1.045 25600 2106 1 5 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.833 -0.318 25600 2107 1 5 . 1 1 83 83 GLN H H 83 8.423 8.423 8.197 0.226 25600 2108 1 5 . 1 1 84 84 GLY N N 84 111.437 111.437 107.834 3.603 25600 2109 1 5 . 1 1 84 84 GLY CA C 84 43.698 43.698 44.277 -0.579 25600 2110 1 5 . 1 1 84 84 GLY H H 84 8.931 8.931 9.077 -0.146 25600 2111 1 5 . 1 1 85 85 SER N N 85 113.877 113.877 116.439 -2.562 25600 2112 1 5 . 1 1 85 85 SER HA H 85 5.841 5.841 5.173 0.667 25600 2113 1 5 . 1 1 85 85 SER CA C 85 56.264 56.264 57.040 -0.776 25600 2114 1 5 . 1 1 85 85 SER CB C 85 66.946 66.946 65.456 1.490 25600 2115 1 5 . 1 1 85 85 SER H H 85 8.710 8.710 8.381 0.329 25600 2116 1 5 . 1 1 86 86 THR N N 86 115.389 115.389 115.392 -0.003 25600 2117 1 5 . 1 1 86 86 THR HA H 86 4.772 4.772 4.494 0.278 25600 2118 1 5 . 1 1 86 86 THR CA C 86 60.313 60.313 61.618 -1.305 25600 2119 1 5 . 1 1 86 86 THR CB C 86 69.953 69.953 71.182 -1.229 25600 2120 1 5 . 1 1 86 86 THR H H 86 8.854 8.854 8.447 0.407 25600 2121 1 5 . 1 1 87 87 ASP N N 87 124.623 124.623 122.031 2.592 25600 2122 1 5 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.929 0.507 25600 2123 1 5 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.257 0.539 25600 2124 1 5 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.936 -0.926 25600 2125 1 5 . 1 1 87 87 ASP H H 87 7.953 7.953 8.396 -0.443 25600 2126 1 5 . 1 1 88 88 PHE N N 88 123.577 123.577 125.328 -1.751 25600 2127 1 5 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.506 -0.575 25600 2128 1 5 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.428 0.540 25600 2129 1 5 . 1 1 88 88 PHE CB C 88 42.884 42.884 44.155 -1.271 25600 2130 1 5 . 1 1 88 88 PHE H H 88 9.094 9.094 9.292 -0.198 25600 2131 1 5 . 1 1 89 89 LYS N N 89 126.965 126.965 125.499 1.466 25600 2132 1 5 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.875 0.163 25600 2133 1 5 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.251 -1.362 25600 2134 1 5 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.762 -1.093 25600 2135 1 5 . 1 1 89 89 LYS H H 89 7.269 7.269 8.551 -1.282 25600 2136 1 5 . 1 1 90 90 VAL N N 90 126.148 126.148 127.842 -1.694 25600 2137 1 5 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.392 -0.381 25600 2138 1 5 . 1 1 90 90 VAL CA C 90 59.547 59.547 59.352 0.195 25600 2139 1 5 . 1 1 90 90 VAL CB C 90 30.948 30.948 34.288 -3.340 25600 2140 1 5 . 1 1 90 90 VAL H H 90 9.086 9.086 8.863 0.223 25600 2141 1 5 . 1 1 91 91 THR N N 91 120.506 120.506 121.995 -1.489 25600 2142 1 5 . 1 1 91 91 THR HA H 91 4.568 4.568 4.835 -0.267 25600 2143 1 5 . 1 1 91 91 THR CA C 91 59.348 59.348 59.871 -0.523 25600 2144 1 5 . 1 1 91 91 THR CB C 91 68.970 68.970 72.461 -3.491 25600 2145 1 5 . 1 1 91 91 THR H H 91 8.757 8.757 7.954 0.803 25600 2146 1 6 . 1 1 2 2 PRO HA H 2 4.277 4.277 4.559 -0.282 25600 2147 1 6 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.548 -1.327 25600 2148 1 6 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.476 -1.060 25600 2149 1 6 . 1 1 3 3 ALA N N 3 123.804 123.804 123.189 0.615 25600 2150 1 6 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.151 0.055 25600 2151 1 6 . 1 1 3 3 ALA CA C 3 51.395 51.395 52.809 -1.414 25600 2152 1 6 . 1 1 3 3 ALA CB C 3 18.840 18.840 18.406 0.434 25600 2153 1 6 . 1 1 3 3 ALA H H 3 8.647 8.647 8.228 0.419 25600 2154 1 6 . 1 1 4 4 ALA N N 4 124.059 124.059 127.194 -3.135 25600 2155 1 6 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.807 -0.098 25600 2156 1 6 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.432 -0.410 25600 2157 1 6 . 1 1 4 4 ALA CB C 4 19.897 19.897 21.299 -1.402 25600 2158 1 6 . 1 1 4 4 ALA H H 4 8.239 8.239 8.019 0.220 25600 2159 1 6 . 1 1 5 5 LEU N N 5 124.019 124.019 121.885 2.134 25600 2160 1 6 . 1 1 5 5 LEU HA H 5 3.372 3.372 3.904 -0.532 25600 2161 1 6 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.393 -1.385 25600 2162 1 6 . 1 1 5 5 LEU CB C 5 41.242 41.242 42.450 -1.208 25600 2163 1 6 . 1 1 5 5 LEU H H 5 8.560 8.560 8.807 -0.247 25600 2164 1 6 . 1 1 6 6 VAL N N 6 123.356 123.356 120.289 3.067 25600 2165 1 6 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.173 -0.076 25600 2166 1 6 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.792 -0.452 25600 2167 1 6 . 1 1 6 6 VAL CB C 6 32.948 32.948 34.020 -1.072 25600 2168 1 6 . 1 1 6 6 VAL H H 6 9.119 9.119 7.978 1.141 25600 2169 1 6 . 1 1 7 7 SER N N 7 112.134 112.134 113.976 -1.842 25600 2170 1 6 . 1 1 7 7 SER HA H 7 4.445 4.445 4.679 -0.234 25600 2171 1 6 . 1 1 7 7 SER CA C 7 56.349 56.349 58.200 -1.851 25600 2172 1 6 . 1 1 7 7 SER CB C 7 64.361 64.361 66.325 -1.964 25600 2173 1 6 . 1 1 7 7 SER H H 7 7.680 7.680 7.440 0.240 25600 2174 1 6 . 1 1 8 8 ILE N N 8 118.674 118.674 119.993 -1.319 25600 2175 1 6 . 1 1 8 8 ILE HA H 8 4.673 4.673 4.541 0.132 25600 2176 1 6 . 1 1 8 8 ILE CA C 8 59.146 59.146 61.227 -2.081 25600 2177 1 6 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.386 -0.712 25600 2178 1 6 . 1 1 8 8 ILE H H 8 8.354 8.354 8.358 -0.004 25600 2179 1 6 . 1 1 9 9 SER N N 9 121.318 121.318 122.531 -1.213 25600 2180 1 6 . 1 1 9 9 SER HA H 9 4.863 4.863 4.790 0.073 25600 2181 1 6 . 1 1 9 9 SER CA C 9 55.381 55.381 57.477 -2.096 25600 2182 1 6 . 1 1 9 9 SER CB C 9 64.243 64.243 63.398 0.845 25600 2183 1 6 . 1 1 9 9 SER H H 9 9.028 9.028 8.384 0.644 25600 2184 1 6 . 1 1 10 10 VAL N N 10 127.509 127.509 121.030 6.479 25600 2185 1 6 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.821 0.229 25600 2186 1 6 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.093 0.820 25600 2187 1 6 . 1 1 10 10 VAL CB C 10 33.387 33.387 34.206 -0.819 25600 2188 1 6 . 1 1 10 10 VAL H H 10 8.911 8.911 8.399 0.512 25600 2189 1 6 . 1 1 11 11 SER N N 11 121.861 121.861 121.804 0.057 25600 2190 1 6 . 1 1 11 11 SER CB C 11 64.373 64.373 63.123 1.250 25600 2191 1 6 . 1 1 11 11 SER H H 11 9.205 9.205 8.611 0.594 25600 2192 1 6 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.517 0.187 25600 2193 1 6 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.662 -1.763 25600 2194 1 6 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.177 1.912 25600 2195 1 6 . 1 1 13 13 THR N N 13 116.138 116.138 113.477 2.661 25600 2196 1 6 . 1 1 13 13 THR HA H 13 4.770 4.770 4.433 0.337 25600 2197 1 6 . 1 1 13 13 THR CA C 13 60.153 60.153 60.441 -0.289 25600 2198 1 6 . 1 1 13 13 THR CB C 13 69.426 69.426 70.019 -0.593 25600 2199 1 6 . 1 1 13 13 THR H H 13 8.679 8.679 8.230 0.449 25600 2200 1 6 . 1 1 14 14 ASN N N 14 124.457 124.457 124.058 0.399 25600 2201 1 6 . 1 1 14 14 ASN HA H 14 4.695 4.695 5.064 -0.369 25600 2202 1 6 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.379 0.749 25600 2203 1 6 . 1 1 14 14 ASN CB C 14 36.593 36.593 38.627 -2.034 25600 2204 1 6 . 1 1 14 14 ASN H H 14 8.710 8.710 8.736 -0.026 25600 2205 1 6 . 1 1 15 15 SER N N 15 113.673 113.673 116.873 -3.200 25600 2206 1 6 . 1 1 15 15 SER HA H 15 4.648 4.648 4.631 0.017 25600 2207 1 6 . 1 1 15 15 SER CA C 15 55.644 55.644 56.666 -1.022 25600 2208 1 6 . 1 1 15 15 SER CB C 15 63.953 63.953 65.660 -1.707 25600 2209 1 6 . 1 1 15 15 SER H H 15 9.127 9.127 7.702 1.425 25600 2210 1 6 . 1 1 16 16 THR N N 16 113.579 113.579 114.222 -0.643 25600 2211 1 6 . 1 1 16 16 THR HA H 16 4.976 4.976 4.805 0.171 25600 2212 1 6 . 1 1 16 16 THR CA C 16 58.445 58.445 60.711 -2.266 25600 2213 1 6 . 1 1 16 16 THR CB C 16 70.534 70.534 70.310 0.224 25600 2214 1 6 . 1 1 16 16 THR H H 16 7.962 7.962 8.154 -0.192 25600 2215 1 6 . 1 1 17 17 VAL N N 17 121.479 121.479 118.708 2.771 25600 2216 1 6 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.501 -0.181 25600 2217 1 6 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.613 0.324 25600 2218 1 6 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.115 0.289 25600 2219 1 6 . 1 1 17 17 VAL H H 17 7.969 7.969 7.976 -0.007 25600 2220 1 6 . 1 1 18 18 ALA N N 18 126.014 126.014 125.481 0.533 25600 2221 1 6 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.255 -0.080 25600 2222 1 6 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.803 -0.840 25600 2223 1 6 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.576 -0.654 25600 2224 1 6 . 1 1 18 18 ALA H H 18 7.756 7.756 8.222 -0.466 25600 2225 1 6 . 1 1 19 19 LYS N N 19 119.741 119.741 122.101 -2.360 25600 2226 1 6 . 1 1 19 19 LYS HA H 19 3.487 3.487 3.992 -0.505 25600 2227 1 6 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.155 0.617 25600 2228 1 6 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.487 -0.885 25600 2229 1 6 . 1 1 19 19 LYS H H 19 7.893 7.893 8.365 -0.472 25600 2230 1 6 . 1 1 20 20 GLY N N 20 116.709 116.709 114.005 2.704 25600 2231 1 6 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.108 -1.345 25600 2232 1 6 . 1 1 20 20 GLY H H 20 8.615 8.615 8.716 -0.101 25600 2233 1 6 . 1 1 21 21 LEU N N 21 123.004 123.004 123.651 -0.647 25600 2234 1 6 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.725 -0.137 25600 2235 1 6 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.401 -1.036 25600 2236 1 6 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.427 -5.465 25600 2237 1 6 . 1 1 21 21 LEU H H 21 8.013 8.013 8.016 -0.003 25600 2238 1 6 . 1 1 22 22 GLN N N 22 117.504 117.504 116.663 0.841 25600 2239 1 6 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.319 -0.191 25600 2240 1 6 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.471 -0.802 25600 2241 1 6 . 1 1 22 22 GLN CB C 22 30.914 30.914 32.193 -1.279 25600 2242 1 6 . 1 1 22 22 GLN H H 22 8.223 8.223 8.226 -0.003 25600 2243 1 6 . 1 1 23 23 GLU N N 23 118.125 118.125 120.361 -2.236 25600 2244 1 6 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.560 0.003 25600 2245 1 6 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.575 -2.708 25600 2246 1 6 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.732 -0.858 25600 2247 1 6 . 1 1 23 23 GLU H H 23 8.188 8.188 8.619 -0.431 25600 2248 1 6 . 1 1 24 24 ASN N N 24 125.841 125.841 122.128 3.713 25600 2249 1 6 . 1 1 24 24 ASN HA H 24 4.778 4.778 4.926 -0.148 25600 2250 1 6 . 1 1 24 24 ASN CA C 24 52.511 52.511 52.715 -0.204 25600 2251 1 6 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.669 0.076 25600 2252 1 6 . 1 1 24 24 ASN H H 24 9.391 9.391 8.503 0.888 25600 2253 1 6 . 1 1 25 25 PHE N N 25 122.823 122.823 124.488 -1.665 25600 2254 1 6 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.452 0.199 25600 2255 1 6 . 1 1 25 25 PHE CA C 25 57.123 57.123 57.577 -0.454 25600 2256 1 6 . 1 1 25 25 PHE CB C 25 39.059 39.059 41.061 -2.002 25600 2257 1 6 . 1 1 25 25 PHE H H 25 8.062 8.062 7.953 0.109 25600 2258 1 6 . 1 1 26 26 LYS N N 26 119.114 119.114 121.247 -2.133 25600 2259 1 6 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.621 0.623 25600 2260 1 6 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.267 -2.291 25600 2261 1 6 . 1 1 26 26 LYS CB C 26 34.661 34.661 36.049 -1.388 25600 2262 1 6 . 1 1 26 26 LYS H H 26 9.255 9.255 8.627 0.628 25600 2263 1 6 . 1 1 27 27 ALA N N 27 125.586 125.586 127.304 -1.718 25600 2264 1 6 . 1 1 27 27 ALA HA H 27 5.262 5.262 4.702 0.560 25600 2265 1 6 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.343 -2.526 25600 2266 1 6 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.254 -1.094 25600 2267 1 6 . 1 1 27 27 ALA H H 27 9.120 9.120 8.403 0.717 25600 2268 1 6 . 1 1 28 28 THR N N 28 120.627 120.627 119.317 1.310 25600 2269 1 6 . 1 1 28 28 THR HA H 28 4.837 4.837 4.677 0.160 25600 2270 1 6 . 1 1 28 28 THR CA C 28 60.566 60.566 61.142 -0.576 25600 2271 1 6 . 1 1 28 28 THR CB C 28 69.478 69.478 70.419 -0.941 25600 2272 1 6 . 1 1 28 28 THR H H 28 9.062 9.062 8.134 0.928 25600 2273 1 6 . 1 1 29 29 GLY N N 29 115.788 115.788 113.539 2.249 25600 2274 1 6 . 1 1 29 29 GLY CA C 29 44.316 44.316 44.064 0.252 25600 2275 1 6 . 1 1 29 29 GLY H H 29 9.663 9.663 9.300 0.363 25600 2276 1 6 . 1 1 30 30 ILE N N 30 123.085 123.085 126.455 -3.370 25600 2277 1 6 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.366 0.412 25600 2278 1 6 . 1 1 30 30 ILE CA C 30 59.388 59.388 59.244 0.144 25600 2279 1 6 . 1 1 30 30 ILE CB C 30 36.883 36.883 37.920 -1.037 25600 2280 1 6 . 1 1 30 30 ILE H H 30 7.914 7.914 8.448 -0.534 25600 2281 1 6 . 1 1 31 31 PHE N N 31 125.209 125.209 125.243 -0.034 25600 2282 1 6 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.139 0.231 25600 2283 1 6 . 1 1 31 31 PHE CA C 31 56.487 56.487 56.527 -0.040 25600 2284 1 6 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.754 -1.601 25600 2285 1 6 . 1 1 31 31 PHE H H 31 8.316 8.316 8.654 -0.338 25600 2286 1 6 . 1 1 32 32 THR N N 32 113.843 113.843 117.774 -3.931 25600 2287 1 6 . 1 1 32 32 THR HA H 32 4.404 4.404 4.099 0.305 25600 2288 1 6 . 1 1 32 32 THR CA C 32 64.157 64.157 65.950 -1.793 25600 2289 1 6 . 1 1 32 32 THR CB C 32 68.540 68.540 68.733 -0.193 25600 2290 1 6 . 1 1 32 32 THR H H 32 9.335 9.335 9.033 0.302 25600 2291 1 6 . 1 1 33 33 ASP N N 33 118.800 118.800 120.521 -1.721 25600 2292 1 6 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.660 -0.039 25600 2293 1 6 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.849 -1.885 25600 2294 1 6 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.727 -2.233 25600 2295 1 6 . 1 1 33 33 ASP H H 33 7.689 7.689 8.139 -0.450 25600 2296 1 6 . 1 1 34 34 ASN N N 34 112.995 112.995 114.163 -1.168 25600 2297 1 6 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.371 -0.023 25600 2298 1 6 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.551 -0.205 25600 2299 1 6 . 1 1 34 34 ASN CB C 34 36.490 36.490 37.189 -0.699 25600 2300 1 6 . 1 1 34 34 ASN H H 34 8.370 8.370 8.115 0.255 25600 2301 1 6 . 1 1 35 35 SER N N 35 115.545 115.545 114.901 0.644 25600 2302 1 6 . 1 1 35 35 SER HA H 35 4.413 4.413 4.583 -0.170 25600 2303 1 6 . 1 1 35 35 SER CA C 35 57.882 57.882 57.361 0.521 25600 2304 1 6 . 1 1 35 35 SER CB C 35 63.770 63.770 63.104 0.666 25600 2305 1 6 . 1 1 35 35 SER H H 35 7.990 7.990 8.133 -0.143 25600 2306 1 6 . 1 1 36 36 ASN N N 36 116.053 116.053 121.503 -5.450 25600 2307 1 6 . 1 1 36 36 ASN HA H 36 2.890 2.890 5.368 -2.478 25600 2308 1 6 . 1 1 36 36 ASN CA C 36 50.674 50.674 52.450 -1.776 25600 2309 1 6 . 1 1 36 36 ASN CB C 36 41.799 41.799 39.803 1.996 25600 2310 1 6 . 1 1 36 36 ASN H H 36 8.518 8.518 8.002 0.516 25600 2311 1 6 . 1 1 37 37 SER N N 37 113.191 113.191 115.308 -2.117 25600 2312 1 6 . 1 1 37 37 SER HA H 37 4.715 4.715 4.821 -0.106 25600 2313 1 6 . 1 1 37 37 SER CA C 37 56.801 56.801 57.288 -0.487 25600 2314 1 6 . 1 1 37 37 SER CB C 37 64.872 64.872 66.101 -1.229 25600 2315 1 6 . 1 1 37 37 SER H H 37 8.667 8.667 8.576 0.091 25600 2316 1 6 . 1 1 38 38 ASP N N 38 123.962 123.962 120.288 3.674 25600 2317 1 6 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.857 0.130 25600 2318 1 6 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.731 0.470 25600 2319 1 6 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.787 -1.858 25600 2320 1 6 . 1 1 38 38 ASP H H 38 8.848 8.848 8.529 0.319 25600 2321 1 6 . 1 1 39 39 ILE N N 39 121.216 121.216 121.655 -0.439 25600 2322 1 6 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.790 1.081 25600 2323 1 6 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.418 -2.711 25600 2324 1 6 . 1 1 39 39 ILE CB C 39 37.086 37.086 37.575 -0.489 25600 2325 1 6 . 1 1 39 39 ILE H H 39 8.815 8.815 8.916 -0.101 25600 2326 1 6 . 1 1 40 40 THR N N 40 122.867 122.867 115.909 6.958 25600 2327 1 6 . 1 1 40 40 THR HA H 40 4.288 4.288 4.222 0.066 25600 2328 1 6 . 1 1 40 40 THR CB C 40 68.527 68.527 68.782 -0.255 25600 2329 1 6 . 1 1 40 40 THR H H 40 8.679 8.679 8.056 0.623 25600 2330 1 6 . 1 1 41 41 ASP N N 41 114.081 114.081 119.610 -5.529 25600 2331 1 6 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.807 -1.109 25600 2332 1 6 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.085 -0.607 25600 2333 1 6 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.964 -2.246 25600 2334 1 6 . 1 1 41 41 ASP H H 41 8.539 8.539 8.382 0.157 25600 2335 1 6 . 1 1 42 42 GLN N N 42 117.087 117.087 117.233 -0.146 25600 2336 1 6 . 1 1 42 42 GLN HA H 42 4.151 4.151 3.995 0.156 25600 2337 1 6 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.066 -0.530 25600 2338 1 6 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.211 3.005 25600 2339 1 6 . 1 1 42 42 GLN H H 42 7.718 7.718 7.366 0.352 25600 2340 1 6 . 1 1 43 43 VAL N N 43 109.916 109.916 124.179 -14.263 25600 2341 1 6 . 1 1 43 43 VAL HA H 43 4.089 4.089 4.218 -0.129 25600 2342 1 6 . 1 1 43 43 VAL CA C 43 58.840 58.840 62.389 -3.549 25600 2343 1 6 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.917 -1.644 25600 2344 1 6 . 1 1 43 43 VAL H H 43 6.902 6.902 8.448 -1.546 25600 2345 1 6 . 1 1 44 44 THR N N 44 116.272 116.272 125.545 -9.273 25600 2346 1 6 . 1 1 44 44 THR HA H 44 4.315 4.315 4.380 -0.065 25600 2347 1 6 . 1 1 44 44 THR CA C 44 61.651 61.651 62.048 -0.397 25600 2348 1 6 . 1 1 44 44 THR CB C 44 68.890 68.890 68.616 0.274 25600 2349 1 6 . 1 1 44 44 THR H H 44 8.787 8.787 8.701 0.086 25600 2350 1 6 . 1 1 45 45 TRP N N 45 132.098 132.098 125.554 6.544 25600 2351 1 6 . 1 1 45 45 TRP HA H 45 5.245 5.245 5.280 -0.035 25600 2352 1 6 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.513 0.874 25600 2353 1 6 . 1 1 45 45 TRP CB C 45 30.077 30.077 31.402 -1.325 25600 2354 1 6 . 1 1 45 45 TRP H H 45 10.351 10.351 7.758 2.593 25600 2355 1 6 . 1 1 46 46 ASP N N 46 121.897 121.897 120.725 1.172 25600 2356 1 6 . 1 1 46 46 ASP HA H 46 4.857 4.857 4.882 -0.025 25600 2357 1 6 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.608 -0.811 25600 2358 1 6 . 1 1 46 46 ASP CB C 46 45.075 45.075 44.882 0.193 25600 2359 1 6 . 1 1 46 46 ASP H H 46 9.471 9.471 8.367 1.104 25600 2360 1 6 . 1 1 47 47 SER N N 47 113.805 113.805 116.731 -2.926 25600 2361 1 6 . 1 1 47 47 SER HA H 47 5.043 5.043 5.167 -0.124 25600 2362 1 6 . 1 1 47 47 SER CA C 47 53.059 53.059 56.693 -3.634 25600 2363 1 6 . 1 1 47 47 SER CB C 47 64.880 64.880 64.693 0.187 25600 2364 1 6 . 1 1 47 47 SER H H 47 8.502 8.502 8.469 0.033 25600 2365 1 6 . 1 1 48 48 SER N N 48 119.614 119.614 121.539 -1.925 25600 2366 1 6 . 1 1 48 48 SER HA H 48 4.264 4.264 4.292 -0.028 25600 2367 1 6 . 1 1 48 48 SER CA C 48 59.404 59.404 59.929 -0.525 25600 2368 1 6 . 1 1 48 48 SER CB C 48 62.026 62.026 63.571 -1.545 25600 2369 1 6 . 1 1 48 48 SER H H 48 8.517 8.517 8.705 -0.188 25600 2370 1 6 . 1 1 49 49 ASN N N 49 118.260 118.260 116.228 2.032 25600 2371 1 6 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.508 0.390 25600 2372 1 6 . 1 1 49 49 ASN CA C 49 52.841 52.841 53.913 -1.073 25600 2373 1 6 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.618 -0.898 25600 2374 1 6 . 1 1 49 49 ASN H H 49 7.816 7.816 7.648 0.168 25600 2375 1 6 . 1 1 50 50 THR N N 50 119.288 119.288 118.452 0.836 25600 2376 1 6 . 1 1 50 50 THR HA H 50 4.541 4.541 4.382 0.159 25600 2377 1 6 . 1 1 50 50 THR CA C 50 62.137 62.137 65.006 -2.869 25600 2378 1 6 . 1 1 50 50 THR CB C 50 67.100 67.100 69.773 -2.673 25600 2379 1 6 . 1 1 50 50 THR H H 50 9.049 9.049 8.496 0.553 25600 2380 1 6 . 1 1 51 51 ASP N N 51 118.825 118.825 118.634 0.191 25600 2381 1 6 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.743 -0.157 25600 2382 1 6 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.867 -0.177 25600 2383 1 6 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.670 -3.012 25600 2384 1 6 . 1 1 51 51 ASP H H 51 8.251 8.251 8.137 0.114 25600 2385 1 6 . 1 1 52 52 ILE N N 52 118.411 118.411 118.945 -0.534 25600 2386 1 6 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.257 -0.332 25600 2387 1 6 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.389 0.292 25600 2388 1 6 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.226 -0.330 25600 2389 1 6 . 1 1 52 52 ILE H H 52 7.169 7.169 7.716 -0.547 25600 2390 1 6 . 1 1 53 53 LEU N N 53 120.126 120.126 125.879 -5.753 25600 2391 1 6 . 1 1 53 53 LEU HA H 53 5.021 5.021 4.929 0.092 25600 2392 1 6 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.796 -0.515 25600 2393 1 6 . 1 1 53 53 LEU CB C 53 46.405 46.405 44.435 1.970 25600 2394 1 6 . 1 1 53 53 LEU H H 53 7.876 7.876 7.985 -0.109 25600 2395 1 6 . 1 1 54 54 SER N N 54 122.252 122.252 116.120 6.132 25600 2396 1 6 . 1 1 54 54 SER HA H 54 4.959 4.959 4.882 0.077 25600 2397 1 6 . 1 1 54 54 SER CA C 54 54.724 54.724 56.768 -2.044 25600 2398 1 6 . 1 1 54 54 SER CB C 54 64.417 64.417 65.603 -1.185 25600 2399 1 6 . 1 1 54 54 SER H H 54 8.650 8.650 8.521 0.129 25600 2400 1 6 . 1 1 55 55 ILE N N 55 123.973 123.973 121.397 2.576 25600 2401 1 6 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.662 0.239 25600 2402 1 6 . 1 1 55 55 ILE CA C 55 58.868 58.868 60.187 -1.319 25600 2403 1 6 . 1 1 55 55 ILE CB C 55 41.418 41.418 40.172 1.246 25600 2404 1 6 . 1 1 55 55 ILE H H 55 9.081 9.081 8.395 0.686 25600 2405 1 6 . 1 1 56 56 SER N N 56 119.540 119.540 123.011 -3.471 25600 2406 1 6 . 1 1 56 56 SER HA H 56 4.387 4.387 4.799 -0.412 25600 2407 1 6 . 1 1 56 56 SER CA C 56 56.626 56.626 57.834 -1.208 25600 2408 1 6 . 1 1 56 56 SER CB C 56 63.106 63.106 64.966 -1.860 25600 2409 1 6 . 1 1 56 56 SER H H 56 7.905 7.905 8.792 -0.887 25600 2410 1 6 . 1 1 57 57 ASN N N 57 124.207 124.207 123.153 1.054 25600 2411 1 6 . 1 1 57 57 ASN HA H 57 5.019 5.019 5.123 -0.104 25600 2412 1 6 . 1 1 57 57 ASN CA C 57 52.469 52.469 51.505 0.964 25600 2413 1 6 . 1 1 57 57 ASN CB C 57 40.090 40.090 38.242 1.848 25600 2414 1 6 . 1 1 57 57 ASN H H 57 8.945 8.945 8.712 0.233 25600 2415 1 6 . 1 1 58 58 ALA N N 58 124.301 124.301 123.869 0.432 25600 2416 1 6 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.240 -0.107 25600 2417 1 6 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.371 -1.085 25600 2418 1 6 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.433 -1.079 25600 2419 1 6 . 1 1 58 58 ALA H H 58 8.150 8.150 8.332 -0.182 25600 2420 1 6 . 1 1 59 59 SER N N 59 113.299 113.299 114.800 -1.501 25600 2421 1 6 . 1 1 59 59 SER HA H 59 4.698 4.698 4.269 0.429 25600 2422 1 6 . 1 1 59 59 SER CA C 59 60.003 60.003 59.847 0.156 25600 2423 1 6 . 1 1 59 59 SER CB C 59 62.574 62.574 63.329 -0.755 25600 2424 1 6 . 1 1 59 59 SER H H 59 8.377 8.377 8.636 -0.259 25600 2425 1 6 . 1 1 60 60 ASP N N 60 116.275 116.275 120.477 -4.202 25600 2426 1 6 . 1 1 60 60 ASP HA H 60 4.661 4.661 4.532 0.129 25600 2427 1 6 . 1 1 60 60 ASP CA C 60 52.769 52.769 56.560 -3.791 25600 2428 1 6 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.135 -1.423 25600 2429 1 6 . 1 1 60 60 ASP H H 60 8.311 8.311 8.658 -0.347 25600 2430 1 6 . 1 1 61 61 SER N N 61 112.650 112.650 110.981 1.669 25600 2431 1 6 . 1 1 61 61 SER HA H 61 4.630 4.630 4.403 0.227 25600 2432 1 6 . 1 1 61 61 SER CA C 61 56.180 56.180 58.059 -1.879 25600 2433 1 6 . 1 1 61 61 SER CB C 61 61.843 61.843 63.879 -2.036 25600 2434 1 6 . 1 1 61 61 SER H H 61 7.588 7.588 8.220 -0.632 25600 2435 1 6 . 1 1 62 62 HIS N N 62 119.790 119.790 121.871 -2.081 25600 2436 1 6 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.771 -0.724 25600 2437 1 6 . 1 1 62 62 HIS CA C 62 56.919 56.919 56.615 0.304 25600 2438 1 6 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.702 -3.178 25600 2439 1 6 . 1 1 62 62 HIS H H 62 8.029 8.029 8.086 -0.057 25600 2440 1 6 . 1 1 63 63 GLY N N 63 113.301 113.301 109.848 3.453 25600 2441 1 6 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.834 -1.181 25600 2442 1 6 . 1 1 63 63 GLY H H 63 8.733 8.733 8.535 0.198 25600 2443 1 6 . 1 1 64 64 LEU N N 64 120.664 120.664 122.407 -1.743 25600 2444 1 6 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.015 -0.629 25600 2445 1 6 . 1 1 64 64 LEU CA C 64 54.893 54.893 53.655 1.238 25600 2446 1 6 . 1 1 64 64 LEU CB C 64 41.463 41.463 46.299 -4.836 25600 2447 1 6 . 1 1 64 64 LEU H H 64 7.679 7.679 8.849 -1.170 25600 2448 1 6 . 1 1 65 65 ALA N N 65 108.346 108.346 123.678 -15.332 25600 2449 1 6 . 1 1 65 65 ALA HA H 65 5.402 5.402 5.024 0.378 25600 2450 1 6 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.693 -1.426 25600 2451 1 6 . 1 1 65 65 ALA CB C 65 21.555 21.555 21.598 -0.043 25600 2452 1 6 . 1 1 65 65 ALA H H 65 9.874 9.874 8.807 1.067 25600 2453 1 6 . 1 1 66 66 SER N N 66 115.951 115.951 119.199 -3.248 25600 2454 1 6 . 1 1 66 66 SER HA H 66 4.909 4.909 5.414 -0.505 25600 2455 1 6 . 1 1 66 66 SER CA C 66 56.645 56.645 56.723 -0.078 25600 2456 1 6 . 1 1 66 66 SER CB C 66 63.823 63.823 64.843 -1.020 25600 2457 1 6 . 1 1 66 66 SER H H 66 8.938 8.938 8.761 0.177 25600 2458 1 6 . 1 1 67 67 THR N N 67 113.596 113.596 120.187 -6.591 25600 2459 1 6 . 1 1 67 67 THR HA H 67 4.649 4.649 4.742 -0.093 25600 2460 1 6 . 1 1 67 67 THR CA C 67 59.216 59.216 61.038 -1.822 25600 2461 1 6 . 1 1 67 67 THR CB C 67 69.006 69.006 71.281 -2.275 25600 2462 1 6 . 1 1 67 67 THR H H 67 8.258 8.258 8.657 -0.399 25600 2463 1 6 . 1 1 68 68 LEU N N 68 124.151 124.151 123.950 0.201 25600 2464 1 6 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.947 -0.591 25600 2465 1 6 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.269 0.843 25600 2466 1 6 . 1 1 68 68 LEU CB C 68 42.915 42.915 41.256 1.659 25600 2467 1 6 . 1 1 68 68 LEU H H 68 8.616 8.616 7.871 0.745 25600 2468 1 6 . 1 1 69 69 ASN N N 69 115.821 115.821 118.960 -3.139 25600 2469 1 6 . 1 1 69 69 ASN HA H 69 4.644 4.644 5.017 -0.373 25600 2470 1 6 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.853 -0.397 25600 2471 1 6 . 1 1 69 69 ASN CB C 69 42.306 42.306 41.028 1.278 25600 2472 1 6 . 1 1 69 69 ASN H H 69 7.965 7.965 7.792 0.173 25600 2473 1 6 . 1 1 70 70 GLN N N 70 114.564 114.564 116.095 -1.531 25600 2474 1 6 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.739 -0.814 25600 2475 1 6 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.164 0.073 25600 2476 1 6 . 1 1 70 70 GLN CB C 70 29.006 29.006 29.208 -0.202 25600 2477 1 6 . 1 1 70 70 GLN H H 70 8.287 8.287 8.449 -0.162 25600 2478 1 6 . 1 1 71 71 GLY N N 71 108.006 108.006 109.011 -1.005 25600 2479 1 6 . 1 1 71 71 GLY CA C 71 43.686 43.686 44.869 -1.183 25600 2480 1 6 . 1 1 71 71 GLY H H 71 8.520 8.520 8.074 0.446 25600 2481 1 6 . 1 1 72 72 ASN N N 72 117.785 117.785 118.870 -1.085 25600 2482 1 6 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.120 0.353 25600 2483 1 6 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.550 -0.859 25600 2484 1 6 . 1 1 72 72 ASN CB C 72 39.896 39.896 41.062 -1.166 25600 2485 1 6 . 1 1 72 72 ASN H H 72 8.420 8.420 8.433 -0.013 25600 2486 1 6 . 1 1 73 73 VAL N N 73 115.848 115.848 120.807 -4.959 25600 2487 1 6 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.409 0.122 25600 2488 1 6 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.590 -0.615 25600 2489 1 6 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.336 -0.157 25600 2490 1 6 . 1 1 73 73 VAL H H 73 8.990 8.990 9.138 -0.148 25600 2491 1 6 . 1 1 74 74 LYS N N 74 123.195 123.195 124.911 -1.716 25600 2492 1 6 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.679 0.477 25600 2493 1 6 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.663 -0.782 25600 2494 1 6 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.820 -0.223 25600 2495 1 6 . 1 1 74 74 LYS H H 74 8.715 8.715 8.586 0.129 25600 2496 1 6 . 1 1 75 75 VAL N N 75 129.522 129.522 127.673 1.849 25600 2497 1 6 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.792 -0.250 25600 2498 1 6 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.070 -0.254 25600 2499 1 6 . 1 1 75 75 VAL CB C 75 32.483 32.483 33.468 -0.985 25600 2500 1 6 . 1 1 75 75 VAL H H 75 8.975 8.975 8.463 0.513 25600 2501 1 6 . 1 1 76 76 THR N N 76 120.548 120.548 118.614 1.934 25600 2502 1 6 . 1 1 76 76 THR HA H 76 5.066 5.066 4.863 0.203 25600 2503 1 6 . 1 1 76 76 THR CA C 76 59.783 59.783 59.714 0.069 25600 2504 1 6 . 1 1 76 76 THR CB C 76 70.733 70.733 71.353 -0.620 25600 2505 1 6 . 1 1 76 76 THR H H 76 8.650 8.650 8.251 0.399 25600 2506 1 6 . 1 1 77 77 ALA N N 77 126.454 126.454 123.529 2.925 25600 2507 1 6 . 1 1 77 77 ALA HA H 77 4.380 4.380 4.980 -0.600 25600 2508 1 6 . 1 1 77 77 ALA CA C 77 48.430 48.430 51.156 -2.726 25600 2509 1 6 . 1 1 77 77 ALA CB C 77 20.544 20.544 21.919 -1.375 25600 2510 1 6 . 1 1 77 77 ALA H H 77 8.674 8.674 8.503 0.171 25600 2511 1 6 . 1 1 78 78 SER N N 78 113.568 113.568 116.892 -3.324 25600 2512 1 6 . 1 1 78 78 SER HA H 78 5.376 5.376 4.843 0.533 25600 2513 1 6 . 1 1 78 78 SER CA C 78 56.077 56.077 57.540 -1.463 25600 2514 1 6 . 1 1 78 78 SER CB C 78 65.730 65.730 66.181 -0.451 25600 2515 1 6 . 1 1 78 78 SER H H 78 8.117 8.117 8.467 -0.350 25600 2516 1 6 . 1 1 79 79 ILE N N 79 121.071 121.071 124.016 -2.945 25600 2517 1 6 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.430 -0.289 25600 2518 1 6 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.590 0.534 25600 2519 1 6 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.910 -2.102 25600 2520 1 6 . 1 1 79 79 ILE H H 79 8.446 8.446 7.700 0.746 25600 2521 1 6 . 1 1 80 80 GLY N N 80 117.157 117.157 116.036 1.121 25600 2522 1 6 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.657 -0.651 25600 2523 1 6 . 1 1 80 80 GLY H H 80 8.899 8.899 8.770 0.129 25600 2524 1 6 . 1 1 81 81 GLY N N 81 110.716 110.716 111.339 -0.623 25600 2525 1 6 . 1 1 81 81 GLY CA C 81 44.378 44.378 45.163 -0.785 25600 2526 1 6 . 1 1 81 81 GLY H H 81 8.742 8.742 7.928 0.814 25600 2527 1 6 . 1 1 82 82 ILE N N 82 124.112 124.112 122.178 1.934 25600 2528 1 6 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.057 0.143 25600 2529 1 6 . 1 1 82 82 ILE CA C 82 59.033 59.033 60.802 -1.769 25600 2530 1 6 . 1 1 82 82 ILE CB C 82 36.777 36.777 37.975 -1.198 25600 2531 1 6 . 1 1 82 82 ILE H H 82 8.188 8.188 7.994 0.194 25600 2532 1 6 . 1 1 83 83 GLN N N 83 122.453 122.453 121.056 1.397 25600 2533 1 6 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.703 0.692 25600 2534 1 6 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.441 -1.421 25600 2535 1 6 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.962 -0.447 25600 2536 1 6 . 1 1 83 83 GLN H H 83 8.423 8.423 8.219 0.204 25600 2537 1 6 . 1 1 84 84 GLY N N 84 111.437 111.437 107.423 4.014 25600 2538 1 6 . 1 1 84 84 GLY CA C 84 43.698 43.698 45.488 -1.790 25600 2539 1 6 . 1 1 84 84 GLY H H 84 8.931 8.931 8.259 0.672 25600 2540 1 6 . 1 1 85 85 SER N N 85 113.877 113.877 115.118 -1.241 25600 2541 1 6 . 1 1 85 85 SER HA H 85 5.841 5.841 4.924 0.917 25600 2542 1 6 . 1 1 85 85 SER CA C 85 56.264 56.264 57.001 -0.737 25600 2543 1 6 . 1 1 85 85 SER CB C 85 66.946 66.946 65.951 0.995 25600 2544 1 6 . 1 1 85 85 SER H H 85 8.710 8.710 8.328 0.382 25600 2545 1 6 . 1 1 86 86 THR N N 86 115.389 115.389 116.745 -1.356 25600 2546 1 6 . 1 1 86 86 THR HA H 86 4.772 4.772 4.711 0.061 25600 2547 1 6 . 1 1 86 86 THR CA C 86 60.313 60.313 61.162 -0.849 25600 2548 1 6 . 1 1 86 86 THR CB C 86 69.953 69.953 71.980 -2.027 25600 2549 1 6 . 1 1 86 86 THR H H 86 8.854 8.854 9.033 -0.179 25600 2550 1 6 . 1 1 87 87 ASP N N 87 124.623 124.623 122.246 2.377 25600 2551 1 6 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.932 0.504 25600 2552 1 6 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.659 0.137 25600 2553 1 6 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.818 -0.808 25600 2554 1 6 . 1 1 87 87 ASP H H 87 7.953 7.953 8.654 -0.701 25600 2555 1 6 . 1 1 88 88 PHE N N 88 123.577 123.577 124.522 -0.945 25600 2556 1 6 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.138 -0.207 25600 2557 1 6 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.450 0.518 25600 2558 1 6 . 1 1 88 88 PHE CB C 88 42.884 42.884 42.781 0.103 25600 2559 1 6 . 1 1 88 88 PHE H H 88 9.094 9.094 8.594 0.500 25600 2560 1 6 . 1 1 89 89 LYS N N 89 126.965 126.965 126.754 0.211 25600 2561 1 6 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.939 0.099 25600 2562 1 6 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.339 -1.450 25600 2563 1 6 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.134 -0.465 25600 2564 1 6 . 1 1 89 89 LYS H H 89 7.269 7.269 8.171 -0.902 25600 2565 1 6 . 1 1 90 90 VAL N N 90 126.148 126.148 128.734 -2.586 25600 2566 1 6 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.206 -0.195 25600 2567 1 6 . 1 1 90 90 VAL CA C 90 59.547 59.547 59.626 -0.079 25600 2568 1 6 . 1 1 90 90 VAL CB C 90 30.948 30.948 35.138 -4.190 25600 2569 1 6 . 1 1 90 90 VAL H H 90 9.086 9.086 8.579 0.507 25600 2570 1 6 . 1 1 91 91 THR N N 91 120.506 120.506 121.881 -1.375 25600 2571 1 6 . 1 1 91 91 THR HA H 91 4.568 4.568 4.683 -0.115 25600 2572 1 6 . 1 1 91 91 THR CA C 91 59.348 59.348 60.184 -0.836 25600 2573 1 6 . 1 1 91 91 THR CB C 91 68.970 68.970 71.871 -2.901 25600 2574 1 6 . 1 1 91 91 THR H H 91 8.757 8.757 7.985 0.772 25600 2575 1 7 . 1 1 2 2 PRO HA H 2 4.277 4.277 4.583 -0.306 25600 2576 1 7 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.604 -1.383 25600 2577 1 7 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.240 -0.824 25600 2578 1 7 . 1 1 3 3 ALA N N 3 123.804 123.804 124.026 -0.222 25600 2579 1 7 . 1 1 3 3 ALA HA H 3 4.206 4.206 3.986 0.220 25600 2580 1 7 . 1 1 3 3 ALA CA C 3 51.395 51.395 52.182 -0.787 25600 2581 1 7 . 1 1 3 3 ALA CB C 3 18.840 18.840 18.767 0.073 25600 2582 1 7 . 1 1 3 3 ALA H H 3 8.647 8.647 7.946 0.701 25600 2583 1 7 . 1 1 4 4 ALA N N 4 124.059 124.059 121.818 2.241 25600 2584 1 7 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.671 0.038 25600 2585 1 7 . 1 1 4 4 ALA CA C 4 50.022 50.022 51.108 -1.086 25600 2586 1 7 . 1 1 4 4 ALA CB C 4 19.897 19.897 20.908 -1.011 25600 2587 1 7 . 1 1 4 4 ALA H H 4 8.239 8.239 8.218 0.021 25600 2588 1 7 . 1 1 5 5 LEU N N 5 124.019 124.019 124.181 -0.162 25600 2589 1 7 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.352 -0.980 25600 2590 1 7 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.844 -1.837 25600 2591 1 7 . 1 1 5 5 LEU CB C 5 41.242 41.242 41.998 -0.756 25600 2592 1 7 . 1 1 5 5 LEU H H 5 8.560 8.560 8.858 -0.298 25600 2593 1 7 . 1 1 6 6 VAL N N 6 123.356 123.356 119.535 3.821 25600 2594 1 7 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.345 -0.248 25600 2595 1 7 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.131 0.209 25600 2596 1 7 . 1 1 6 6 VAL CB C 6 32.948 32.948 34.045 -1.097 25600 2597 1 7 . 1 1 6 6 VAL H H 6 9.119 9.119 8.420 0.699 25600 2598 1 7 . 1 1 7 7 SER N N 7 112.134 112.134 113.661 -1.527 25600 2599 1 7 . 1 1 7 7 SER HA H 7 4.445 4.445 4.785 -0.340 25600 2600 1 7 . 1 1 7 7 SER CA C 7 56.349 56.349 57.331 -0.982 25600 2601 1 7 . 1 1 7 7 SER CB C 7 64.361 64.361 66.234 -1.873 25600 2602 1 7 . 1 1 7 7 SER H H 7 7.680 7.680 7.689 -0.009 25600 2603 1 7 . 1 1 8 8 ILE N N 8 118.674 118.674 116.166 2.508 25600 2604 1 7 . 1 1 8 8 ILE HA H 8 4.673 4.673 4.928 -0.255 25600 2605 1 7 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.807 -0.661 25600 2606 1 7 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.320 -0.646 25600 2607 1 7 . 1 1 8 8 ILE H H 8 8.354 8.354 8.178 0.176 25600 2608 1 7 . 1 1 9 9 SER N N 9 121.318 121.318 121.603 -0.285 25600 2609 1 7 . 1 1 9 9 SER HA H 9 4.863 4.863 4.852 0.011 25600 2610 1 7 . 1 1 9 9 SER CA C 9 55.381 55.381 57.520 -2.139 25600 2611 1 7 . 1 1 9 9 SER CB C 9 64.243 64.243 63.469 0.774 25600 2612 1 7 . 1 1 9 9 SER H H 9 9.028 9.028 8.595 0.433 25600 2613 1 7 . 1 1 10 10 VAL N N 10 127.509 127.509 121.144 6.365 25600 2614 1 7 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.873 0.177 25600 2615 1 7 . 1 1 10 10 VAL CA C 10 60.912 60.912 59.525 1.387 25600 2616 1 7 . 1 1 10 10 VAL CB C 10 33.387 33.387 34.080 -0.693 25600 2617 1 7 . 1 1 10 10 VAL H H 10 8.911 8.911 8.371 0.540 25600 2618 1 7 . 1 1 11 11 SER N N 11 121.861 121.861 122.157 -0.296 25600 2619 1 7 . 1 1 11 11 SER CB C 11 64.373 64.373 63.135 1.238 25600 2620 1 7 . 1 1 11 11 SER H H 11 9.205 9.205 8.362 0.843 25600 2621 1 7 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.675 0.029 25600 2622 1 7 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.882 -1.983 25600 2623 1 7 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.155 1.934 25600 2624 1 7 . 1 1 13 13 THR N N 13 116.138 116.138 116.747 -0.609 25600 2625 1 7 . 1 1 13 13 THR HA H 13 4.770 4.770 4.468 0.301 25600 2626 1 7 . 1 1 13 13 THR CA C 13 60.153 60.153 61.107 -0.954 25600 2627 1 7 . 1 1 13 13 THR CB C 13 69.426 69.426 70.521 -1.095 25600 2628 1 7 . 1 1 13 13 THR H H 13 8.679 8.679 8.341 0.338 25600 2629 1 7 . 1 1 14 14 ASN N N 14 124.457 124.457 125.558 -1.101 25600 2630 1 7 . 1 1 14 14 ASN HA H 14 4.695 4.695 5.091 -0.396 25600 2631 1 7 . 1 1 14 14 ASN CA C 14 53.128 53.128 53.020 0.108 25600 2632 1 7 . 1 1 14 14 ASN CB C 14 36.593 36.593 39.588 -2.995 25600 2633 1 7 . 1 1 14 14 ASN H H 14 8.710 8.710 8.684 0.026 25600 2634 1 7 . 1 1 15 15 SER N N 15 113.673 113.673 119.120 -5.447 25600 2635 1 7 . 1 1 15 15 SER HA H 15 4.648 4.648 4.609 0.039 25600 2636 1 7 . 1 1 15 15 SER CA C 15 55.644 55.644 57.407 -1.763 25600 2637 1 7 . 1 1 15 15 SER CB C 15 63.953 63.953 64.823 -0.870 25600 2638 1 7 . 1 1 15 15 SER H H 15 9.127 9.127 8.033 1.094 25600 2639 1 7 . 1 1 16 16 THR N N 16 113.579 113.579 112.565 1.014 25600 2640 1 7 . 1 1 16 16 THR HA H 16 4.976 4.976 4.744 0.233 25600 2641 1 7 . 1 1 16 16 THR CA C 16 58.445 58.445 60.646 -2.201 25600 2642 1 7 . 1 1 16 16 THR CB C 16 70.534 70.534 70.422 0.112 25600 2643 1 7 . 1 1 16 16 THR H H 16 7.962 7.962 8.125 -0.163 25600 2644 1 7 . 1 1 17 17 VAL N N 17 121.479 121.479 118.919 2.560 25600 2645 1 7 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.422 -0.102 25600 2646 1 7 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.222 0.715 25600 2647 1 7 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.265 0.139 25600 2648 1 7 . 1 1 17 17 VAL H H 17 7.969 7.969 8.144 -0.175 25600 2649 1 7 . 1 1 18 18 ALA N N 18 126.014 126.014 125.378 0.636 25600 2650 1 7 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.348 -0.173 25600 2651 1 7 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.519 -0.556 25600 2652 1 7 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.586 -0.664 25600 2653 1 7 . 1 1 18 18 ALA H H 18 7.756 7.756 8.210 -0.454 25600 2654 1 7 . 1 1 19 19 LYS N N 19 119.741 119.741 122.937 -3.196 25600 2655 1 7 . 1 1 19 19 LYS HA H 19 3.487 3.487 3.936 -0.449 25600 2656 1 7 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.364 0.409 25600 2657 1 7 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.534 -0.932 25600 2658 1 7 . 1 1 19 19 LYS H H 19 7.893 7.893 8.284 -0.391 25600 2659 1 7 . 1 1 20 20 GLY N N 20 116.709 116.709 114.785 1.924 25600 2660 1 7 . 1 1 20 20 GLY CA C 20 43.763 43.763 44.948 -1.185 25600 2661 1 7 . 1 1 20 20 GLY H H 20 8.615 8.615 8.453 0.162 25600 2662 1 7 . 1 1 21 21 LEU N N 21 123.004 123.004 123.564 -0.560 25600 2663 1 7 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.610 -0.022 25600 2664 1 7 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.750 -1.385 25600 2665 1 7 . 1 1 21 21 LEU CB C 21 40.962 40.962 45.232 -4.270 25600 2666 1 7 . 1 1 21 21 LEU H H 21 8.013 8.013 7.871 0.142 25600 2667 1 7 . 1 1 22 22 GLN N N 22 117.504 117.504 118.466 -0.962 25600 2668 1 7 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.420 -0.292 25600 2669 1 7 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.176 -0.507 25600 2670 1 7 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.383 -0.469 25600 2671 1 7 . 1 1 22 22 GLN H H 22 8.223 8.223 8.269 -0.046 25600 2672 1 7 . 1 1 23 23 GLU N N 23 118.125 118.125 121.847 -3.722 25600 2673 1 7 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.579 -0.016 25600 2674 1 7 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.779 -2.912 25600 2675 1 7 . 1 1 23 23 GLU CB C 23 32.874 32.874 32.958 -0.084 25600 2676 1 7 . 1 1 23 23 GLU H H 23 8.188 8.188 8.513 -0.325 25600 2677 1 7 . 1 1 24 24 ASN N N 24 125.841 125.841 124.425 1.416 25600 2678 1 7 . 1 1 24 24 ASN HA H 24 4.778 4.778 4.866 -0.088 25600 2679 1 7 . 1 1 24 24 ASN CA C 24 52.511 52.511 53.133 -0.622 25600 2680 1 7 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.692 0.054 25600 2681 1 7 . 1 1 24 24 ASN H H 24 9.391 9.391 8.638 0.753 25600 2682 1 7 . 1 1 25 25 PHE N N 25 122.823 122.823 126.060 -3.237 25600 2683 1 7 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.745 -0.094 25600 2684 1 7 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.708 0.415 25600 2685 1 7 . 1 1 25 25 PHE CB C 25 39.059 39.059 42.913 -3.854 25600 2686 1 7 . 1 1 25 25 PHE H H 25 8.062 8.062 8.526 -0.464 25600 2687 1 7 . 1 1 26 26 LYS N N 26 119.114 119.114 123.684 -4.570 25600 2688 1 7 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.323 0.921 25600 2689 1 7 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.472 -2.496 25600 2690 1 7 . 1 1 26 26 LYS CB C 26 34.661 34.661 34.950 -0.289 25600 2691 1 7 . 1 1 26 26 LYS H H 26 9.255 9.255 7.980 1.275 25600 2692 1 7 . 1 1 27 27 ALA N N 27 125.586 125.586 128.612 -3.026 25600 2693 1 7 . 1 1 27 27 ALA HA H 27 5.262 5.262 4.754 0.508 25600 2694 1 7 . 1 1 27 27 ALA CA C 27 48.817 48.817 50.775 -1.958 25600 2695 1 7 . 1 1 27 27 ALA CB C 27 21.160 21.160 21.886 -0.726 25600 2696 1 7 . 1 1 27 27 ALA H H 27 9.120 9.120 8.726 0.394 25600 2697 1 7 . 1 1 28 28 THR N N 28 120.627 120.627 119.949 0.678 25600 2698 1 7 . 1 1 28 28 THR HA H 28 4.837 4.837 4.656 0.181 25600 2699 1 7 . 1 1 28 28 THR CA C 28 60.566 60.566 60.862 -0.296 25600 2700 1 7 . 1 1 28 28 THR CB C 28 69.478 69.478 70.663 -1.185 25600 2701 1 7 . 1 1 28 28 THR H H 28 9.062 9.062 8.247 0.815 25600 2702 1 7 . 1 1 29 29 GLY N N 29 115.788 115.788 113.571 2.217 25600 2703 1 7 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.533 0.783 25600 2704 1 7 . 1 1 29 29 GLY H H 29 9.663 9.663 8.875 0.788 25600 2705 1 7 . 1 1 30 30 ILE N N 30 123.085 123.085 122.405 0.680 25600 2706 1 7 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.414 0.364 25600 2707 1 7 . 1 1 30 30 ILE CA C 30 59.388 59.388 58.571 0.818 25600 2708 1 7 . 1 1 30 30 ILE CB C 30 36.883 36.883 40.799 -3.916 25600 2709 1 7 . 1 1 30 30 ILE H H 30 7.914 7.914 8.474 -0.560 25600 2710 1 7 . 1 1 31 31 PHE N N 31 125.209 125.209 122.135 3.074 25600 2711 1 7 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.214 0.156 25600 2712 1 7 . 1 1 31 31 PHE CA C 31 56.487 56.487 55.854 0.633 25600 2713 1 7 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.354 -1.201 25600 2714 1 7 . 1 1 31 31 PHE H H 31 8.316 8.316 8.431 -0.115 25600 2715 1 7 . 1 1 32 32 THR N N 32 113.843 113.843 116.399 -2.556 25600 2716 1 7 . 1 1 32 32 THR HA H 32 4.404 4.404 4.185 0.219 25600 2717 1 7 . 1 1 32 32 THR CA C 32 64.157 64.157 64.531 -0.374 25600 2718 1 7 . 1 1 32 32 THR CB C 32 68.540 68.540 68.804 -0.264 25600 2719 1 7 . 1 1 32 32 THR H H 32 9.335 9.335 8.924 0.411 25600 2720 1 7 . 1 1 33 33 ASP N N 33 118.800 118.800 120.186 -1.386 25600 2721 1 7 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.685 -0.064 25600 2722 1 7 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.764 -1.801 25600 2723 1 7 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.469 -1.975 25600 2724 1 7 . 1 1 33 33 ASP H H 33 7.689 7.689 8.376 -0.687 25600 2725 1 7 . 1 1 34 34 ASN N N 34 112.995 112.995 113.046 -0.051 25600 2726 1 7 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.349 -0.001 25600 2727 1 7 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.633 -0.287 25600 2728 1 7 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.453 0.037 25600 2729 1 7 . 1 1 34 34 ASN H H 34 8.370 8.370 8.049 0.321 25600 2730 1 7 . 1 1 35 35 SER N N 35 115.545 115.545 115.031 0.514 25600 2731 1 7 . 1 1 35 35 SER HA H 35 4.413 4.413 4.690 -0.277 25600 2732 1 7 . 1 1 35 35 SER CA C 35 57.882 57.882 56.980 0.902 25600 2733 1 7 . 1 1 35 35 SER CB C 35 63.770 63.770 63.972 -0.202 25600 2734 1 7 . 1 1 35 35 SER H H 35 7.990 7.990 8.027 -0.037 25600 2735 1 7 . 1 1 36 36 ASN N N 36 116.053 116.053 125.253 -9.200 25600 2736 1 7 . 1 1 36 36 ASN HA H 36 2.890 2.890 5.091 -2.201 25600 2737 1 7 . 1 1 36 36 ASN CA C 36 50.674 50.674 53.430 -2.756 25600 2738 1 7 . 1 1 36 36 ASN CB C 36 41.799 41.799 39.715 2.084 25600 2739 1 7 . 1 1 36 36 ASN H H 36 8.518 8.518 8.732 -0.214 25600 2740 1 7 . 1 1 37 37 SER N N 37 113.191 113.191 116.051 -2.860 25600 2741 1 7 . 1 1 37 37 SER HA H 37 4.715 4.715 4.771 -0.056 25600 2742 1 7 . 1 1 37 37 SER CA C 37 56.801 56.801 57.194 -0.393 25600 2743 1 7 . 1 1 37 37 SER CB C 37 64.872 64.872 66.216 -1.344 25600 2744 1 7 . 1 1 37 37 SER H H 37 8.667 8.667 8.223 0.444 25600 2745 1 7 . 1 1 38 38 ASP N N 38 123.962 123.962 121.624 2.338 25600 2746 1 7 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.725 0.262 25600 2747 1 7 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.450 0.751 25600 2748 1 7 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.605 -1.676 25600 2749 1 7 . 1 1 38 38 ASP H H 38 8.848 8.848 8.501 0.347 25600 2750 1 7 . 1 1 39 39 ILE N N 39 121.216 121.216 124.373 -3.157 25600 2751 1 7 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.771 1.100 25600 2752 1 7 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.231 -2.524 25600 2753 1 7 . 1 1 39 39 ILE CB C 39 37.086 37.086 37.510 -0.424 25600 2754 1 7 . 1 1 39 39 ILE H H 39 8.815 8.815 8.345 0.470 25600 2755 1 7 . 1 1 40 40 THR N N 40 122.867 122.867 115.836 7.031 25600 2756 1 7 . 1 1 40 40 THR HA H 40 4.288 4.288 4.179 0.109 25600 2757 1 7 . 1 1 40 40 THR CB C 40 68.527 68.527 69.020 -0.493 25600 2758 1 7 . 1 1 40 40 THR H H 40 8.679 8.679 8.223 0.456 25600 2759 1 7 . 1 1 41 41 ASP N N 41 114.081 114.081 119.434 -5.353 25600 2760 1 7 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.840 -1.142 25600 2761 1 7 . 1 1 41 41 ASP CA C 41 53.478 53.478 53.874 -0.396 25600 2762 1 7 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.644 -1.926 25600 2763 1 7 . 1 1 41 41 ASP H H 41 8.539 8.539 8.373 0.166 25600 2764 1 7 . 1 1 42 42 GLN N N 42 117.087 117.087 116.170 0.917 25600 2765 1 7 . 1 1 42 42 GLN HA H 42 4.151 4.151 3.884 0.267 25600 2766 1 7 . 1 1 42 42 GLN CA C 42 55.536 55.536 55.913 -0.377 25600 2767 1 7 . 1 1 42 42 GLN CB C 42 30.216 30.216 26.941 3.276 25600 2768 1 7 . 1 1 42 42 GLN H H 42 7.718 7.718 7.282 0.436 25600 2769 1 7 . 1 1 43 43 VAL N N 43 109.916 109.916 120.663 -10.747 25600 2770 1 7 . 1 1 43 43 VAL HA H 43 4.089 4.089 3.962 0.127 25600 2771 1 7 . 1 1 43 43 VAL CA C 43 58.840 58.840 62.289 -3.449 25600 2772 1 7 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.365 -1.092 25600 2773 1 7 . 1 1 43 43 VAL H H 43 6.902 6.902 7.714 -0.812 25600 2774 1 7 . 1 1 44 44 THR N N 44 116.272 116.272 125.396 -9.124 25600 2775 1 7 . 1 1 44 44 THR HA H 44 4.315 4.315 4.088 0.227 25600 2776 1 7 . 1 1 44 44 THR CA C 44 61.651 61.651 60.059 1.592 25600 2777 1 7 . 1 1 44 44 THR CB C 44 68.890 68.890 69.553 -0.663 25600 2778 1 7 . 1 1 44 44 THR H H 44 8.787 8.787 7.789 0.998 25600 2779 1 7 . 1 1 45 45 TRP N N 45 132.098 132.098 126.991 5.107 25600 2780 1 7 . 1 1 45 45 TRP HA H 45 5.245 5.245 5.276 -0.031 25600 2781 1 7 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.245 1.142 25600 2782 1 7 . 1 1 45 45 TRP CB C 45 30.077 30.077 31.021 -0.944 25600 2783 1 7 . 1 1 45 45 TRP H H 45 10.351 10.351 7.694 2.657 25600 2784 1 7 . 1 1 46 46 ASP N N 46 121.897 121.897 124.021 -2.124 25600 2785 1 7 . 1 1 46 46 ASP HA H 46 4.857 4.857 5.059 -0.202 25600 2786 1 7 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.587 -0.790 25600 2787 1 7 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.556 -0.481 25600 2788 1 7 . 1 1 46 46 ASP H H 46 9.471 9.471 8.998 0.473 25600 2789 1 7 . 1 1 47 47 SER N N 47 113.805 113.805 117.223 -3.418 25600 2790 1 7 . 1 1 47 47 SER HA H 47 5.043 5.043 5.043 -0.000 25600 2791 1 7 . 1 1 47 47 SER CA C 47 53.059 53.059 57.083 -4.024 25600 2792 1 7 . 1 1 47 47 SER CB C 47 64.880 64.880 65.108 -0.228 25600 2793 1 7 . 1 1 47 47 SER H H 47 8.502 8.502 8.545 -0.043 25600 2794 1 7 . 1 1 48 48 SER N N 48 119.614 119.614 118.745 0.869 25600 2795 1 7 . 1 1 48 48 SER HA H 48 4.264 4.264 4.178 0.086 25600 2796 1 7 . 1 1 48 48 SER CA C 48 59.404 59.404 59.875 -0.471 25600 2797 1 7 . 1 1 48 48 SER CB C 48 62.026 62.026 63.385 -1.359 25600 2798 1 7 . 1 1 48 48 SER H H 48 8.517 8.517 8.472 0.045 25600 2799 1 7 . 1 1 49 49 ASN N N 49 118.260 118.260 116.095 2.165 25600 2800 1 7 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.639 0.259 25600 2801 1 7 . 1 1 49 49 ASN CA C 49 52.841 52.841 53.955 -1.114 25600 2802 1 7 . 1 1 49 49 ASN CB C 49 37.720 37.720 39.080 -1.359 25600 2803 1 7 . 1 1 49 49 ASN H H 49 7.816 7.816 8.055 -0.239 25600 2804 1 7 . 1 1 50 50 THR N N 50 119.288 119.288 117.421 1.867 25600 2805 1 7 . 1 1 50 50 THR HA H 50 4.541 4.541 4.525 0.016 25600 2806 1 7 . 1 1 50 50 THR CA C 50 62.137 62.137 63.824 -1.687 25600 2807 1 7 . 1 1 50 50 THR CB C 50 67.100 67.100 69.383 -2.283 25600 2808 1 7 . 1 1 50 50 THR H H 50 9.049 9.049 8.248 0.801 25600 2809 1 7 . 1 1 51 51 ASP N N 51 118.825 118.825 119.680 -0.855 25600 2810 1 7 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.793 -0.207 25600 2811 1 7 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.602 0.088 25600 2812 1 7 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.578 -2.920 25600 2813 1 7 . 1 1 51 51 ASP H H 51 8.251 8.251 8.422 -0.171 25600 2814 1 7 . 1 1 52 52 ILE N N 52 118.411 118.411 122.034 -3.623 25600 2815 1 7 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.424 -0.499 25600 2816 1 7 . 1 1 52 52 ILE CA C 52 61.681 61.681 60.423 1.258 25600 2817 1 7 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.137 -0.241 25600 2818 1 7 . 1 1 52 52 ILE H H 52 7.169 7.169 8.281 -1.112 25600 2819 1 7 . 1 1 53 53 LEU N N 53 120.126 120.126 123.631 -3.505 25600 2820 1 7 . 1 1 53 53 LEU HA H 53 5.021 5.021 5.118 -0.097 25600 2821 1 7 . 1 1 53 53 LEU CA C 53 53.281 53.281 54.341 -1.060 25600 2822 1 7 . 1 1 53 53 LEU CB C 53 46.405 46.405 44.983 1.422 25600 2823 1 7 . 1 1 53 53 LEU H H 53 7.876 7.876 8.148 -0.272 25600 2824 1 7 . 1 1 54 54 SER N N 54 122.252 122.252 116.551 5.701 25600 2825 1 7 . 1 1 54 54 SER HA H 54 4.959 4.959 4.896 0.063 25600 2826 1 7 . 1 1 54 54 SER CA C 54 54.724 54.724 57.013 -2.289 25600 2827 1 7 . 1 1 54 54 SER CB C 54 64.417 64.417 66.903 -2.486 25600 2828 1 7 . 1 1 54 54 SER H H 54 8.650 8.650 8.673 -0.023 25600 2829 1 7 . 1 1 55 55 ILE N N 55 123.973 123.973 124.238 -0.265 25600 2830 1 7 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.381 0.520 25600 2831 1 7 . 1 1 55 55 ILE CA C 55 58.868 58.868 60.227 -1.359 25600 2832 1 7 . 1 1 55 55 ILE CB C 55 41.418 41.418 40.938 0.480 25600 2833 1 7 . 1 1 55 55 ILE H H 55 9.081 9.081 8.563 0.518 25600 2834 1 7 . 1 1 56 56 SER N N 56 119.540 119.540 123.933 -4.393 25600 2835 1 7 . 1 1 56 56 SER HA H 56 4.387 4.387 4.917 -0.530 25600 2836 1 7 . 1 1 56 56 SER CA C 56 56.626 56.626 57.440 -0.814 25600 2837 1 7 . 1 1 56 56 SER CB C 56 63.106 63.106 65.469 -2.363 25600 2838 1 7 . 1 1 56 56 SER H H 56 7.905 7.905 8.770 -0.865 25600 2839 1 7 . 1 1 57 57 ASN N N 57 124.207 124.207 121.049 3.158 25600 2840 1 7 . 1 1 57 57 ASN HA H 57 5.019 5.019 5.165 -0.146 25600 2841 1 7 . 1 1 57 57 ASN CA C 57 52.469 52.469 52.449 0.020 25600 2842 1 7 . 1 1 57 57 ASN CB C 57 40.090 40.090 40.199 -0.109 25600 2843 1 7 . 1 1 57 57 ASN H H 57 8.945 8.945 8.890 0.055 25600 2844 1 7 . 1 1 58 58 ALA N N 58 124.301 124.301 121.633 2.668 25600 2845 1 7 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.106 0.027 25600 2846 1 7 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.769 -1.482 25600 2847 1 7 . 1 1 58 58 ALA CB C 58 18.354 18.354 18.659 -0.305 25600 2848 1 7 . 1 1 58 58 ALA H H 58 8.150 8.150 7.693 0.457 25600 2849 1 7 . 1 1 59 59 SER N N 59 113.299 113.299 114.784 -1.485 25600 2850 1 7 . 1 1 59 59 SER HA H 59 4.698 4.698 4.270 0.428 25600 2851 1 7 . 1 1 59 59 SER CA C 59 60.003 60.003 59.305 0.698 25600 2852 1 7 . 1 1 59 59 SER CB C 59 62.574 62.574 63.534 -0.960 25600 2853 1 7 . 1 1 59 59 SER H H 59 8.377 8.377 8.587 -0.210 25600 2854 1 7 . 1 1 60 60 ASP N N 60 116.275 116.275 122.033 -5.758 25600 2855 1 7 . 1 1 60 60 ASP HA H 60 4.661 4.661 4.580 0.081 25600 2856 1 7 . 1 1 60 60 ASP CA C 60 52.769 52.769 56.143 -3.374 25600 2857 1 7 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.340 -1.628 25600 2858 1 7 . 1 1 60 60 ASP H H 60 8.311 8.311 8.241 0.070 25600 2859 1 7 . 1 1 61 61 SER N N 61 112.650 112.650 109.646 3.004 25600 2860 1 7 . 1 1 61 61 SER HA H 61 4.630 4.630 4.429 0.201 25600 2861 1 7 . 1 1 61 61 SER CA C 61 56.180 56.180 58.760 -2.580 25600 2862 1 7 . 1 1 61 61 SER CB C 61 61.843 61.843 63.688 -1.845 25600 2863 1 7 . 1 1 61 61 SER H H 61 7.588 7.588 8.337 -0.749 25600 2864 1 7 . 1 1 62 62 HIS N N 62 119.790 119.790 123.743 -3.953 25600 2865 1 7 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.469 -0.422 25600 2866 1 7 . 1 1 62 62 HIS CA C 62 56.919 56.919 57.110 -0.191 25600 2867 1 7 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.388 -2.864 25600 2868 1 7 . 1 1 62 62 HIS H H 62 8.029 8.029 8.103 -0.074 25600 2869 1 7 . 1 1 63 63 GLY N N 63 113.301 113.301 111.137 2.164 25600 2870 1 7 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.703 -1.050 25600 2871 1 7 . 1 1 63 63 GLY H H 63 8.733 8.733 8.701 0.032 25600 2872 1 7 . 1 1 64 64 LEU N N 64 120.664 120.664 125.277 -4.613 25600 2873 1 7 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.160 -0.774 25600 2874 1 7 . 1 1 64 64 LEU CA C 64 54.893 54.893 51.549 3.344 25600 2875 1 7 . 1 1 64 64 LEU CB C 64 41.463 41.463 44.451 -2.988 25600 2876 1 7 . 1 1 64 64 LEU H H 64 7.679 7.679 8.268 -0.589 25600 2877 1 7 . 1 1 65 65 ALA N N 65 108.346 108.346 122.715 -14.369 25600 2878 1 7 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.652 0.750 25600 2879 1 7 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.534 -1.267 25600 2880 1 7 . 1 1 65 65 ALA CB C 65 21.555 21.555 21.699 -0.144 25600 2881 1 7 . 1 1 65 65 ALA H H 65 9.874 9.874 8.491 1.383 25600 2882 1 7 . 1 1 66 66 SER N N 66 115.951 115.951 118.124 -2.173 25600 2883 1 7 . 1 1 66 66 SER HA H 66 4.909 4.909 5.594 -0.685 25600 2884 1 7 . 1 1 66 66 SER CA C 66 56.645 56.645 56.765 -0.120 25600 2885 1 7 . 1 1 66 66 SER CB C 66 63.823 63.823 65.229 -1.406 25600 2886 1 7 . 1 1 66 66 SER H H 66 8.938 8.938 8.720 0.218 25600 2887 1 7 . 1 1 67 67 THR N N 67 113.596 113.596 119.482 -5.886 25600 2888 1 7 . 1 1 67 67 THR HA H 67 4.649 4.649 4.822 -0.173 25600 2889 1 7 . 1 1 67 67 THR CA C 67 59.216 59.216 60.530 -1.314 25600 2890 1 7 . 1 1 67 67 THR CB C 67 69.006 69.006 71.123 -2.117 25600 2891 1 7 . 1 1 67 67 THR H H 67 8.258 8.258 8.129 0.129 25600 2892 1 7 . 1 1 68 68 LEU N N 68 124.151 124.151 123.528 0.623 25600 2893 1 7 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.904 -0.548 25600 2894 1 7 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.229 0.883 25600 2895 1 7 . 1 1 68 68 LEU CB C 68 42.915 42.915 41.344 1.571 25600 2896 1 7 . 1 1 68 68 LEU H H 68 8.616 8.616 8.443 0.173 25600 2897 1 7 . 1 1 69 69 ASN N N 69 115.821 115.821 117.322 -1.501 25600 2898 1 7 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.980 -0.336 25600 2899 1 7 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.739 -0.283 25600 2900 1 7 . 1 1 69 69 ASN CB C 69 42.306 42.306 41.217 1.089 25600 2901 1 7 . 1 1 69 69 ASN H H 69 7.965 7.965 7.527 0.438 25600 2902 1 7 . 1 1 70 70 GLN N N 70 114.564 114.564 118.012 -3.448 25600 2903 1 7 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.603 -0.678 25600 2904 1 7 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.113 0.124 25600 2905 1 7 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.609 0.397 25600 2906 1 7 . 1 1 70 70 GLN H H 70 8.287 8.287 8.666 -0.379 25600 2907 1 7 . 1 1 71 71 GLY N N 71 108.006 108.006 109.023 -1.017 25600 2908 1 7 . 1 1 71 71 GLY CA C 71 43.686 43.686 44.685 -0.999 25600 2909 1 7 . 1 1 71 71 GLY H H 71 8.520 8.520 7.832 0.688 25600 2910 1 7 . 1 1 72 72 ASN N N 72 117.785 117.785 117.817 -0.032 25600 2911 1 7 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.196 0.277 25600 2912 1 7 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.336 -0.645 25600 2913 1 7 . 1 1 72 72 ASN CB C 72 39.896 39.896 41.464 -1.568 25600 2914 1 7 . 1 1 72 72 ASN H H 72 8.420 8.420 8.513 -0.093 25600 2915 1 7 . 1 1 73 73 VAL N N 73 115.848 115.848 121.082 -5.234 25600 2916 1 7 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.413 0.118 25600 2917 1 7 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.482 -0.507 25600 2918 1 7 . 1 1 73 73 VAL CB C 73 35.179 35.179 36.273 -1.094 25600 2919 1 7 . 1 1 73 73 VAL H H 73 8.990 8.990 9.123 -0.133 25600 2920 1 7 . 1 1 74 74 LYS N N 74 123.195 123.195 126.348 -3.153 25600 2921 1 7 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.535 0.621 25600 2922 1 7 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.436 -0.555 25600 2923 1 7 . 1 1 74 74 LYS CB C 74 33.597 33.597 32.873 0.724 25600 2924 1 7 . 1 1 74 74 LYS H H 74 8.715 8.715 8.520 0.195 25600 2925 1 7 . 1 1 75 75 VAL N N 75 129.522 129.522 128.977 0.545 25600 2926 1 7 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.302 0.240 25600 2927 1 7 . 1 1 75 75 VAL CA C 75 60.816 60.816 62.212 -1.395 25600 2928 1 7 . 1 1 75 75 VAL CB C 75 32.483 32.483 31.414 1.069 25600 2929 1 7 . 1 1 75 75 VAL H H 75 8.975 8.975 8.190 0.785 25600 2930 1 7 . 1 1 76 76 THR N N 76 120.548 120.548 123.309 -2.761 25600 2931 1 7 . 1 1 76 76 THR HA H 76 5.066 5.066 4.705 0.361 25600 2932 1 7 . 1 1 76 76 THR CA C 76 59.783 59.783 60.971 -1.188 25600 2933 1 7 . 1 1 76 76 THR CB C 76 70.733 70.733 71.565 -0.832 25600 2934 1 7 . 1 1 76 76 THR H H 76 8.650 8.650 8.842 -0.192 25600 2935 1 7 . 1 1 77 77 ALA N N 77 126.454 126.454 127.164 -0.710 25600 2936 1 7 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.507 -1.127 25600 2937 1 7 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.581 -2.151 25600 2938 1 7 . 1 1 77 77 ALA CB C 77 20.544 20.544 23.111 -2.567 25600 2939 1 7 . 1 1 77 77 ALA H H 77 8.674 8.674 8.297 0.377 25600 2940 1 7 . 1 1 78 78 SER N N 78 113.568 113.568 115.250 -1.682 25600 2941 1 7 . 1 1 78 78 SER HA H 78 5.376 5.376 4.939 0.437 25600 2942 1 7 . 1 1 78 78 SER CA C 78 56.077 56.077 57.923 -1.846 25600 2943 1 7 . 1 1 78 78 SER CB C 78 65.730 65.730 66.285 -0.555 25600 2944 1 7 . 1 1 78 78 SER H H 78 8.117 8.117 8.186 -0.069 25600 2945 1 7 . 1 1 79 79 ILE N N 79 121.071 121.071 123.769 -2.698 25600 2946 1 7 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.377 -0.236 25600 2947 1 7 . 1 1 79 79 ILE CA C 79 61.124 61.124 59.957 1.167 25600 2948 1 7 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.900 -2.091 25600 2949 1 7 . 1 1 79 79 ILE H H 79 8.446 8.446 7.896 0.550 25600 2950 1 7 . 1 1 80 80 GLY N N 80 117.157 117.157 114.280 2.877 25600 2951 1 7 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.743 -0.737 25600 2952 1 7 . 1 1 80 80 GLY H H 80 8.899 8.899 8.690 0.209 25600 2953 1 7 . 1 1 81 81 GLY N N 81 110.716 110.716 110.483 0.233 25600 2954 1 7 . 1 1 81 81 GLY CA C 81 44.378 44.378 45.012 -0.634 25600 2955 1 7 . 1 1 81 81 GLY H H 81 8.742 8.742 8.296 0.446 25600 2956 1 7 . 1 1 82 82 ILE N N 82 124.112 124.112 121.680 2.432 25600 2957 1 7 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.308 -0.108 25600 2958 1 7 . 1 1 82 82 ILE CA C 82 59.033 59.033 59.729 -0.696 25600 2959 1 7 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.652 -1.875 25600 2960 1 7 . 1 1 82 82 ILE H H 82 8.188 8.188 7.800 0.388 25600 2961 1 7 . 1 1 83 83 GLN N N 83 122.453 122.453 121.249 1.204 25600 2962 1 7 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.937 0.458 25600 2963 1 7 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.391 -1.371 25600 2964 1 7 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.831 -0.316 25600 2965 1 7 . 1 1 83 83 GLN H H 83 8.423 8.423 8.167 0.256 25600 2966 1 7 . 1 1 84 84 GLY N N 84 111.437 111.437 107.557 3.880 25600 2967 1 7 . 1 1 84 84 GLY CA C 84 43.698 43.698 44.164 -0.466 25600 2968 1 7 . 1 1 84 84 GLY H H 84 8.931 8.931 8.246 0.685 25600 2969 1 7 . 1 1 85 85 SER N N 85 113.877 113.877 113.992 -0.115 25600 2970 1 7 . 1 1 85 85 SER HA H 85 5.841 5.841 5.108 0.733 25600 2971 1 7 . 1 1 85 85 SER CA C 85 56.264 56.264 57.131 -0.867 25600 2972 1 7 . 1 1 85 85 SER CB C 85 66.946 66.946 66.613 0.333 25600 2973 1 7 . 1 1 85 85 SER H H 85 8.710 8.710 8.306 0.404 25600 2974 1 7 . 1 1 86 86 THR N N 86 115.389 115.389 113.984 1.405 25600 2975 1 7 . 1 1 86 86 THR HA H 86 4.772 4.772 4.790 -0.018 25600 2976 1 7 . 1 1 86 86 THR CA C 86 60.313 60.313 61.548 -1.235 25600 2977 1 7 . 1 1 86 86 THR CB C 86 69.953 69.953 71.420 -1.467 25600 2978 1 7 . 1 1 86 86 THR H H 86 8.854 8.854 8.730 0.124 25600 2979 1 7 . 1 1 87 87 ASP N N 87 124.623 124.623 121.610 3.013 25600 2980 1 7 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.918 0.518 25600 2981 1 7 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.403 0.393 25600 2982 1 7 . 1 1 87 87 ASP CB C 87 42.010 42.010 43.056 -1.046 25600 2983 1 7 . 1 1 87 87 ASP H H 87 7.953 7.953 8.478 -0.525 25600 2984 1 7 . 1 1 88 88 PHE N N 88 123.577 123.577 123.648 -0.071 25600 2985 1 7 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.197 -0.266 25600 2986 1 7 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.254 0.714 25600 2987 1 7 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.052 -0.168 25600 2988 1 7 . 1 1 88 88 PHE H H 88 9.094 9.094 8.819 0.275 25600 2989 1 7 . 1 1 89 89 LYS N N 89 126.965 126.965 125.343 1.622 25600 2990 1 7 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.708 0.330 25600 2991 1 7 . 1 1 89 89 LYS CA C 89 53.889 53.889 54.843 -0.954 25600 2992 1 7 . 1 1 89 89 LYS CB C 89 34.669 34.669 34.556 0.113 25600 2993 1 7 . 1 1 89 89 LYS H H 89 7.269 7.269 8.204 -0.935 25600 2994 1 7 . 1 1 90 90 VAL N N 90 126.148 126.148 128.472 -2.324 25600 2995 1 7 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.208 -0.197 25600 2996 1 7 . 1 1 90 90 VAL CA C 90 59.547 59.547 60.651 -1.104 25600 2997 1 7 . 1 1 90 90 VAL CB C 90 30.948 30.948 33.761 -2.813 25600 2998 1 7 . 1 1 90 90 VAL H H 90 9.086 9.086 8.942 0.144 25600 2999 1 7 . 1 1 91 91 THR N N 91 120.506 120.506 120.314 0.192 25600 3000 1 7 . 1 1 91 91 THR HA H 91 4.568 4.568 4.690 -0.122 25600 3001 1 7 . 1 1 91 91 THR CA C 91 59.348 59.348 59.822 -0.474 25600 3002 1 7 . 1 1 91 91 THR CB C 91 68.970 68.970 71.782 -2.812 25600 3003 1 7 . 1 1 91 91 THR H H 91 8.757 8.757 8.222 0.535 25600 3004 1 8 . 1 1 2 2 PRO HA H 2 4.277 4.277 5.169 -0.892 25600 3005 1 8 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.889 -1.668 25600 3006 1 8 . 1 1 2 2 PRO CB C 2 31.416 31.416 33.146 -1.730 25600 3007 1 8 . 1 1 3 3 ALA N N 3 123.804 123.804 123.715 0.089 25600 3008 1 8 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.455 -0.249 25600 3009 1 8 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.581 -0.186 25600 3010 1 8 . 1 1 3 3 ALA CB C 3 18.840 18.840 21.224 -2.384 25600 3011 1 8 . 1 1 3 3 ALA H H 3 8.647 8.647 8.198 0.449 25600 3012 1 8 . 1 1 4 4 ALA N N 4 124.059 124.059 125.163 -1.104 25600 3013 1 8 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.804 -0.095 25600 3014 1 8 . 1 1 4 4 ALA CA C 4 50.022 50.022 51.490 -1.468 25600 3015 1 8 . 1 1 4 4 ALA CB C 4 19.897 19.897 20.107 -0.210 25600 3016 1 8 . 1 1 4 4 ALA H H 4 8.239 8.239 8.553 -0.314 25600 3017 1 8 . 1 1 5 5 LEU N N 5 124.019 124.019 123.553 0.466 25600 3018 1 8 . 1 1 5 5 LEU HA H 5 3.372 3.372 3.863 -0.491 25600 3019 1 8 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.581 -1.573 25600 3020 1 8 . 1 1 5 5 LEU CB C 5 41.242 41.242 41.862 -0.620 25600 3021 1 8 . 1 1 5 5 LEU H H 5 8.560 8.560 8.857 -0.297 25600 3022 1 8 . 1 1 6 6 VAL N N 6 123.356 123.356 117.871 5.485 25600 3023 1 8 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.225 -0.128 25600 3024 1 8 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.675 -0.335 25600 3025 1 8 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.496 -0.548 25600 3026 1 8 . 1 1 6 6 VAL H H 6 9.119 9.119 8.495 0.624 25600 3027 1 8 . 1 1 7 7 SER N N 7 112.134 112.134 113.110 -0.976 25600 3028 1 8 . 1 1 7 7 SER HA H 7 4.445 4.445 4.750 -0.305 25600 3029 1 8 . 1 1 7 7 SER CA C 7 56.349 56.349 57.537 -1.188 25600 3030 1 8 . 1 1 7 7 SER CB C 7 64.361 64.361 66.378 -2.017 25600 3031 1 8 . 1 1 7 7 SER H H 7 7.680 7.680 7.810 -0.130 25600 3032 1 8 . 1 1 8 8 ILE N N 8 118.674 118.674 115.583 3.091 25600 3033 1 8 . 1 1 8 8 ILE HA H 8 4.673 4.673 4.740 -0.067 25600 3034 1 8 . 1 1 8 8 ILE CA C 8 59.146 59.146 60.125 -0.979 25600 3035 1 8 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.395 -0.721 25600 3036 1 8 . 1 1 8 8 ILE H H 8 8.354 8.354 8.163 0.191 25600 3037 1 8 . 1 1 9 9 SER N N 9 121.318 121.318 120.067 1.251 25600 3038 1 8 . 1 1 9 9 SER HA H 9 4.863 4.863 4.964 -0.101 25600 3039 1 8 . 1 1 9 9 SER CA C 9 55.381 55.381 57.590 -2.209 25600 3040 1 8 . 1 1 9 9 SER CB C 9 64.243 64.243 63.757 0.486 25600 3041 1 8 . 1 1 9 9 SER H H 9 9.028 9.028 8.846 0.182 25600 3042 1 8 . 1 1 10 10 VAL N N 10 127.509 127.509 120.926 6.583 25600 3043 1 8 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.744 0.306 25600 3044 1 8 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.348 0.564 25600 3045 1 8 . 1 1 10 10 VAL CB C 10 33.387 33.387 34.275 -0.888 25600 3046 1 8 . 1 1 10 10 VAL H H 10 8.911 8.911 8.612 0.299 25600 3047 1 8 . 1 1 11 11 SER N N 11 121.861 121.861 121.656 0.205 25600 3048 1 8 . 1 1 11 11 SER CB C 11 64.373 64.373 62.858 1.516 25600 3049 1 8 . 1 1 11 11 SER H H 11 9.205 9.205 8.303 0.902 25600 3050 1 8 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.158 0.546 25600 3051 1 8 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.561 -1.662 25600 3052 1 8 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.360 1.729 25600 3053 1 8 . 1 1 13 13 THR N N 13 116.138 116.138 115.619 0.519 25600 3054 1 8 . 1 1 13 13 THR HA H 13 4.770 4.770 4.524 0.246 25600 3055 1 8 . 1 1 13 13 THR CA C 13 60.153 60.153 60.357 -0.204 25600 3056 1 8 . 1 1 13 13 THR CB C 13 69.426 69.426 69.589 -0.163 25600 3057 1 8 . 1 1 13 13 THR H H 13 8.679 8.679 8.271 0.408 25600 3058 1 8 . 1 1 14 14 ASN N N 14 124.457 124.457 125.340 -0.883 25600 3059 1 8 . 1 1 14 14 ASN HA H 14 4.695 4.695 5.594 -0.899 25600 3060 1 8 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.369 0.759 25600 3061 1 8 . 1 1 14 14 ASN CB C 14 36.593 36.593 39.669 -3.076 25600 3062 1 8 . 1 1 14 14 ASN H H 14 8.710 8.710 8.842 -0.132 25600 3063 1 8 . 1 1 15 15 SER N N 15 113.673 113.673 117.132 -3.459 25600 3064 1 8 . 1 1 15 15 SER HA H 15 4.648 4.648 4.595 0.053 25600 3065 1 8 . 1 1 15 15 SER CA C 15 55.644 55.644 57.705 -2.061 25600 3066 1 8 . 1 1 15 15 SER CB C 15 63.953 63.953 64.543 -0.590 25600 3067 1 8 . 1 1 15 15 SER H H 15 9.127 9.127 8.278 0.849 25600 3068 1 8 . 1 1 16 16 THR N N 16 113.579 113.579 114.208 -0.629 25600 3069 1 8 . 1 1 16 16 THR HA H 16 4.976 4.976 4.824 0.152 25600 3070 1 8 . 1 1 16 16 THR CA C 16 58.445 58.445 60.768 -2.323 25600 3071 1 8 . 1 1 16 16 THR CB C 16 70.534 70.534 70.276 0.258 25600 3072 1 8 . 1 1 16 16 THR H H 16 7.962 7.962 8.160 -0.198 25600 3073 1 8 . 1 1 17 17 VAL N N 17 121.479 121.479 122.928 -1.449 25600 3074 1 8 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.292 0.028 25600 3075 1 8 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.701 0.236 25600 3076 1 8 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.322 0.082 25600 3077 1 8 . 1 1 17 17 VAL H H 17 7.969 7.969 7.984 -0.015 25600 3078 1 8 . 1 1 18 18 ALA N N 18 126.014 126.014 127.433 -1.419 25600 3079 1 8 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.435 -0.260 25600 3080 1 8 . 1 1 18 18 ALA CA C 18 50.963 50.963 52.007 -1.044 25600 3081 1 8 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.589 -0.667 25600 3082 1 8 . 1 1 18 18 ALA H H 18 7.756 7.756 8.223 -0.467 25600 3083 1 8 . 1 1 19 19 LYS N N 19 119.741 119.741 124.482 -4.741 25600 3084 1 8 . 1 1 19 19 LYS HA H 19 3.487 3.487 3.860 -0.373 25600 3085 1 8 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.343 0.429 25600 3086 1 8 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.627 -1.024 25600 3087 1 8 . 1 1 19 19 LYS H H 19 7.893 7.893 8.250 -0.357 25600 3088 1 8 . 1 1 20 20 GLY N N 20 116.709 116.709 115.066 1.643 25600 3089 1 8 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.000 -1.237 25600 3090 1 8 . 1 1 20 20 GLY H H 20 8.615 8.615 8.619 -0.004 25600 3091 1 8 . 1 1 21 21 LEU N N 21 123.004 123.004 121.177 1.827 25600 3092 1 8 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.851 -0.263 25600 3093 1 8 . 1 1 21 21 LEU CA C 21 53.365 53.365 53.709 -0.344 25600 3094 1 8 . 1 1 21 21 LEU CB C 21 40.962 40.962 45.698 -4.736 25600 3095 1 8 . 1 1 21 21 LEU H H 21 8.013 8.013 7.767 0.246 25600 3096 1 8 . 1 1 22 22 GLN N N 22 117.504 117.504 117.399 0.105 25600 3097 1 8 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.323 -0.195 25600 3098 1 8 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.385 -0.716 25600 3099 1 8 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.963 -1.049 25600 3100 1 8 . 1 1 22 22 GLN H H 22 8.223 8.223 8.295 -0.072 25600 3101 1 8 . 1 1 23 23 GLU N N 23 118.125 118.125 122.538 -4.413 25600 3102 1 8 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.596 -0.033 25600 3103 1 8 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.966 -3.099 25600 3104 1 8 . 1 1 23 23 GLU CB C 23 32.874 32.874 32.796 0.078 25600 3105 1 8 . 1 1 23 23 GLU H H 23 8.188 8.188 8.712 -0.524 25600 3106 1 8 . 1 1 24 24 ASN N N 24 125.841 125.841 125.831 0.010 25600 3107 1 8 . 1 1 24 24 ASN HA H 24 4.778 4.778 4.875 -0.097 25600 3108 1 8 . 1 1 24 24 ASN CA C 24 52.511 52.511 53.357 -0.846 25600 3109 1 8 . 1 1 24 24 ASN CB C 24 39.746 39.746 38.727 1.019 25600 3110 1 8 . 1 1 24 24 ASN H H 24 9.391 9.391 8.540 0.851 25600 3111 1 8 . 1 1 25 25 PHE N N 25 122.823 122.823 124.084 -1.261 25600 3112 1 8 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.440 0.211 25600 3113 1 8 . 1 1 25 25 PHE CA C 25 57.123 57.123 58.298 -1.175 25600 3114 1 8 . 1 1 25 25 PHE CB C 25 39.059 39.059 40.995 -1.936 25600 3115 1 8 . 1 1 25 25 PHE H H 25 8.062 8.062 8.480 -0.418 25600 3116 1 8 . 1 1 26 26 LYS N N 26 119.114 119.114 123.618 -4.504 25600 3117 1 8 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.485 0.759 25600 3118 1 8 . 1 1 26 26 LYS CA C 26 52.976 52.976 54.987 -2.011 25600 3119 1 8 . 1 1 26 26 LYS CB C 26 34.661 34.661 35.094 -0.433 25600 3120 1 8 . 1 1 26 26 LYS H H 26 9.255 9.255 7.907 1.348 25600 3121 1 8 . 1 1 27 27 ALA N N 27 125.586 125.586 128.381 -2.795 25600 3122 1 8 . 1 1 27 27 ALA HA H 27 5.262 5.262 4.821 0.441 25600 3123 1 8 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.572 -2.756 25600 3124 1 8 . 1 1 27 27 ALA CB C 27 21.160 21.160 21.715 -0.555 25600 3125 1 8 . 1 1 27 27 ALA H H 27 9.120 9.120 8.702 0.418 25600 3126 1 8 . 1 1 28 28 THR N N 28 120.627 120.627 121.381 -0.754 25600 3127 1 8 . 1 1 28 28 THR HA H 28 4.837 4.837 4.936 -0.099 25600 3128 1 8 . 1 1 28 28 THR CA C 28 60.566 60.566 61.531 -0.965 25600 3129 1 8 . 1 1 28 28 THR CB C 28 69.478 69.478 71.034 -1.556 25600 3130 1 8 . 1 1 28 28 THR H H 28 9.062 9.062 8.481 0.581 25600 3131 1 8 . 1 1 29 29 GLY N N 29 115.788 115.788 113.862 1.926 25600 3132 1 8 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.732 0.584 25600 3133 1 8 . 1 1 29 29 GLY H H 29 9.663 9.663 9.245 0.418 25600 3134 1 8 . 1 1 30 30 ILE N N 30 123.085 123.085 122.529 0.556 25600 3135 1 8 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.668 0.110 25600 3136 1 8 . 1 1 30 30 ILE CA C 30 59.388 59.388 58.860 0.528 25600 3137 1 8 . 1 1 30 30 ILE CB C 30 36.883 36.883 40.641 -3.758 25600 3138 1 8 . 1 1 30 30 ILE H H 30 7.914 7.914 8.791 -0.877 25600 3139 1 8 . 1 1 31 31 PHE N N 31 125.209 125.209 120.632 4.577 25600 3140 1 8 . 1 1 31 31 PHE HA H 31 5.370 5.370 4.716 0.654 25600 3141 1 8 . 1 1 31 31 PHE CA C 31 56.487 56.487 56.780 -0.293 25600 3142 1 8 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.714 -1.561 25600 3143 1 8 . 1 1 31 31 PHE H H 31 8.316 8.316 8.462 -0.146 25600 3144 1 8 . 1 1 32 32 THR N N 32 113.843 113.843 116.672 -2.829 25600 3145 1 8 . 1 1 32 32 THR HA H 32 4.404 4.404 4.186 0.218 25600 3146 1 8 . 1 1 32 32 THR CA C 32 64.157 64.157 64.530 -0.373 25600 3147 1 8 . 1 1 32 32 THR CB C 32 68.540 68.540 68.831 -0.290 25600 3148 1 8 . 1 1 32 32 THR H H 32 9.335 9.335 8.682 0.653 25600 3149 1 8 . 1 1 33 33 ASP N N 33 118.800 118.800 119.873 -1.073 25600 3150 1 8 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.681 -0.060 25600 3151 1 8 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.581 -1.618 25600 3152 1 8 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.610 -2.116 25600 3153 1 8 . 1 1 33 33 ASP H H 33 7.689 7.689 8.363 -0.674 25600 3154 1 8 . 1 1 34 34 ASN N N 34 112.995 112.995 113.941 -0.946 25600 3155 1 8 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.410 -0.062 25600 3156 1 8 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.682 -0.336 25600 3157 1 8 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.388 0.102 25600 3158 1 8 . 1 1 34 34 ASN H H 34 8.370 8.370 7.950 0.420 25600 3159 1 8 . 1 1 35 35 SER N N 35 115.545 115.545 114.815 0.730 25600 3160 1 8 . 1 1 35 35 SER HA H 35 4.413 4.413 4.590 -0.177 25600 3161 1 8 . 1 1 35 35 SER CA C 35 57.882 57.882 56.800 1.082 25600 3162 1 8 . 1 1 35 35 SER CB C 35 63.770 63.770 63.903 -0.133 25600 3163 1 8 . 1 1 35 35 SER H H 35 7.990 7.990 7.858 0.132 25600 3164 1 8 . 1 1 36 36 ASN N N 36 116.053 116.053 124.943 -8.890 25600 3165 1 8 . 1 1 36 36 ASN HA H 36 2.890 2.890 5.440 -2.550 25600 3166 1 8 . 1 1 36 36 ASN CA C 36 50.674 50.674 52.324 -1.650 25600 3167 1 8 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.481 1.318 25600 3168 1 8 . 1 1 36 36 ASN H H 36 8.518 8.518 8.399 0.119 25600 3169 1 8 . 1 1 37 37 SER N N 37 113.191 113.191 115.503 -2.312 25600 3170 1 8 . 1 1 37 37 SER HA H 37 4.715 4.715 4.848 -0.133 25600 3171 1 8 . 1 1 37 37 SER CA C 37 56.801 56.801 57.128 -0.327 25600 3172 1 8 . 1 1 37 37 SER CB C 37 64.872 64.872 66.198 -1.326 25600 3173 1 8 . 1 1 37 37 SER H H 37 8.667 8.667 8.771 -0.104 25600 3174 1 8 . 1 1 38 38 ASP N N 38 123.962 123.962 120.391 3.571 25600 3175 1 8 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.929 0.058 25600 3176 1 8 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.725 0.476 25600 3177 1 8 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.882 -1.953 25600 3178 1 8 . 1 1 38 38 ASP H H 38 8.848 8.848 8.560 0.288 25600 3179 1 8 . 1 1 39 39 ILE N N 39 121.216 121.216 122.548 -1.332 25600 3180 1 8 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.750 1.121 25600 3181 1 8 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.132 -2.425 25600 3182 1 8 . 1 1 39 39 ILE CB C 39 37.086 37.086 36.935 0.151 25600 3183 1 8 . 1 1 39 39 ILE H H 39 8.815 8.815 8.645 0.170 25600 3184 1 8 . 1 1 40 40 THR N N 40 122.867 122.867 114.677 8.190 25600 3185 1 8 . 1 1 40 40 THR HA H 40 4.288 4.288 4.207 0.081 25600 3186 1 8 . 1 1 40 40 THR CB C 40 68.527 68.527 69.016 -0.489 25600 3187 1 8 . 1 1 40 40 THR H H 40 8.679 8.679 8.089 0.590 25600 3188 1 8 . 1 1 41 41 ASP N N 41 114.081 114.081 119.366 -5.285 25600 3189 1 8 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.761 -1.063 25600 3190 1 8 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.367 -0.889 25600 3191 1 8 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.858 -2.140 25600 3192 1 8 . 1 1 41 41 ASP H H 41 8.539 8.539 8.601 -0.062 25600 3193 1 8 . 1 1 42 42 GLN N N 42 117.087 117.087 117.019 0.068 25600 3194 1 8 . 1 1 42 42 GLN HA H 42 4.151 4.151 3.966 0.185 25600 3195 1 8 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.048 -0.512 25600 3196 1 8 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.597 2.619 25600 3197 1 8 . 1 1 42 42 GLN H H 42 7.718 7.718 7.232 0.486 25600 3198 1 8 . 1 1 43 43 VAL N N 43 109.916 109.916 122.717 -12.801 25600 3199 1 8 . 1 1 43 43 VAL HA H 43 4.089 4.089 4.347 -0.258 25600 3200 1 8 . 1 1 43 43 VAL CA C 43 58.840 58.840 62.385 -3.545 25600 3201 1 8 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.237 -0.964 25600 3202 1 8 . 1 1 43 43 VAL H H 43 6.902 6.902 8.415 -1.513 25600 3203 1 8 . 1 1 44 44 THR N N 44 116.272 116.272 121.922 -5.650 25600 3204 1 8 . 1 1 44 44 THR HA H 44 4.315 4.315 4.478 -0.163 25600 3205 1 8 . 1 1 44 44 THR CA C 44 61.651 61.651 62.100 -0.449 25600 3206 1 8 . 1 1 44 44 THR CB C 44 68.890 68.890 69.140 -0.250 25600 3207 1 8 . 1 1 44 44 THR H H 44 8.787 8.787 8.486 0.301 25600 3208 1 8 . 1 1 45 45 TRP N N 45 132.098 132.098 125.355 6.743 25600 3209 1 8 . 1 1 45 45 TRP HA H 45 5.245 5.245 5.004 0.241 25600 3210 1 8 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.695 0.692 25600 3211 1 8 . 1 1 45 45 TRP CB C 45 30.077 30.077 30.081 -0.004 25600 3212 1 8 . 1 1 45 45 TRP H H 45 10.351 10.351 8.307 2.044 25600 3213 1 8 . 1 1 46 46 ASP N N 46 121.897 121.897 123.148 -1.251 25600 3214 1 8 . 1 1 46 46 ASP HA H 46 4.857 4.857 4.894 -0.037 25600 3215 1 8 . 1 1 46 46 ASP CA C 46 52.797 52.797 54.184 -1.387 25600 3216 1 8 . 1 1 46 46 ASP CB C 46 45.075 45.075 44.464 0.611 25600 3217 1 8 . 1 1 46 46 ASP H H 46 9.471 9.471 8.260 1.211 25600 3218 1 8 . 1 1 47 47 SER N N 47 113.805 113.805 117.519 -3.714 25600 3219 1 8 . 1 1 47 47 SER HA H 47 5.043 5.043 5.081 -0.038 25600 3220 1 8 . 1 1 47 47 SER CA C 47 53.059 53.059 56.644 -3.585 25600 3221 1 8 . 1 1 47 47 SER CB C 47 64.880 64.880 64.894 -0.014 25600 3222 1 8 . 1 1 47 47 SER H H 47 8.502 8.502 8.583 -0.081 25600 3223 1 8 . 1 1 48 48 SER N N 48 119.614 119.614 118.921 0.693 25600 3224 1 8 . 1 1 48 48 SER HA H 48 4.264 4.264 4.298 -0.034 25600 3225 1 8 . 1 1 48 48 SER CA C 48 59.404 59.404 60.116 -0.712 25600 3226 1 8 . 1 1 48 48 SER CB C 48 62.026 62.026 63.453 -1.427 25600 3227 1 8 . 1 1 48 48 SER H H 48 8.517 8.517 8.552 -0.035 25600 3228 1 8 . 1 1 49 49 ASN N N 49 118.260 118.260 116.132 2.128 25600 3229 1 8 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.554 0.344 25600 3230 1 8 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.307 -1.466 25600 3231 1 8 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.758 -1.038 25600 3232 1 8 . 1 1 49 49 ASN H H 49 7.816 7.816 8.263 -0.447 25600 3233 1 8 . 1 1 50 50 THR N N 50 119.288 119.288 115.173 4.115 25600 3234 1 8 . 1 1 50 50 THR HA H 50 4.541 4.541 4.521 0.020 25600 3235 1 8 . 1 1 50 50 THR CA C 50 62.137 62.137 63.032 -0.895 25600 3236 1 8 . 1 1 50 50 THR CB C 50 67.100 67.100 70.217 -3.117 25600 3237 1 8 . 1 1 50 50 THR H H 50 9.049 9.049 8.358 0.691 25600 3238 1 8 . 1 1 51 51 ASP N N 51 118.825 118.825 120.493 -1.668 25600 3239 1 8 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.768 -0.182 25600 3240 1 8 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.780 -0.090 25600 3241 1 8 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.928 -3.271 25600 3242 1 8 . 1 1 51 51 ASP H H 51 8.251 8.251 8.138 0.113 25600 3243 1 8 . 1 1 52 52 ILE N N 52 118.411 118.411 121.550 -3.139 25600 3244 1 8 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.439 -0.514 25600 3245 1 8 . 1 1 52 52 ILE CA C 52 61.681 61.681 60.709 0.972 25600 3246 1 8 . 1 1 52 52 ILE CB C 52 38.896 38.896 38.136 0.760 25600 3247 1 8 . 1 1 52 52 ILE H H 52 7.169 7.169 8.075 -0.906 25600 3248 1 8 . 1 1 53 53 LEU N N 53 120.126 120.126 121.878 -1.752 25600 3249 1 8 . 1 1 53 53 LEU HA H 53 5.021 5.021 5.034 -0.013 25600 3250 1 8 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.663 -0.382 25600 3251 1 8 . 1 1 53 53 LEU CB C 53 46.405 46.405 45.077 1.328 25600 3252 1 8 . 1 1 53 53 LEU H H 53 7.876 7.876 7.697 0.179 25600 3253 1 8 . 1 1 54 54 SER N N 54 122.252 122.252 117.741 4.511 25600 3254 1 8 . 1 1 54 54 SER HA H 54 4.959 4.959 4.797 0.162 25600 3255 1 8 . 1 1 54 54 SER CA C 54 54.724 54.724 57.216 -2.492 25600 3256 1 8 . 1 1 54 54 SER CB C 54 64.417 64.417 65.984 -1.567 25600 3257 1 8 . 1 1 54 54 SER H H 54 8.650 8.650 8.745 -0.095 25600 3258 1 8 . 1 1 55 55 ILE N N 55 123.973 123.973 123.421 0.552 25600 3259 1 8 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.138 0.763 25600 3260 1 8 . 1 1 55 55 ILE CA C 55 58.868 58.868 59.126 -0.258 25600 3261 1 8 . 1 1 55 55 ILE CB C 55 41.418 41.418 39.374 2.044 25600 3262 1 8 . 1 1 55 55 ILE H H 55 9.081 9.081 8.314 0.767 25600 3263 1 8 . 1 1 56 56 SER N N 56 119.540 119.540 122.889 -3.349 25600 3264 1 8 . 1 1 56 56 SER HA H 56 4.387 4.387 3.999 0.388 25600 3265 1 8 . 1 1 56 56 SER CA C 56 56.626 56.626 57.221 -0.595 25600 3266 1 8 . 1 1 56 56 SER CB C 56 63.106 63.106 64.440 -1.334 25600 3267 1 8 . 1 1 56 56 SER H H 56 7.905 7.905 8.817 -0.912 25600 3268 1 8 . 1 1 57 57 ASN N N 57 124.207 124.207 121.961 2.246 25600 3269 1 8 . 1 1 57 57 ASN HA H 57 5.019 5.019 4.988 0.031 25600 3270 1 8 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.098 -0.629 25600 3271 1 8 . 1 1 57 57 ASN CB C 57 40.090 40.090 40.405 -0.315 25600 3272 1 8 . 1 1 57 57 ASN H H 57 8.945 8.945 7.746 1.199 25600 3273 1 8 . 1 1 58 58 ALA N N 58 124.301 124.301 125.524 -1.223 25600 3274 1 8 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.648 -0.515 25600 3275 1 8 . 1 1 58 58 ALA CA C 58 51.287 51.287 51.412 -0.125 25600 3276 1 8 . 1 1 58 58 ALA CB C 58 18.354 18.354 21.219 -2.865 25600 3277 1 8 . 1 1 58 58 ALA H H 58 8.150 8.150 7.507 0.643 25600 3278 1 8 . 1 1 59 59 SER N N 59 113.299 113.299 115.001 -1.702 25600 3279 1 8 . 1 1 59 59 SER HA H 59 4.698 4.698 4.215 0.483 25600 3280 1 8 . 1 1 59 59 SER CA C 59 60.003 60.003 61.015 -1.012 25600 3281 1 8 . 1 1 59 59 SER CB C 59 62.574 62.574 63.364 -0.790 25600 3282 1 8 . 1 1 59 59 SER H H 59 8.377 8.377 8.519 -0.142 25600 3283 1 8 . 1 1 60 60 ASP N N 60 116.275 116.275 122.230 -5.955 25600 3284 1 8 . 1 1 60 60 ASP HA H 60 4.661 4.661 4.663 -0.002 25600 3285 1 8 . 1 1 60 60 ASP CA C 60 52.769 52.769 55.639 -2.870 25600 3286 1 8 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.282 -1.570 25600 3287 1 8 . 1 1 60 60 ASP H H 60 8.311 8.311 8.386 -0.075 25600 3288 1 8 . 1 1 61 61 SER N N 61 112.650 112.650 113.120 -0.470 25600 3289 1 8 . 1 1 61 61 SER HA H 61 4.630 4.630 4.493 0.137 25600 3290 1 8 . 1 1 61 61 SER CA C 61 56.180 56.180 57.886 -1.706 25600 3291 1 8 . 1 1 61 61 SER CB C 61 61.843 61.843 63.697 -1.855 25600 3292 1 8 . 1 1 61 61 SER H H 61 7.588 7.588 7.761 -0.173 25600 3293 1 8 . 1 1 62 62 HIS N N 62 119.790 119.790 123.943 -4.153 25600 3294 1 8 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.641 -0.594 25600 3295 1 8 . 1 1 62 62 HIS CA C 62 56.919 56.919 56.182 0.737 25600 3296 1 8 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.568 -3.044 25600 3297 1 8 . 1 1 62 62 HIS H H 62 8.029 8.029 7.906 0.123 25600 3298 1 8 . 1 1 63 63 GLY N N 63 113.301 113.301 115.781 -2.480 25600 3299 1 8 . 1 1 63 63 GLY CA C 63 43.653 43.653 45.273 -1.620 25600 3300 1 8 . 1 1 63 63 GLY H H 63 8.733 8.733 8.627 0.106 25600 3301 1 8 . 1 1 64 64 LEU N N 64 120.664 120.664 121.643 -0.979 25600 3302 1 8 . 1 1 64 64 LEU HA H 64 4.386 4.386 4.303 0.083 25600 3303 1 8 . 1 1 64 64 LEU CA C 64 54.893 54.893 55.394 -0.501 25600 3304 1 8 . 1 1 64 64 LEU CB C 64 41.463 41.463 45.380 -3.917 25600 3305 1 8 . 1 1 64 64 LEU H H 64 7.679 7.679 7.678 0.001 25600 3306 1 8 . 1 1 65 65 ALA N N 65 108.346 108.346 125.959 -17.613 25600 3307 1 8 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.808 0.594 25600 3308 1 8 . 1 1 65 65 ALA CA C 65 49.267 49.267 51.054 -1.787 25600 3309 1 8 . 1 1 65 65 ALA CB C 65 21.555 21.555 22.483 -0.928 25600 3310 1 8 . 1 1 65 65 ALA H H 65 9.874 9.874 8.680 1.194 25600 3311 1 8 . 1 1 66 66 SER N N 66 115.951 115.951 118.189 -2.238 25600 3312 1 8 . 1 1 66 66 SER HA H 66 4.909 4.909 5.728 -0.819 25600 3313 1 8 . 1 1 66 66 SER CA C 66 56.645 56.645 56.388 0.257 25600 3314 1 8 . 1 1 66 66 SER CB C 66 63.823 63.823 65.453 -1.630 25600 3315 1 8 . 1 1 66 66 SER H H 66 8.938 8.938 8.727 0.211 25600 3316 1 8 . 1 1 67 67 THR N N 67 113.596 113.596 115.169 -1.573 25600 3317 1 8 . 1 1 67 67 THR HA H 67 4.649 4.649 4.811 -0.162 25600 3318 1 8 . 1 1 67 67 THR CA C 67 59.216 59.216 61.105 -1.889 25600 3319 1 8 . 1 1 67 67 THR CB C 67 69.006 69.006 71.901 -2.895 25600 3320 1 8 . 1 1 67 67 THR H H 67 8.258 8.258 8.367 -0.109 25600 3321 1 8 . 1 1 68 68 LEU N N 68 124.151 124.151 126.356 -2.205 25600 3322 1 8 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.761 -0.405 25600 3323 1 8 . 1 1 68 68 LEU CA C 68 55.112 55.112 55.334 -0.222 25600 3324 1 8 . 1 1 68 68 LEU CB C 68 42.915 42.915 42.714 0.201 25600 3325 1 8 . 1 1 68 68 LEU H H 68 8.616 8.616 8.359 0.257 25600 3326 1 8 . 1 1 69 69 ASN N N 69 115.821 115.821 117.354 -1.533 25600 3327 1 8 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.944 -0.300 25600 3328 1 8 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.757 -0.301 25600 3329 1 8 . 1 1 69 69 ASN CB C 69 42.306 42.306 41.665 0.641 25600 3330 1 8 . 1 1 69 69 ASN H H 69 7.965 7.965 7.786 0.179 25600 3331 1 8 . 1 1 70 70 GLN N N 70 114.564 114.564 118.037 -3.473 25600 3332 1 8 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.825 -0.900 25600 3333 1 8 . 1 1 70 70 GLN CA C 70 55.237 55.237 54.751 0.486 25600 3334 1 8 . 1 1 70 70 GLN CB C 70 29.006 29.006 29.089 -0.083 25600 3335 1 8 . 1 1 70 70 GLN H H 70 8.287 8.287 8.583 -0.296 25600 3336 1 8 . 1 1 71 71 GLY N N 71 108.006 108.006 108.809 -0.803 25600 3337 1 8 . 1 1 71 71 GLY CA C 71 43.686 43.686 44.754 -1.067 25600 3338 1 8 . 1 1 71 71 GLY H H 71 8.520 8.520 8.018 0.502 25600 3339 1 8 . 1 1 72 72 ASN N N 72 117.785 117.785 118.086 -0.301 25600 3340 1 8 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.175 0.298 25600 3341 1 8 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.318 -0.627 25600 3342 1 8 . 1 1 72 72 ASN CB C 72 39.896 39.896 40.961 -1.065 25600 3343 1 8 . 1 1 72 72 ASN H H 72 8.420 8.420 8.461 -0.041 25600 3344 1 8 . 1 1 73 73 VAL N N 73 115.848 115.848 121.758 -5.910 25600 3345 1 8 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.466 0.065 25600 3346 1 8 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.847 -0.873 25600 3347 1 8 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.335 -0.156 25600 3348 1 8 . 1 1 73 73 VAL H H 73 8.990 8.990 9.258 -0.268 25600 3349 1 8 . 1 1 74 74 LYS N N 74 123.195 123.195 126.684 -3.489 25600 3350 1 8 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.683 0.473 25600 3351 1 8 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.743 -0.862 25600 3352 1 8 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.406 0.191 25600 3353 1 8 . 1 1 74 74 LYS H H 74 8.715 8.715 8.576 0.139 25600 3354 1 8 . 1 1 75 75 VAL N N 75 129.522 129.522 128.748 0.774 25600 3355 1 8 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.964 -0.422 25600 3356 1 8 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.221 -0.405 25600 3357 1 8 . 1 1 75 75 VAL CB C 75 32.483 32.483 33.954 -1.471 25600 3358 1 8 . 1 1 75 75 VAL H H 75 8.975 8.975 8.473 0.502 25600 3359 1 8 . 1 1 76 76 THR N N 76 120.548 120.548 122.694 -2.146 25600 3360 1 8 . 1 1 76 76 THR HA H 76 5.066 5.066 4.739 0.327 25600 3361 1 8 . 1 1 76 76 THR CA C 76 59.783 59.783 61.374 -1.591 25600 3362 1 8 . 1 1 76 76 THR CB C 76 70.733 70.733 71.525 -0.792 25600 3363 1 8 . 1 1 76 76 THR H H 76 8.650 8.650 8.726 -0.076 25600 3364 1 8 . 1 1 77 77 ALA N N 77 126.454 126.454 127.932 -1.478 25600 3365 1 8 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.547 -1.167 25600 3366 1 8 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.157 -1.727 25600 3367 1 8 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.562 -2.018 25600 3368 1 8 . 1 1 77 77 ALA H H 77 8.674 8.674 8.999 -0.325 25600 3369 1 8 . 1 1 78 78 SER N N 78 113.568 113.568 117.577 -4.009 25600 3370 1 8 . 1 1 78 78 SER HA H 78 5.376 5.376 4.864 0.512 25600 3371 1 8 . 1 1 78 78 SER CA C 78 56.077 56.077 57.508 -1.431 25600 3372 1 8 . 1 1 78 78 SER CB C 78 65.730 65.730 66.124 -0.394 25600 3373 1 8 . 1 1 78 78 SER H H 78 8.117 8.117 8.251 -0.134 25600 3374 1 8 . 1 1 79 79 ILE N N 79 121.071 121.071 123.366 -2.295 25600 3375 1 8 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.454 -0.313 25600 3376 1 8 . 1 1 79 79 ILE CA C 79 61.124 61.124 59.404 1.720 25600 3377 1 8 . 1 1 79 79 ILE CB C 79 38.809 38.809 41.271 -2.462 25600 3378 1 8 . 1 1 79 79 ILE H H 79 8.446 8.446 7.949 0.497 25600 3379 1 8 . 1 1 80 80 GLY N N 80 117.157 117.157 114.650 2.507 25600 3380 1 8 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.645 -0.639 25600 3381 1 8 . 1 1 80 80 GLY H H 80 8.899 8.899 8.611 0.288 25600 3382 1 8 . 1 1 81 81 GLY N N 81 110.716 110.716 110.782 -0.066 25600 3383 1 8 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.980 -0.602 25600 3384 1 8 . 1 1 81 81 GLY H H 81 8.742 8.742 8.200 0.542 25600 3385 1 8 . 1 1 82 82 ILE N N 82 124.112 124.112 121.656 2.456 25600 3386 1 8 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.272 -0.072 25600 3387 1 8 . 1 1 82 82 ILE CA C 82 59.033 59.033 59.950 -0.917 25600 3388 1 8 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.518 -1.741 25600 3389 1 8 . 1 1 82 82 ILE H H 82 8.188 8.188 7.890 0.298 25600 3390 1 8 . 1 1 83 83 GLN N N 83 122.453 122.453 120.962 1.491 25600 3391 1 8 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.510 0.885 25600 3392 1 8 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.224 -1.204 25600 3393 1 8 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.903 -0.388 25600 3394 1 8 . 1 1 83 83 GLN H H 83 8.423 8.423 8.132 0.291 25600 3395 1 8 . 1 1 84 84 GLY N N 84 111.437 111.437 107.283 4.154 25600 3396 1 8 . 1 1 84 84 GLY CA C 84 43.698 43.698 44.172 -0.474 25600 3397 1 8 . 1 1 84 84 GLY H H 84 8.931 8.931 8.978 -0.047 25600 3398 1 8 . 1 1 85 85 SER N N 85 113.877 113.877 115.451 -1.574 25600 3399 1 8 . 1 1 85 85 SER HA H 85 5.841 5.841 5.036 0.805 25600 3400 1 8 . 1 1 85 85 SER CA C 85 56.264 56.264 57.246 -0.982 25600 3401 1 8 . 1 1 85 85 SER CB C 85 66.946 66.946 66.385 0.561 25600 3402 1 8 . 1 1 85 85 SER H H 85 8.710 8.710 8.409 0.301 25600 3403 1 8 . 1 1 86 86 THR N N 86 115.389 115.389 116.183 -0.794 25600 3404 1 8 . 1 1 86 86 THR HA H 86 4.772 4.772 4.697 0.075 25600 3405 1 8 . 1 1 86 86 THR CA C 86 60.313 60.313 61.872 -1.559 25600 3406 1 8 . 1 1 86 86 THR CB C 86 69.953 69.953 72.150 -2.197 25600 3407 1 8 . 1 1 86 86 THR H H 86 8.854 8.854 9.069 -0.215 25600 3408 1 8 . 1 1 87 87 ASP N N 87 124.623 124.623 123.800 0.823 25600 3409 1 8 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.977 0.459 25600 3410 1 8 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.440 0.356 25600 3411 1 8 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.930 -0.920 25600 3412 1 8 . 1 1 87 87 ASP H H 87 7.953 7.953 8.696 -0.743 25600 3413 1 8 . 1 1 88 88 PHE N N 88 123.577 123.577 125.621 -2.044 25600 3414 1 8 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.384 -0.453 25600 3415 1 8 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.115 0.853 25600 3416 1 8 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.680 -0.796 25600 3417 1 8 . 1 1 88 88 PHE H H 88 9.094 9.094 8.758 0.336 25600 3418 1 8 . 1 1 89 89 LYS N N 89 126.965 126.965 127.175 -0.210 25600 3419 1 8 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.905 0.133 25600 3420 1 8 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.013 -1.123 25600 3421 1 8 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.328 -0.659 25600 3422 1 8 . 1 1 89 89 LYS H H 89 7.269 7.269 8.005 -0.736 25600 3423 1 8 . 1 1 90 90 VAL N N 90 126.148 126.148 125.245 0.903 25600 3424 1 8 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.335 -0.324 25600 3425 1 8 . 1 1 90 90 VAL CA C 90 59.547 59.547 58.825 0.722 25600 3426 1 8 . 1 1 90 90 VAL CB C 90 30.948 30.948 32.528 -1.580 25600 3427 1 8 . 1 1 90 90 VAL H H 90 9.086 9.086 8.416 0.670 25600 3428 1 8 . 1 1 91 91 THR N N 91 120.506 120.506 118.064 2.442 25600 3429 1 8 . 1 1 91 91 THR HA H 91 4.568 4.568 4.677 -0.109 25600 3430 1 8 . 1 1 91 91 THR CA C 91 59.348 59.348 59.808 -0.460 25600 3431 1 8 . 1 1 91 91 THR CB C 91 68.970 68.970 71.705 -2.735 25600 3432 1 8 . 1 1 91 91 THR H H 91 8.757 8.757 7.911 0.846 25600 3433 1 9 . 1 1 2 2 PRO HA H 2 4.277 4.277 5.097 -0.820 25600 3434 1 9 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.813 -1.592 25600 3435 1 9 . 1 1 2 2 PRO CB C 2 31.416 31.416 33.061 -1.645 25600 3436 1 9 . 1 1 3 3 ALA N N 3 123.804 123.804 123.552 0.252 25600 3437 1 9 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.482 -0.276 25600 3438 1 9 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.190 0.205 25600 3439 1 9 . 1 1 3 3 ALA CB C 3 18.840 18.840 20.666 -1.825 25600 3440 1 9 . 1 1 3 3 ALA H H 3 8.647 8.647 8.200 0.447 25600 3441 1 9 . 1 1 4 4 ALA N N 4 124.059 124.059 123.318 0.741 25600 3442 1 9 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.812 -0.103 25600 3443 1 9 . 1 1 4 4 ALA CA C 4 50.022 50.022 51.238 -1.216 25600 3444 1 9 . 1 1 4 4 ALA CB C 4 19.897 19.897 19.744 0.153 25600 3445 1 9 . 1 1 4 4 ALA H H 4 8.239 8.239 8.529 -0.290 25600 3446 1 9 . 1 1 5 5 LEU N N 5 124.019 124.019 122.151 1.868 25600 3447 1 9 . 1 1 5 5 LEU HA H 5 3.372 3.372 3.959 -0.587 25600 3448 1 9 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.243 -1.236 25600 3449 1 9 . 1 1 5 5 LEU CB C 5 41.242 41.242 42.108 -0.867 25600 3450 1 9 . 1 1 5 5 LEU H H 5 8.560 8.560 8.648 -0.088 25600 3451 1 9 . 1 1 6 6 VAL N N 6 123.356 123.356 118.672 4.684 25600 3452 1 9 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.406 -0.309 25600 3453 1 9 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.734 -0.394 25600 3454 1 9 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.889 -0.941 25600 3455 1 9 . 1 1 6 6 VAL H H 6 9.119 9.119 8.005 1.114 25600 3456 1 9 . 1 1 7 7 SER N N 7 112.134 112.134 112.477 -0.343 25600 3457 1 9 . 1 1 7 7 SER HA H 7 4.445 4.445 4.738 -0.293 25600 3458 1 9 . 1 1 7 7 SER CA C 7 56.349 56.349 57.345 -0.996 25600 3459 1 9 . 1 1 7 7 SER CB C 7 64.361 64.361 66.078 -1.716 25600 3460 1 9 . 1 1 7 7 SER H H 7 7.680 7.680 7.603 0.077 25600 3461 1 9 . 1 1 8 8 ILE N N 8 118.674 118.674 116.349 2.325 25600 3462 1 9 . 1 1 8 8 ILE HA H 8 4.673 4.673 4.791 -0.118 25600 3463 1 9 . 1 1 8 8 ILE CA C 8 59.146 59.146 60.063 -0.917 25600 3464 1 9 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.344 -0.670 25600 3465 1 9 . 1 1 8 8 ILE H H 8 8.354 8.354 8.159 0.195 25600 3466 1 9 . 1 1 9 9 SER N N 9 121.318 121.318 120.374 0.944 25600 3467 1 9 . 1 1 9 9 SER HA H 9 4.863 4.863 4.882 -0.019 25600 3468 1 9 . 1 1 9 9 SER CA C 9 55.381 55.381 57.235 -1.854 25600 3469 1 9 . 1 1 9 9 SER CB C 9 64.243 64.243 63.887 0.356 25600 3470 1 9 . 1 1 9 9 SER H H 9 9.028 9.028 8.811 0.217 25600 3471 1 9 . 1 1 10 10 VAL N N 10 127.509 127.509 122.128 5.381 25600 3472 1 9 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.664 0.386 25600 3473 1 9 . 1 1 10 10 VAL CA C 10 60.912 60.912 59.806 1.107 25600 3474 1 9 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.717 -0.330 25600 3475 1 9 . 1 1 10 10 VAL H H 10 8.911 8.911 8.404 0.507 25600 3476 1 9 . 1 1 11 11 SER N N 11 121.861 121.861 122.288 -0.427 25600 3477 1 9 . 1 1 11 11 SER CB C 11 64.373 64.373 63.094 1.279 25600 3478 1 9 . 1 1 11 11 SER H H 11 9.205 9.205 8.188 1.017 25600 3479 1 9 . 1 1 12 12 PRO HA H 12 4.704 4.704 3.782 0.922 25600 3480 1 9 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.363 -1.464 25600 3481 1 9 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.172 1.917 25600 3482 1 9 . 1 1 13 13 THR N N 13 116.138 116.138 117.598 -1.460 25600 3483 1 9 . 1 1 13 13 THR HA H 13 4.770 4.770 4.386 0.384 25600 3484 1 9 . 1 1 13 13 THR CA C 13 60.153 60.153 61.356 -1.203 25600 3485 1 9 . 1 1 13 13 THR CB C 13 69.426 69.426 69.556 -0.131 25600 3486 1 9 . 1 1 13 13 THR H H 13 8.679 8.679 8.056 0.623 25600 3487 1 9 . 1 1 14 14 ASN N N 14 124.457 124.457 124.701 -0.244 25600 3488 1 9 . 1 1 14 14 ASN HA H 14 4.695 4.695 4.976 -0.281 25600 3489 1 9 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.064 1.064 25600 3490 1 9 . 1 1 14 14 ASN CB C 14 36.593 36.593 38.658 -2.066 25600 3491 1 9 . 1 1 14 14 ASN H H 14 8.710 8.710 8.631 0.079 25600 3492 1 9 . 1 1 15 15 SER N N 15 113.673 113.673 117.178 -3.505 25600 3493 1 9 . 1 1 15 15 SER HA H 15 4.648 4.648 4.552 0.096 25600 3494 1 9 . 1 1 15 15 SER CA C 15 55.644 55.644 57.081 -1.437 25600 3495 1 9 . 1 1 15 15 SER CB C 15 63.953 63.953 65.531 -1.577 25600 3496 1 9 . 1 1 15 15 SER H H 15 9.127 9.127 7.434 1.693 25600 3497 1 9 . 1 1 16 16 THR N N 16 113.579 113.579 114.341 -0.762 25600 3498 1 9 . 1 1 16 16 THR HA H 16 4.976 4.976 5.090 -0.114 25600 3499 1 9 . 1 1 16 16 THR CA C 16 58.445 58.445 60.775 -2.330 25600 3500 1 9 . 1 1 16 16 THR CB C 16 70.534 70.534 70.058 0.476 25600 3501 1 9 . 1 1 16 16 THR H H 16 7.962 7.962 8.239 -0.277 25600 3502 1 9 . 1 1 17 17 VAL N N 17 121.479 121.479 122.701 -1.222 25600 3503 1 9 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.453 -0.133 25600 3504 1 9 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.678 0.258 25600 3505 1 9 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.763 -0.359 25600 3506 1 9 . 1 1 17 17 VAL H H 17 7.969 7.969 8.232 -0.263 25600 3507 1 9 . 1 1 18 18 ALA N N 18 126.014 126.014 127.310 -1.296 25600 3508 1 9 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.474 -0.299 25600 3509 1 9 . 1 1 18 18 ALA CA C 18 50.963 50.963 52.058 -1.095 25600 3510 1 9 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.753 -0.831 25600 3511 1 9 . 1 1 18 18 ALA H H 18 7.756 7.756 8.323 -0.567 25600 3512 1 9 . 1 1 19 19 LYS N N 19 119.741 119.741 123.741 -4.000 25600 3513 1 9 . 1 1 19 19 LYS HA H 19 3.487 3.487 3.909 -0.422 25600 3514 1 9 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.407 0.365 25600 3515 1 9 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.500 -0.898 25600 3516 1 9 . 1 1 19 19 LYS H H 19 7.893 7.893 8.204 -0.311 25600 3517 1 9 . 1 1 20 20 GLY N N 20 116.709 116.709 115.302 1.407 25600 3518 1 9 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.124 -1.361 25600 3519 1 9 . 1 1 20 20 GLY H H 20 8.615 8.615 8.518 0.097 25600 3520 1 9 . 1 1 21 21 LEU N N 21 123.004 123.004 120.832 2.172 25600 3521 1 9 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.853 -0.265 25600 3522 1 9 . 1 1 21 21 LEU CA C 21 53.365 53.365 53.395 -0.029 25600 3523 1 9 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.624 -5.662 25600 3524 1 9 . 1 1 21 21 LEU H H 21 8.013 8.013 7.736 0.277 25600 3525 1 9 . 1 1 22 22 GLN N N 22 117.504 117.504 118.707 -1.203 25600 3526 1 9 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.192 -0.064 25600 3527 1 9 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.021 -0.352 25600 3528 1 9 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.473 -0.558 25600 3529 1 9 . 1 1 22 22 GLN H H 22 8.223 8.223 8.355 -0.132 25600 3530 1 9 . 1 1 23 23 GLU N N 23 118.125 118.125 123.865 -5.740 25600 3531 1 9 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.755 -0.192 25600 3532 1 9 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.079 -2.212 25600 3533 1 9 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.026 -0.152 25600 3534 1 9 . 1 1 23 23 GLU H H 23 8.188 8.188 8.467 -0.279 25600 3535 1 9 . 1 1 24 24 ASN N N 24 125.841 125.841 122.852 2.989 25600 3536 1 9 . 1 1 24 24 ASN HA H 24 4.778 4.778 4.867 -0.089 25600 3537 1 9 . 1 1 24 24 ASN CA C 24 52.511 52.511 53.337 -0.826 25600 3538 1 9 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.206 0.540 25600 3539 1 9 . 1 1 24 24 ASN H H 24 9.391 9.391 8.640 0.751 25600 3540 1 9 . 1 1 25 25 PHE N N 25 122.823 122.823 121.629 1.194 25600 3541 1 9 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.565 0.086 25600 3542 1 9 . 1 1 25 25 PHE CA C 25 57.123 57.123 57.586 -0.463 25600 3543 1 9 . 1 1 25 25 PHE CB C 25 39.059 39.059 41.375 -2.316 25600 3544 1 9 . 1 1 25 25 PHE H H 25 8.062 8.062 8.393 -0.331 25600 3545 1 9 . 1 1 26 26 LYS N N 26 119.114 119.114 121.792 -2.678 25600 3546 1 9 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.571 0.673 25600 3547 1 9 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.496 -2.520 25600 3548 1 9 . 1 1 26 26 LYS CB C 26 34.661 34.661 35.445 -0.784 25600 3549 1 9 . 1 1 26 26 LYS H H 26 9.255 9.255 8.219 1.036 25600 3550 1 9 . 1 1 27 27 ALA N N 27 125.586 125.586 128.183 -2.597 25600 3551 1 9 . 1 1 27 27 ALA HA H 27 5.262 5.262 4.719 0.543 25600 3552 1 9 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.666 -2.849 25600 3553 1 9 . 1 1 27 27 ALA CB C 27 21.160 21.160 21.891 -0.731 25600 3554 1 9 . 1 1 27 27 ALA H H 27 9.120 9.120 8.629 0.491 25600 3555 1 9 . 1 1 28 28 THR N N 28 120.627 120.627 121.700 -1.073 25600 3556 1 9 . 1 1 28 28 THR HA H 28 4.837 4.837 4.938 -0.101 25600 3557 1 9 . 1 1 28 28 THR CA C 28 60.566 60.566 61.538 -0.972 25600 3558 1 9 . 1 1 28 28 THR CB C 28 69.478 69.478 71.206 -1.728 25600 3559 1 9 . 1 1 28 28 THR H H 28 9.062 9.062 8.327 0.735 25600 3560 1 9 . 1 1 29 29 GLY N N 29 115.788 115.788 113.572 2.216 25600 3561 1 9 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.589 0.727 25600 3562 1 9 . 1 1 29 29 GLY H H 29 9.663 9.663 9.367 0.296 25600 3563 1 9 . 1 1 30 30 ILE N N 30 123.085 123.085 123.891 -0.806 25600 3564 1 9 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.520 0.258 25600 3565 1 9 . 1 1 30 30 ILE CA C 30 59.388 59.388 60.395 -1.007 25600 3566 1 9 . 1 1 30 30 ILE CB C 30 36.883 36.883 40.361 -3.478 25600 3567 1 9 . 1 1 30 30 ILE H H 30 7.914 7.914 8.654 -0.740 25600 3568 1 9 . 1 1 31 31 PHE N N 31 125.209 125.209 124.822 0.387 25600 3569 1 9 . 1 1 31 31 PHE HA H 31 5.370 5.370 4.815 0.555 25600 3570 1 9 . 1 1 31 31 PHE CA C 31 56.487 56.487 57.523 -1.036 25600 3571 1 9 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.330 -1.177 25600 3572 1 9 . 1 1 31 31 PHE H H 31 8.316 8.316 8.308 0.008 25600 3573 1 9 . 1 1 32 32 THR N N 32 113.843 113.843 116.086 -2.243 25600 3574 1 9 . 1 1 32 32 THR HA H 32 4.404 4.404 4.176 0.228 25600 3575 1 9 . 1 1 32 32 THR CA C 32 64.157 64.157 64.383 -0.226 25600 3576 1 9 . 1 1 32 32 THR CB C 32 68.540 68.540 69.013 -0.473 25600 3577 1 9 . 1 1 32 32 THR H H 32 9.335 9.335 8.560 0.775 25600 3578 1 9 . 1 1 33 33 ASP N N 33 118.800 118.800 118.922 -0.122 25600 3579 1 9 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.631 -0.010 25600 3580 1 9 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.443 -1.480 25600 3581 1 9 . 1 1 33 33 ASP CB C 33 38.494 38.494 39.745 -1.251 25600 3582 1 9 . 1 1 33 33 ASP H H 33 7.689 7.689 8.163 -0.474 25600 3583 1 9 . 1 1 34 34 ASN N N 34 112.995 112.995 113.839 -0.844 25600 3584 1 9 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.315 0.033 25600 3585 1 9 . 1 1 34 34 ASN CA C 34 54.346 54.346 55.177 -0.831 25600 3586 1 9 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.323 0.167 25600 3587 1 9 . 1 1 34 34 ASN H H 34 8.370 8.370 8.244 0.126 25600 3588 1 9 . 1 1 35 35 SER N N 35 115.545 115.545 116.789 -1.244 25600 3589 1 9 . 1 1 35 35 SER HA H 35 4.413 4.413 4.628 -0.215 25600 3590 1 9 . 1 1 35 35 SER CA C 35 57.882 57.882 57.595 0.287 25600 3591 1 9 . 1 1 35 35 SER CB C 35 63.770 63.770 63.730 0.040 25600 3592 1 9 . 1 1 35 35 SER H H 35 7.990 7.990 8.699 -0.709 25600 3593 1 9 . 1 1 36 36 ASN N N 36 116.053 116.053 123.699 -7.646 25600 3594 1 9 . 1 1 36 36 ASN HA H 36 2.890 2.890 5.360 -2.470 25600 3595 1 9 . 1 1 36 36 ASN CA C 36 50.674 50.674 52.649 -1.975 25600 3596 1 9 . 1 1 36 36 ASN CB C 36 41.799 41.799 39.738 2.061 25600 3597 1 9 . 1 1 36 36 ASN H H 36 8.518 8.518 8.362 0.156 25600 3598 1 9 . 1 1 37 37 SER N N 37 113.191 113.191 116.584 -3.393 25600 3599 1 9 . 1 1 37 37 SER HA H 37 4.715 4.715 4.782 -0.067 25600 3600 1 9 . 1 1 37 37 SER CA C 37 56.801 56.801 56.981 -0.180 25600 3601 1 9 . 1 1 37 37 SER CB C 37 64.872 64.872 65.558 -0.686 25600 3602 1 9 . 1 1 37 37 SER H H 37 8.667 8.667 8.749 -0.082 25600 3603 1 9 . 1 1 38 38 ASP N N 38 123.962 123.962 121.196 2.766 25600 3604 1 9 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.967 0.020 25600 3605 1 9 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.436 0.765 25600 3606 1 9 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.821 -1.892 25600 3607 1 9 . 1 1 38 38 ASP H H 38 8.848 8.848 8.498 0.350 25600 3608 1 9 . 1 1 39 39 ILE N N 39 121.216 121.216 124.968 -3.752 25600 3609 1 9 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.772 1.099 25600 3610 1 9 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.384 -2.677 25600 3611 1 9 . 1 1 39 39 ILE CB C 39 37.086 37.086 37.682 -0.596 25600 3612 1 9 . 1 1 39 39 ILE H H 39 8.815 8.815 8.976 -0.161 25600 3613 1 9 . 1 1 40 40 THR N N 40 122.867 122.867 115.675 7.192 25600 3614 1 9 . 1 1 40 40 THR HA H 40 4.288 4.288 4.188 0.100 25600 3615 1 9 . 1 1 40 40 THR CB C 40 68.527 68.527 69.118 -0.591 25600 3616 1 9 . 1 1 40 40 THR H H 40 8.679 8.679 8.187 0.492 25600 3617 1 9 . 1 1 41 41 ASP N N 41 114.081 114.081 118.871 -4.790 25600 3618 1 9 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.827 -1.129 25600 3619 1 9 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.176 -0.698 25600 3620 1 9 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.641 -1.923 25600 3621 1 9 . 1 1 41 41 ASP H H 41 8.539 8.539 8.575 -0.036 25600 3622 1 9 . 1 1 42 42 GLN N N 42 117.087 117.087 116.471 0.616 25600 3623 1 9 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.014 0.137 25600 3624 1 9 . 1 1 42 42 GLN CA C 42 55.536 55.536 55.854 -0.318 25600 3625 1 9 . 1 1 42 42 GLN CB C 42 30.216 30.216 26.469 3.747 25600 3626 1 9 . 1 1 42 42 GLN H H 42 7.718 7.718 7.413 0.305 25600 3627 1 9 . 1 1 43 43 VAL N N 43 109.916 109.916 120.594 -10.678 25600 3628 1 9 . 1 1 43 43 VAL HA H 43 4.089 4.089 4.150 -0.061 25600 3629 1 9 . 1 1 43 43 VAL CA C 43 58.840 58.840 63.307 -4.467 25600 3630 1 9 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.510 -1.237 25600 3631 1 9 . 1 1 43 43 VAL H H 43 6.902 6.902 8.091 -1.189 25600 3632 1 9 . 1 1 44 44 THR N N 44 116.272 116.272 126.886 -10.614 25600 3633 1 9 . 1 1 44 44 THR HA H 44 4.315 4.315 4.680 -0.365 25600 3634 1 9 . 1 1 44 44 THR CA C 44 61.651 61.651 62.439 -0.788 25600 3635 1 9 . 1 1 44 44 THR CB C 44 68.890 68.890 69.209 -0.319 25600 3636 1 9 . 1 1 44 44 THR H H 44 8.787 8.787 8.297 0.490 25600 3637 1 9 . 1 1 45 45 TRP N N 45 132.098 132.098 126.227 5.871 25600 3638 1 9 . 1 1 45 45 TRP HA H 45 5.245 5.245 5.491 -0.246 25600 3639 1 9 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.344 1.042 25600 3640 1 9 . 1 1 45 45 TRP CB C 45 30.077 30.077 31.045 -0.968 25600 3641 1 9 . 1 1 45 45 TRP H H 45 10.351 10.351 8.367 1.984 25600 3642 1 9 . 1 1 46 46 ASP N N 46 121.897 121.897 121.040 0.857 25600 3643 1 9 . 1 1 46 46 ASP HA H 46 4.857 4.857 4.580 0.277 25600 3644 1 9 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.835 -1.038 25600 3645 1 9 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.034 0.041 25600 3646 1 9 . 1 1 46 46 ASP H H 46 9.471 9.471 8.219 1.252 25600 3647 1 9 . 1 1 47 47 SER N N 47 113.805 113.805 115.905 -2.100 25600 3648 1 9 . 1 1 47 47 SER HA H 47 5.043 5.043 5.102 -0.059 25600 3649 1 9 . 1 1 47 47 SER CA C 47 53.059 53.059 56.807 -3.748 25600 3650 1 9 . 1 1 47 47 SER CB C 47 64.880 64.880 64.028 0.853 25600 3651 1 9 . 1 1 47 47 SER H H 47 8.502 8.502 8.408 0.094 25600 3652 1 9 . 1 1 48 48 SER N N 48 119.614 119.614 119.868 -0.254 25600 3653 1 9 . 1 1 48 48 SER HA H 48 4.264 4.264 4.284 -0.020 25600 3654 1 9 . 1 1 48 48 SER CA C 48 59.404 59.404 59.889 -0.485 25600 3655 1 9 . 1 1 48 48 SER CB C 48 62.026 62.026 63.471 -1.445 25600 3656 1 9 . 1 1 48 48 SER H H 48 8.517 8.517 8.433 0.084 25600 3657 1 9 . 1 1 49 49 ASN N N 49 118.260 118.260 118.447 -0.187 25600 3658 1 9 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.516 0.382 25600 3659 1 9 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.151 -1.310 25600 3660 1 9 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.411 -0.691 25600 3661 1 9 . 1 1 49 49 ASN H H 49 7.816 7.816 7.626 0.190 25600 3662 1 9 . 1 1 50 50 THR N N 50 119.288 119.288 117.656 1.632 25600 3663 1 9 . 1 1 50 50 THR HA H 50 4.541 4.541 4.484 0.057 25600 3664 1 9 . 1 1 50 50 THR CA C 50 62.137 62.137 63.737 -1.600 25600 3665 1 9 . 1 1 50 50 THR CB C 50 67.100 67.100 70.391 -3.291 25600 3666 1 9 . 1 1 50 50 THR H H 50 9.049 9.049 8.428 0.621 25600 3667 1 9 . 1 1 51 51 ASP N N 51 118.825 118.825 119.045 -0.220 25600 3668 1 9 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.728 -0.142 25600 3669 1 9 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.611 0.079 25600 3670 1 9 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.657 -2.999 25600 3671 1 9 . 1 1 51 51 ASP H H 51 8.251 8.251 8.388 -0.137 25600 3672 1 9 . 1 1 52 52 ILE N N 52 118.411 118.411 119.265 -0.854 25600 3673 1 9 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.196 -0.271 25600 3674 1 9 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.302 0.379 25600 3675 1 9 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.586 -0.690 25600 3676 1 9 . 1 1 52 52 ILE H H 52 7.169 7.169 7.568 -0.399 25600 3677 1 9 . 1 1 53 53 LEU N N 53 120.126 120.126 124.873 -4.747 25600 3678 1 9 . 1 1 53 53 LEU HA H 53 5.021 5.021 5.347 -0.326 25600 3679 1 9 . 1 1 53 53 LEU CA C 53 53.281 53.281 52.865 0.416 25600 3680 1 9 . 1 1 53 53 LEU CB C 53 46.405 46.405 45.145 1.260 25600 3681 1 9 . 1 1 53 53 LEU H H 53 7.876 7.876 8.066 -0.190 25600 3682 1 9 . 1 1 54 54 SER N N 54 122.252 122.252 116.094 6.158 25600 3683 1 9 . 1 1 54 54 SER HA H 54 4.959 4.959 4.659 0.300 25600 3684 1 9 . 1 1 54 54 SER CA C 54 54.724 54.724 56.630 -1.906 25600 3685 1 9 . 1 1 54 54 SER CB C 54 64.417 64.417 65.240 -0.823 25600 3686 1 9 . 1 1 54 54 SER H H 54 8.650 8.650 8.480 0.169 25600 3687 1 9 . 1 1 55 55 ILE N N 55 123.973 123.973 124.275 -0.302 25600 3688 1 9 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.102 0.799 25600 3689 1 9 . 1 1 55 55 ILE CA C 55 58.868 58.868 59.387 -0.519 25600 3690 1 9 . 1 1 55 55 ILE CB C 55 41.418 41.418 38.798 2.620 25600 3691 1 9 . 1 1 55 55 ILE H H 55 9.081 9.081 8.183 0.898 25600 3692 1 9 . 1 1 56 56 SER N N 56 119.540 119.540 121.286 -1.746 25600 3693 1 9 . 1 1 56 56 SER HA H 56 4.387 4.387 4.531 -0.144 25600 3694 1 9 . 1 1 56 56 SER CA C 56 56.626 56.626 56.865 -0.239 25600 3695 1 9 . 1 1 56 56 SER CB C 56 63.106 63.106 64.812 -1.706 25600 3696 1 9 . 1 1 56 56 SER H H 56 7.905 7.905 8.531 -0.626 25600 3697 1 9 . 1 1 57 57 ASN N N 57 124.207 124.207 123.188 1.019 25600 3698 1 9 . 1 1 57 57 ASN HA H 57 5.019 5.019 5.331 -0.312 25600 3699 1 9 . 1 1 57 57 ASN CA C 57 52.469 52.469 52.866 -0.397 25600 3700 1 9 . 1 1 57 57 ASN CB C 57 40.090 40.090 40.690 -0.600 25600 3701 1 9 . 1 1 57 57 ASN H H 57 8.945 8.945 8.477 0.468 25600 3702 1 9 . 1 1 58 58 ALA N N 58 124.301 124.301 125.587 -1.286 25600 3703 1 9 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.768 -0.635 25600 3704 1 9 . 1 1 58 58 ALA CA C 58 51.287 51.287 51.121 0.166 25600 3705 1 9 . 1 1 58 58 ALA CB C 58 18.354 18.354 21.219 -2.865 25600 3706 1 9 . 1 1 58 58 ALA H H 58 8.150 8.150 7.988 0.162 25600 3707 1 9 . 1 1 59 59 SER N N 59 113.299 113.299 114.861 -1.562 25600 3708 1 9 . 1 1 59 59 SER HA H 59 4.698 4.698 4.394 0.304 25600 3709 1 9 . 1 1 59 59 SER CA C 59 60.003 60.003 60.433 -0.430 25600 3710 1 9 . 1 1 59 59 SER CB C 59 62.574 62.574 63.474 -0.900 25600 3711 1 9 . 1 1 59 59 SER H H 59 8.377 8.377 8.631 -0.254 25600 3712 1 9 . 1 1 60 60 ASP N N 60 116.275 116.275 118.579 -2.304 25600 3713 1 9 . 1 1 60 60 ASP HA H 60 4.661 4.661 4.915 -0.254 25600 3714 1 9 . 1 1 60 60 ASP CA C 60 52.769 52.769 54.174 -1.405 25600 3715 1 9 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.290 -1.578 25600 3716 1 9 . 1 1 60 60 ASP H H 60 8.311 8.311 8.067 0.244 25600 3717 1 9 . 1 1 61 61 SER N N 61 112.650 112.650 117.692 -5.042 25600 3718 1 9 . 1 1 61 61 SER HA H 61 4.630 4.630 4.807 -0.177 25600 3719 1 9 . 1 1 61 61 SER CA C 61 56.180 56.180 57.697 -1.517 25600 3720 1 9 . 1 1 61 61 SER CB C 61 61.843 61.843 63.723 -1.880 25600 3721 1 9 . 1 1 61 61 SER H H 61 7.588 7.588 7.425 0.163 25600 3722 1 9 . 1 1 62 62 HIS N N 62 119.790 119.790 120.910 -1.120 25600 3723 1 9 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.479 -0.432 25600 3724 1 9 . 1 1 62 62 HIS CA C 62 56.919 56.919 55.943 0.976 25600 3725 1 9 . 1 1 62 62 HIS CB C 62 27.524 27.524 29.879 -2.355 25600 3726 1 9 . 1 1 62 62 HIS H H 62 8.029 8.029 8.310 -0.281 25600 3727 1 9 . 1 1 63 63 GLY N N 63 113.301 113.301 107.961 5.340 25600 3728 1 9 . 1 1 63 63 GLY CA C 63 43.653 43.653 45.837 -2.184 25600 3729 1 9 . 1 1 63 63 GLY H H 63 8.733 8.733 8.865 -0.132 25600 3730 1 9 . 1 1 64 64 LEU N N 64 120.664 120.664 118.818 1.846 25600 3731 1 9 . 1 1 64 64 LEU HA H 64 4.386 4.386 4.677 -0.291 25600 3732 1 9 . 1 1 64 64 LEU CA C 64 54.893 54.893 54.682 0.211 25600 3733 1 9 . 1 1 64 64 LEU CB C 64 41.463 41.463 41.435 0.028 25600 3734 1 9 . 1 1 64 64 LEU H H 64 7.679 7.679 8.223 -0.544 25600 3735 1 9 . 1 1 65 65 ALA N N 65 108.346 108.346 123.694 -15.348 25600 3736 1 9 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.134 1.268 25600 3737 1 9 . 1 1 65 65 ALA CA C 65 49.267 49.267 52.869 -3.602 25600 3738 1 9 . 1 1 65 65 ALA CB C 65 21.555 21.555 19.339 2.216 25600 3739 1 9 . 1 1 65 65 ALA H H 65 9.874 9.874 8.417 1.457 25600 3740 1 9 . 1 1 66 66 SER N N 66 115.951 115.951 121.207 -5.256 25600 3741 1 9 . 1 1 66 66 SER HA H 66 4.909 4.909 5.324 -0.415 25600 3742 1 9 . 1 1 66 66 SER CA C 66 56.645 56.645 57.105 -0.460 25600 3743 1 9 . 1 1 66 66 SER CB C 66 63.823 63.823 64.272 -0.449 25600 3744 1 9 . 1 1 66 66 SER H H 66 8.938 8.938 8.633 0.305 25600 3745 1 9 . 1 1 67 67 THR N N 67 113.596 113.596 122.532 -8.936 25600 3746 1 9 . 1 1 67 67 THR HA H 67 4.649 4.649 4.463 0.186 25600 3747 1 9 . 1 1 67 67 THR CA C 67 59.216 59.216 61.604 -2.388 25600 3748 1 9 . 1 1 67 67 THR CB C 67 69.006 69.006 69.493 -0.487 25600 3749 1 9 . 1 1 67 67 THR H H 67 8.258 8.258 8.187 0.071 25600 3750 1 9 . 1 1 68 68 LEU N N 68 124.151 124.151 128.007 -3.856 25600 3751 1 9 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.652 -0.296 25600 3752 1 9 . 1 1 68 68 LEU CA C 68 55.112 55.112 52.523 2.589 25600 3753 1 9 . 1 1 68 68 LEU CB C 68 42.915 42.915 40.139 2.776 25600 3754 1 9 . 1 1 68 68 LEU H H 68 8.616 8.616 8.704 -0.088 25600 3755 1 9 . 1 1 69 69 ASN N N 69 115.821 115.821 117.571 -1.750 25600 3756 1 9 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.898 -0.254 25600 3757 1 9 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.877 -0.421 25600 3758 1 9 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.617 1.689 25600 3759 1 9 . 1 1 69 69 ASN H H 69 7.965 7.965 7.405 0.560 25600 3760 1 9 . 1 1 70 70 GLN N N 70 114.564 114.564 116.940 -2.376 25600 3761 1 9 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.763 -0.838 25600 3762 1 9 . 1 1 70 70 GLN CA C 70 55.237 55.237 54.627 0.610 25600 3763 1 9 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.592 0.414 25600 3764 1 9 . 1 1 70 70 GLN H H 70 8.287 8.287 8.561 -0.274 25600 3765 1 9 . 1 1 71 71 GLY N N 71 108.006 108.006 108.971 -0.965 25600 3766 1 9 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.099 -1.413 25600 3767 1 9 . 1 1 71 71 GLY H H 71 8.520 8.520 7.866 0.654 25600 3768 1 9 . 1 1 72 72 ASN N N 72 117.785 117.785 119.210 -1.425 25600 3769 1 9 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.325 0.148 25600 3770 1 9 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.307 -0.616 25600 3771 1 9 . 1 1 72 72 ASN CB C 72 39.896 39.896 40.603 -0.707 25600 3772 1 9 . 1 1 72 72 ASN H H 72 8.420 8.420 8.400 0.020 25600 3773 1 9 . 1 1 73 73 VAL N N 73 115.848 115.848 115.978 -0.130 25600 3774 1 9 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.648 -0.117 25600 3775 1 9 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.577 -0.602 25600 3776 1 9 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.437 -0.258 25600 3777 1 9 . 1 1 73 73 VAL H H 73 8.990 8.990 9.124 -0.134 25600 3778 1 9 . 1 1 74 74 LYS N N 74 123.195 123.195 123.308 -0.113 25600 3779 1 9 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.712 0.444 25600 3780 1 9 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.978 -1.097 25600 3781 1 9 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.437 0.161 25600 3782 1 9 . 1 1 74 74 LYS H H 74 8.715 8.715 8.572 0.143 25600 3783 1 9 . 1 1 75 75 VAL N N 75 129.522 129.522 129.169 0.353 25600 3784 1 9 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.661 -0.119 25600 3785 1 9 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.794 -0.978 25600 3786 1 9 . 1 1 75 75 VAL CB C 75 32.483 32.483 33.355 -0.872 25600 3787 1 9 . 1 1 75 75 VAL H H 75 8.975 8.975 8.408 0.567 25600 3788 1 9 . 1 1 76 76 THR N N 76 120.548 120.548 123.733 -3.185 25600 3789 1 9 . 1 1 76 76 THR HA H 76 5.066 5.066 4.871 0.195 25600 3790 1 9 . 1 1 76 76 THR CA C 76 59.783 59.783 60.780 -0.997 25600 3791 1 9 . 1 1 76 76 THR CB C 76 70.733 70.733 71.154 -0.421 25600 3792 1 9 . 1 1 76 76 THR H H 76 8.650 8.650 8.165 0.485 25600 3793 1 9 . 1 1 77 77 ALA N N 77 126.454 126.454 127.253 -0.799 25600 3794 1 9 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.141 -0.761 25600 3795 1 9 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.699 -2.269 25600 3796 1 9 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.386 -1.842 25600 3797 1 9 . 1 1 77 77 ALA H H 77 8.674 8.674 9.087 -0.413 25600 3798 1 9 . 1 1 78 78 SER N N 78 113.568 113.568 116.932 -3.364 25600 3799 1 9 . 1 1 78 78 SER HA H 78 5.376 5.376 4.851 0.525 25600 3800 1 9 . 1 1 78 78 SER CA C 78 56.077 56.077 58.414 -2.337 25600 3801 1 9 . 1 1 78 78 SER CB C 78 65.730 65.730 66.633 -0.903 25600 3802 1 9 . 1 1 78 78 SER H H 78 8.117 8.117 8.357 -0.240 25600 3803 1 9 . 1 1 79 79 ILE N N 79 121.071 121.071 122.910 -1.839 25600 3804 1 9 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.486 -0.345 25600 3805 1 9 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.246 0.878 25600 3806 1 9 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.927 -2.118 25600 3807 1 9 . 1 1 79 79 ILE H H 79 8.446 8.446 7.888 0.558 25600 3808 1 9 . 1 1 80 80 GLY N N 80 117.157 117.157 115.409 1.748 25600 3809 1 9 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.505 -0.499 25600 3810 1 9 . 1 1 80 80 GLY H H 80 8.899 8.899 8.691 0.208 25600 3811 1 9 . 1 1 81 81 GLY N N 81 110.716 110.716 111.342 -0.626 25600 3812 1 9 . 1 1 81 81 GLY CA C 81 44.378 44.378 45.160 -0.782 25600 3813 1 9 . 1 1 81 81 GLY H H 81 8.742 8.742 7.960 0.782 25600 3814 1 9 . 1 1 82 82 ILE N N 82 124.112 124.112 122.020 2.092 25600 3815 1 9 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.290 -0.090 25600 3816 1 9 . 1 1 82 82 ILE CA C 82 59.033 59.033 59.870 -0.837 25600 3817 1 9 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.587 -1.810 25600 3818 1 9 . 1 1 82 82 ILE H H 82 8.188 8.188 8.073 0.115 25600 3819 1 9 . 1 1 83 83 GLN N N 83 122.453 122.453 120.855 1.598 25600 3820 1 9 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.522 0.873 25600 3821 1 9 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.392 -1.372 25600 3822 1 9 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.562 -0.047 25600 3823 1 9 . 1 1 83 83 GLN H H 83 8.423 8.423 8.239 0.184 25600 3824 1 9 . 1 1 84 84 GLY N N 84 111.437 111.437 107.498 3.939 25600 3825 1 9 . 1 1 84 84 GLY CA C 84 43.698 43.698 44.467 -0.769 25600 3826 1 9 . 1 1 84 84 GLY H H 84 8.931 8.931 8.697 0.234 25600 3827 1 9 . 1 1 85 85 SER N N 85 113.877 113.877 115.303 -1.426 25600 3828 1 9 . 1 1 85 85 SER HA H 85 5.841 5.841 5.021 0.820 25600 3829 1 9 . 1 1 85 85 SER CA C 85 56.264 56.264 56.591 -0.327 25600 3830 1 9 . 1 1 85 85 SER CB C 85 66.946 66.946 66.332 0.614 25600 3831 1 9 . 1 1 85 85 SER H H 85 8.710 8.710 8.345 0.365 25600 3832 1 9 . 1 1 86 86 THR N N 86 115.389 115.389 113.947 1.442 25600 3833 1 9 . 1 1 86 86 THR HA H 86 4.772 4.772 4.701 0.071 25600 3834 1 9 . 1 1 86 86 THR CA C 86 60.313 60.313 61.470 -1.157 25600 3835 1 9 . 1 1 86 86 THR CB C 86 69.953 69.953 71.443 -1.490 25600 3836 1 9 . 1 1 86 86 THR H H 86 8.854 8.854 8.585 0.269 25600 3837 1 9 . 1 1 87 87 ASP N N 87 124.623 124.623 122.321 2.302 25600 3838 1 9 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.870 0.566 25600 3839 1 9 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.503 0.293 25600 3840 1 9 . 1 1 87 87 ASP CB C 87 42.010 42.010 43.138 -1.128 25600 3841 1 9 . 1 1 87 87 ASP H H 87 7.953 7.953 8.423 -0.470 25600 3842 1 9 . 1 1 88 88 PHE N N 88 123.577 123.577 124.309 -0.732 25600 3843 1 9 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.220 -0.289 25600 3844 1 9 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.908 0.060 25600 3845 1 9 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.584 -0.700 25600 3846 1 9 . 1 1 88 88 PHE H H 88 9.094 9.094 8.741 0.353 25600 3847 1 9 . 1 1 89 89 LYS N N 89 126.965 126.965 126.607 0.358 25600 3848 1 9 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.994 0.044 25600 3849 1 9 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.347 -1.458 25600 3850 1 9 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.572 -0.903 25600 3851 1 9 . 1 1 89 89 LYS H H 89 7.269 7.269 8.370 -1.101 25600 3852 1 9 . 1 1 90 90 VAL N N 90 126.148 126.148 128.714 -2.566 25600 3853 1 9 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.259 -0.248 25600 3854 1 9 . 1 1 90 90 VAL CA C 90 59.547 59.547 59.221 0.327 25600 3855 1 9 . 1 1 90 90 VAL CB C 90 30.948 30.948 34.679 -3.731 25600 3856 1 9 . 1 1 90 90 VAL H H 90 9.086 9.086 8.753 0.333 25600 3857 1 9 . 1 1 91 91 THR N N 91 120.506 120.506 122.435 -1.929 25600 3858 1 9 . 1 1 91 91 THR HA H 91 4.568 4.568 4.755 -0.187 25600 3859 1 9 . 1 1 91 91 THR CA C 91 59.348 59.348 60.376 -1.028 25600 3860 1 9 . 1 1 91 91 THR CB C 91 68.970 68.970 71.627 -2.657 25600 3861 1 9 . 1 1 91 91 THR H H 91 8.757 8.757 8.079 0.678 25600 3862 1 10 . 1 1 2 2 PRO HA H 2 4.277 4.277 4.628 -0.351 25600 3863 1 10 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.641 -1.420 25600 3864 1 10 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.921 -1.505 25600 3865 1 10 . 1 1 3 3 ALA N N 3 123.804 123.804 123.740 0.064 25600 3866 1 10 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.495 -0.289 25600 3867 1 10 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.398 -0.003 25600 3868 1 10 . 1 1 3 3 ALA CB C 3 18.840 18.840 19.712 -0.872 25600 3869 1 10 . 1 1 3 3 ALA H H 3 8.647 8.647 8.282 0.365 25600 3870 1 10 . 1 1 4 4 ALA N N 4 124.059 124.059 127.452 -3.393 25600 3871 1 10 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.807 -0.098 25600 3872 1 10 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.482 -0.460 25600 3873 1 10 . 1 1 4 4 ALA CB C 4 19.897 19.897 19.672 0.226 25600 3874 1 10 . 1 1 4 4 ALA H H 4 8.239 8.239 8.620 -0.381 25600 3875 1 10 . 1 1 5 5 LEU N N 5 124.019 124.019 122.769 1.250 25600 3876 1 10 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.169 -0.797 25600 3877 1 10 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.387 -1.379 25600 3878 1 10 . 1 1 5 5 LEU CB C 5 41.242 41.242 42.243 -1.001 25600 3879 1 10 . 1 1 5 5 LEU H H 5 8.560 8.560 8.755 -0.195 25600 3880 1 10 . 1 1 6 6 VAL N N 6 123.356 123.356 116.629 6.727 25600 3881 1 10 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.227 -0.130 25600 3882 1 10 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.779 -0.439 25600 3883 1 10 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.894 -0.946 25600 3884 1 10 . 1 1 6 6 VAL H H 6 9.119 9.119 8.013 1.106 25600 3885 1 10 . 1 1 7 7 SER N N 7 112.134 112.134 112.842 -0.708 25600 3886 1 10 . 1 1 7 7 SER HA H 7 4.445 4.445 4.801 -0.356 25600 3887 1 10 . 1 1 7 7 SER CA C 7 56.349 56.349 57.428 -1.079 25600 3888 1 10 . 1 1 7 7 SER CB C 7 64.361 64.361 66.507 -2.146 25600 3889 1 10 . 1 1 7 7 SER H H 7 7.680 7.680 7.694 -0.014 25600 3890 1 10 . 1 1 8 8 ILE N N 8 118.674 118.674 115.720 2.954 25600 3891 1 10 . 1 1 8 8 ILE HA H 8 4.673 4.673 4.898 -0.225 25600 3892 1 10 . 1 1 8 8 ILE CA C 8 59.146 59.146 60.118 -0.972 25600 3893 1 10 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.422 -0.748 25600 3894 1 10 . 1 1 8 8 ILE H H 8 8.354 8.354 8.189 0.165 25600 3895 1 10 . 1 1 9 9 SER N N 9 121.318 121.318 121.013 0.305 25600 3896 1 10 . 1 1 9 9 SER HA H 9 4.863 4.863 4.900 -0.037 25600 3897 1 10 . 1 1 9 9 SER CA C 9 55.381 55.381 57.821 -2.440 25600 3898 1 10 . 1 1 9 9 SER CB C 9 64.243 64.243 63.699 0.544 25600 3899 1 10 . 1 1 9 9 SER H H 9 9.028 9.028 8.676 0.352 25600 3900 1 10 . 1 1 10 10 VAL N N 10 127.509 127.509 120.674 6.835 25600 3901 1 10 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.800 0.250 25600 3902 1 10 . 1 1 10 10 VAL CA C 10 60.912 60.912 59.939 0.973 25600 3903 1 10 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.703 -0.316 25600 3904 1 10 . 1 1 10 10 VAL H H 10 8.911 8.911 8.363 0.548 25600 3905 1 10 . 1 1 11 11 SER N N 11 121.861 121.861 122.357 -0.496 25600 3906 1 10 . 1 1 11 11 SER CB C 11 64.373 64.373 63.657 0.716 25600 3907 1 10 . 1 1 11 11 SER H H 11 9.205 9.205 8.190 1.015 25600 3908 1 10 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.195 0.509 25600 3909 1 10 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.304 -1.405 25600 3910 1 10 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.614 1.475 25600 3911 1 10 . 1 1 13 13 THR N N 13 116.138 116.138 117.336 -1.198 25600 3912 1 10 . 1 1 13 13 THR HA H 13 4.770 4.770 4.418 0.352 25600 3913 1 10 . 1 1 13 13 THR CA C 13 60.153 60.153 61.617 -1.464 25600 3914 1 10 . 1 1 13 13 THR CB C 13 69.426 69.426 70.271 -0.845 25600 3915 1 10 . 1 1 13 13 THR H H 13 8.679 8.679 8.399 0.280 25600 3916 1 10 . 1 1 14 14 ASN N N 14 124.457 124.457 124.970 -0.513 25600 3917 1 10 . 1 1 14 14 ASN HA H 14 4.695 4.695 4.961 -0.266 25600 3918 1 10 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.119 1.009 25600 3919 1 10 . 1 1 14 14 ASN CB C 14 36.593 36.593 39.270 -2.678 25600 3920 1 10 . 1 1 14 14 ASN H H 14 8.710 8.710 8.607 0.103 25600 3921 1 10 . 1 1 15 15 SER N N 15 113.673 113.673 118.435 -4.762 25600 3922 1 10 . 1 1 15 15 SER HA H 15 4.648 4.648 4.602 0.046 25600 3923 1 10 . 1 1 15 15 SER CA C 15 55.644 55.644 57.313 -1.669 25600 3924 1 10 . 1 1 15 15 SER CB C 15 63.953 63.953 65.278 -1.325 25600 3925 1 10 . 1 1 15 15 SER H H 15 9.127 9.127 7.500 1.627 25600 3926 1 10 . 1 1 16 16 THR N N 16 113.579 113.579 112.826 0.753 25600 3927 1 10 . 1 1 16 16 THR HA H 16 4.976 4.976 5.091 -0.115 25600 3928 1 10 . 1 1 16 16 THR CA C 16 58.445 58.445 60.930 -2.485 25600 3929 1 10 . 1 1 16 16 THR CB C 16 70.534 70.534 70.309 0.225 25600 3930 1 10 . 1 1 16 16 THR H H 16 7.962 7.962 8.193 -0.231 25600 3931 1 10 . 1 1 17 17 VAL N N 17 121.479 121.479 122.889 -1.410 25600 3932 1 10 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.410 -0.090 25600 3933 1 10 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.393 0.544 25600 3934 1 10 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.958 -0.554 25600 3935 1 10 . 1 1 17 17 VAL H H 17 7.969 7.969 8.221 -0.252 25600 3936 1 10 . 1 1 18 18 ALA N N 18 126.014 126.014 127.690 -1.676 25600 3937 1 10 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.349 -0.174 25600 3938 1 10 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.711 -0.748 25600 3939 1 10 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.710 -0.788 25600 3940 1 10 . 1 1 18 18 ALA H H 18 7.756 7.756 8.202 -0.446 25600 3941 1 10 . 1 1 19 19 LYS N N 19 119.741 119.741 122.961 -3.220 25600 3942 1 10 . 1 1 19 19 LYS HA H 19 3.487 3.487 3.911 -0.424 25600 3943 1 10 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.296 0.476 25600 3944 1 10 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.566 -0.964 25600 3945 1 10 . 1 1 19 19 LYS H H 19 7.893 7.893 8.335 -0.442 25600 3946 1 10 . 1 1 20 20 GLY N N 20 116.709 116.709 114.153 2.556 25600 3947 1 10 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.094 -1.331 25600 3948 1 10 . 1 1 20 20 GLY H H 20 8.615 8.615 8.320 0.295 25600 3949 1 10 . 1 1 21 21 LEU N N 21 123.004 123.004 123.899 -0.895 25600 3950 1 10 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.695 -0.107 25600 3951 1 10 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.044 -0.679 25600 3952 1 10 . 1 1 21 21 LEU CB C 21 40.962 40.962 45.944 -4.982 25600 3953 1 10 . 1 1 21 21 LEU H H 21 8.013 8.013 7.882 0.131 25600 3954 1 10 . 1 1 22 22 GLN N N 22 117.504 117.504 117.117 0.387 25600 3955 1 10 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.082 0.046 25600 3956 1 10 . 1 1 22 22 GLN CA C 22 53.669 53.669 55.144 -1.475 25600 3957 1 10 . 1 1 22 22 GLN CB C 22 30.914 30.914 32.005 -1.091 25600 3958 1 10 . 1 1 22 22 GLN H H 22 8.223 8.223 8.381 -0.158 25600 3959 1 10 . 1 1 23 23 GLU N N 23 118.125 118.125 123.189 -5.064 25600 3960 1 10 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.687 -0.124 25600 3961 1 10 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.851 -1.984 25600 3962 1 10 . 1 1 23 23 GLU CB C 23 32.874 32.874 32.987 -0.113 25600 3963 1 10 . 1 1 23 23 GLU H H 23 8.188 8.188 8.634 -0.446 25600 3964 1 10 . 1 1 24 24 ASN N N 24 125.841 125.841 124.656 1.185 25600 3965 1 10 . 1 1 24 24 ASN HA H 24 4.778 4.778 4.678 0.100 25600 3966 1 10 . 1 1 24 24 ASN CA C 24 52.511 52.511 53.701 -1.190 25600 3967 1 10 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.342 0.404 25600 3968 1 10 . 1 1 24 24 ASN H H 24 9.391 9.391 8.631 0.760 25600 3969 1 10 . 1 1 25 25 PHE N N 25 122.823 122.823 121.673 1.150 25600 3970 1 10 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.538 0.113 25600 3971 1 10 . 1 1 25 25 PHE CA C 25 57.123 57.123 57.596 -0.473 25600 3972 1 10 . 1 1 25 25 PHE CB C 25 39.059 39.059 42.117 -3.058 25600 3973 1 10 . 1 1 25 25 PHE H H 25 8.062 8.062 8.173 -0.111 25600 3974 1 10 . 1 1 26 26 LYS N N 26 119.114 119.114 122.982 -3.868 25600 3975 1 10 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.576 0.668 25600 3976 1 10 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.964 -2.988 25600 3977 1 10 . 1 1 26 26 LYS CB C 26 34.661 34.661 35.318 -0.657 25600 3978 1 10 . 1 1 26 26 LYS H H 26 9.255 9.255 7.787 1.468 25600 3979 1 10 . 1 1 27 27 ALA N N 27 125.586 125.586 127.714 -2.128 25600 3980 1 10 . 1 1 27 27 ALA HA H 27 5.262 5.262 4.991 0.271 25600 3981 1 10 . 1 1 27 27 ALA CA C 27 48.817 48.817 50.872 -2.055 25600 3982 1 10 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.313 -1.153 25600 3983 1 10 . 1 1 27 27 ALA H H 27 9.120 9.120 8.707 0.413 25600 3984 1 10 . 1 1 28 28 THR N N 28 120.627 120.627 119.322 1.305 25600 3985 1 10 . 1 1 28 28 THR HA H 28 4.837 4.837 4.776 0.061 25600 3986 1 10 . 1 1 28 28 THR CA C 28 60.566 60.566 60.678 -0.112 25600 3987 1 10 . 1 1 28 28 THR CB C 28 69.478 69.478 70.287 -0.809 25600 3988 1 10 . 1 1 28 28 THR H H 28 9.062 9.062 8.347 0.715 25600 3989 1 10 . 1 1 29 29 GLY N N 29 115.788 115.788 113.488 2.300 25600 3990 1 10 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.820 0.496 25600 3991 1 10 . 1 1 29 29 GLY H H 29 9.663 9.663 9.394 0.269 25600 3992 1 10 . 1 1 30 30 ILE N N 30 123.085 123.085 123.889 -0.804 25600 3993 1 10 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.529 0.249 25600 3994 1 10 . 1 1 30 30 ILE CA C 30 59.388 59.388 58.680 0.708 25600 3995 1 10 . 1 1 30 30 ILE CB C 30 36.883 36.883 39.887 -3.004 25600 3996 1 10 . 1 1 30 30 ILE H H 30 7.914 7.914 8.834 -0.920 25600 3997 1 10 . 1 1 31 31 PHE N N 31 125.209 125.209 123.009 2.200 25600 3998 1 10 . 1 1 31 31 PHE HA H 31 5.370 5.370 4.764 0.606 25600 3999 1 10 . 1 1 31 31 PHE CA C 31 56.487 56.487 57.069 -0.582 25600 4000 1 10 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.735 -1.582 25600 4001 1 10 . 1 1 31 31 PHE H H 31 8.316 8.316 8.564 -0.248 25600 4002 1 10 . 1 1 32 32 THR N N 32 113.843 113.843 116.308 -2.465 25600 4003 1 10 . 1 1 32 32 THR HA H 32 4.404 4.404 4.178 0.226 25600 4004 1 10 . 1 1 32 32 THR CA C 32 64.157 64.157 64.499 -0.341 25600 4005 1 10 . 1 1 32 32 THR CB C 32 68.540 68.540 68.814 -0.274 25600 4006 1 10 . 1 1 32 32 THR H H 32 9.335 9.335 8.898 0.437 25600 4007 1 10 . 1 1 33 33 ASP N N 33 118.800 118.800 120.146 -1.346 25600 4008 1 10 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.713 -0.092 25600 4009 1 10 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.562 -1.599 25600 4010 1 10 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.465 -1.971 25600 4011 1 10 . 1 1 33 33 ASP H H 33 7.689 7.689 8.409 -0.720 25600 4012 1 10 . 1 1 34 34 ASN N N 34 112.995 112.995 113.556 -0.561 25600 4013 1 10 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.402 -0.054 25600 4014 1 10 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.673 -0.327 25600 4015 1 10 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.783 -0.293 25600 4016 1 10 . 1 1 34 34 ASN H H 34 8.370 8.370 7.971 0.399 25600 4017 1 10 . 1 1 35 35 SER N N 35 115.545 115.545 115.214 0.331 25600 4018 1 10 . 1 1 35 35 SER HA H 35 4.413 4.413 4.697 -0.284 25600 4019 1 10 . 1 1 35 35 SER CA C 35 57.882 57.882 56.954 0.928 25600 4020 1 10 . 1 1 35 35 SER CB C 35 63.770 63.770 64.028 -0.259 25600 4021 1 10 . 1 1 35 35 SER H H 35 7.990 7.990 8.030 -0.040 25600 4022 1 10 . 1 1 36 36 ASN N N 36 116.053 116.053 126.709 -10.656 25600 4023 1 10 . 1 1 36 36 ASN HA H 36 2.890 2.890 5.538 -2.648 25600 4024 1 10 . 1 1 36 36 ASN CA C 36 50.674 50.674 53.242 -2.568 25600 4025 1 10 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.033 1.766 25600 4026 1 10 . 1 1 36 36 ASN H H 36 8.518 8.518 8.671 -0.153 25600 4027 1 10 . 1 1 37 37 SER N N 37 113.191 113.191 115.844 -2.653 25600 4028 1 10 . 1 1 37 37 SER HA H 37 4.715 4.715 4.868 -0.153 25600 4029 1 10 . 1 1 37 37 SER CA C 37 56.801 56.801 57.083 -0.282 25600 4030 1 10 . 1 1 37 37 SER CB C 37 64.872 64.872 65.755 -0.883 25600 4031 1 10 . 1 1 37 37 SER H H 37 8.667 8.667 8.851 -0.184 25600 4032 1 10 . 1 1 38 38 ASP N N 38 123.962 123.962 121.582 2.380 25600 4033 1 10 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.938 0.049 25600 4034 1 10 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.907 0.294 25600 4035 1 10 . 1 1 38 38 ASP CB C 38 39.929 39.929 42.370 -2.441 25600 4036 1 10 . 1 1 38 38 ASP H H 38 8.848 8.848 8.507 0.341 25600 4037 1 10 . 1 1 39 39 ILE N N 39 121.216 121.216 125.445 -4.229 25600 4038 1 10 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.774 1.097 25600 4039 1 10 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.178 -2.471 25600 4040 1 10 . 1 1 39 39 ILE CB C 39 37.086 37.086 37.732 -0.646 25600 4041 1 10 . 1 1 39 39 ILE H H 39 8.815 8.815 8.423 0.392 25600 4042 1 10 . 1 1 40 40 THR N N 40 122.867 122.867 114.605 8.262 25600 4043 1 10 . 1 1 40 40 THR HA H 40 4.288 4.288 4.188 0.100 25600 4044 1 10 . 1 1 40 40 THR CB C 40 68.527 68.527 69.153 -0.626 25600 4045 1 10 . 1 1 40 40 THR H H 40 8.679 8.679 8.067 0.612 25600 4046 1 10 . 1 1 41 41 ASP N N 41 114.081 114.081 119.023 -4.942 25600 4047 1 10 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.844 -1.146 25600 4048 1 10 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.222 -0.744 25600 4049 1 10 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.722 -2.004 25600 4050 1 10 . 1 1 41 41 ASP H H 41 8.539 8.539 8.556 -0.017 25600 4051 1 10 . 1 1 42 42 GLN N N 42 117.087 117.087 116.709 0.378 25600 4052 1 10 . 1 1 42 42 GLN HA H 42 4.151 4.151 3.884 0.267 25600 4053 1 10 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.023 -0.487 25600 4054 1 10 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.213 3.003 25600 4055 1 10 . 1 1 42 42 GLN H H 42 7.718 7.718 7.357 0.361 25600 4056 1 10 . 1 1 43 43 VAL N N 43 109.916 109.916 122.863 -12.947 25600 4057 1 10 . 1 1 43 43 VAL HA H 43 4.089 4.089 4.362 -0.273 25600 4058 1 10 . 1 1 43 43 VAL CA C 43 58.840 58.840 62.347 -3.507 25600 4059 1 10 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.375 -1.102 25600 4060 1 10 . 1 1 43 43 VAL H H 43 6.902 6.902 8.265 -1.363 25600 4061 1 10 . 1 1 44 44 THR N N 44 116.272 116.272 124.340 -8.068 25600 4062 1 10 . 1 1 44 44 THR HA H 44 4.315 4.315 4.263 0.052 25600 4063 1 10 . 1 1 44 44 THR CA C 44 61.651 61.651 61.831 -0.180 25600 4064 1 10 . 1 1 44 44 THR CB C 44 68.890 68.890 68.964 -0.074 25600 4065 1 10 . 1 1 44 44 THR H H 44 8.787 8.787 8.256 0.531 25600 4066 1 10 . 1 1 45 45 TRP N N 45 132.098 132.098 126.652 5.446 25600 4067 1 10 . 1 1 45 45 TRP HA H 45 5.245 5.245 4.975 0.270 25600 4068 1 10 . 1 1 45 45 TRP CA C 45 55.387 55.387 53.952 1.435 25600 4069 1 10 . 1 1 45 45 TRP CB C 45 30.077 30.077 30.614 -0.537 25600 4070 1 10 . 1 1 45 45 TRP H H 45 10.351 10.351 8.160 2.191 25600 4071 1 10 . 1 1 46 46 ASP N N 46 121.897 121.897 121.641 0.256 25600 4072 1 10 . 1 1 46 46 ASP HA H 46 4.857 4.857 4.862 -0.005 25600 4073 1 10 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.430 -0.633 25600 4074 1 10 . 1 1 46 46 ASP CB C 46 45.075 45.075 43.133 1.942 25600 4075 1 10 . 1 1 46 46 ASP H H 46 9.471 9.471 8.203 1.268 25600 4076 1 10 . 1 1 47 47 SER N N 47 113.805 113.805 116.806 -3.001 25600 4077 1 10 . 1 1 47 47 SER HA H 47 5.043 5.043 5.322 -0.279 25600 4078 1 10 . 1 1 47 47 SER CA C 47 53.059 53.059 56.309 -3.250 25600 4079 1 10 . 1 1 47 47 SER CB C 47 64.880 64.880 66.484 -1.604 25600 4080 1 10 . 1 1 47 47 SER H H 47 8.502 8.502 8.281 0.221 25600 4081 1 10 . 1 1 48 48 SER N N 48 119.614 119.614 118.797 0.817 25600 4082 1 10 . 1 1 48 48 SER HA H 48 4.264 4.264 4.210 0.054 25600 4083 1 10 . 1 1 48 48 SER CA C 48 59.404 59.404 59.896 -0.492 25600 4084 1 10 . 1 1 48 48 SER CB C 48 62.026 62.026 63.577 -1.551 25600 4085 1 10 . 1 1 48 48 SER H H 48 8.517 8.517 8.325 0.192 25600 4086 1 10 . 1 1 49 49 ASN N N 49 118.260 118.260 115.263 2.997 25600 4087 1 10 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.499 0.399 25600 4088 1 10 . 1 1 49 49 ASN CA C 49 52.841 52.841 53.929 -1.088 25600 4089 1 10 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.405 -0.685 25600 4090 1 10 . 1 1 49 49 ASN H H 49 7.816 7.816 7.769 0.047 25600 4091 1 10 . 1 1 50 50 THR N N 50 119.288 119.288 117.112 2.176 25600 4092 1 10 . 1 1 50 50 THR HA H 50 4.541 4.541 4.372 0.169 25600 4093 1 10 . 1 1 50 50 THR CA C 50 62.137 62.137 63.415 -1.278 25600 4094 1 10 . 1 1 50 50 THR CB C 50 67.100 67.100 69.786 -2.686 25600 4095 1 10 . 1 1 50 50 THR H H 50 9.049 9.049 8.438 0.611 25600 4096 1 10 . 1 1 51 51 ASP N N 51 118.825 118.825 119.695 -0.870 25600 4097 1 10 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.840 -0.254 25600 4098 1 10 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.010 0.680 25600 4099 1 10 . 1 1 51 51 ASP CB C 51 39.658 39.658 43.150 -3.492 25600 4100 1 10 . 1 1 51 51 ASP H H 51 8.251 8.251 7.936 0.315 25600 4101 1 10 . 1 1 52 52 ILE N N 52 118.411 118.411 119.774 -1.363 25600 4102 1 10 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.158 -0.233 25600 4103 1 10 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.701 -0.020 25600 4104 1 10 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.762 -0.866 25600 4105 1 10 . 1 1 52 52 ILE H H 52 7.169 7.169 7.520 -0.351 25600 4106 1 10 . 1 1 53 53 LEU N N 53 120.126 120.126 125.711 -5.585 25600 4107 1 10 . 1 1 53 53 LEU HA H 53 5.021 5.021 4.996 0.025 25600 4108 1 10 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.402 -0.121 25600 4109 1 10 . 1 1 53 53 LEU CB C 53 46.405 46.405 44.683 1.722 25600 4110 1 10 . 1 1 53 53 LEU H H 53 7.876 7.876 8.042 -0.166 25600 4111 1 10 . 1 1 54 54 SER N N 54 122.252 122.252 115.933 6.319 25600 4112 1 10 . 1 1 54 54 SER HA H 54 4.959 4.959 4.775 0.184 25600 4113 1 10 . 1 1 54 54 SER CA C 54 54.724 54.724 56.846 -2.122 25600 4114 1 10 . 1 1 54 54 SER CB C 54 64.417 64.417 66.656 -2.239 25600 4115 1 10 . 1 1 54 54 SER H H 54 8.650 8.650 8.671 -0.021 25600 4116 1 10 . 1 1 55 55 ILE N N 55 123.973 123.973 124.295 -0.322 25600 4117 1 10 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.527 0.374 25600 4118 1 10 . 1 1 55 55 ILE CA C 55 58.868 58.868 59.229 -0.361 25600 4119 1 10 . 1 1 55 55 ILE CB C 55 41.418 41.418 38.925 2.494 25600 4120 1 10 . 1 1 55 55 ILE H H 55 9.081 9.081 8.568 0.513 25600 4121 1 10 . 1 1 56 56 SER N N 56 119.540 119.540 122.822 -3.282 25600 4122 1 10 . 1 1 56 56 SER HA H 56 4.387 4.387 4.790 -0.403 25600 4123 1 10 . 1 1 56 56 SER CA C 56 56.626 56.626 57.320 -0.694 25600 4124 1 10 . 1 1 56 56 SER CB C 56 63.106 63.106 64.858 -1.752 25600 4125 1 10 . 1 1 56 56 SER H H 56 7.905 7.905 8.903 -0.998 25600 4126 1 10 . 1 1 57 57 ASN N N 57 124.207 124.207 123.957 0.250 25600 4127 1 10 . 1 1 57 57 ASN HA H 57 5.019 5.019 5.046 -0.027 25600 4128 1 10 . 1 1 57 57 ASN CA C 57 52.469 52.469 51.633 0.836 25600 4129 1 10 . 1 1 57 57 ASN CB C 57 40.090 40.090 38.458 1.632 25600 4130 1 10 . 1 1 57 57 ASN H H 57 8.945 8.945 8.735 0.210 25600 4131 1 10 . 1 1 58 58 ALA N N 58 124.301 124.301 125.456 -1.155 25600 4132 1 10 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.248 -0.115 25600 4133 1 10 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.436 -1.149 25600 4134 1 10 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.816 -1.462 25600 4135 1 10 . 1 1 58 58 ALA H H 58 8.150 8.150 8.358 -0.208 25600 4136 1 10 . 1 1 59 59 SER N N 59 113.299 113.299 116.036 -2.737 25600 4137 1 10 . 1 1 59 59 SER HA H 59 4.698 4.698 4.139 0.559 25600 4138 1 10 . 1 1 59 59 SER CA C 59 60.003 60.003 60.216 -0.213 25600 4139 1 10 . 1 1 59 59 SER CB C 59 62.574 62.574 63.456 -0.882 25600 4140 1 10 . 1 1 59 59 SER H H 59 8.377 8.377 8.462 -0.085 25600 4141 1 10 . 1 1 60 60 ASP N N 60 116.275 116.275 121.517 -5.242 25600 4142 1 10 . 1 1 60 60 ASP HA H 60 4.661 4.661 4.561 0.100 25600 4143 1 10 . 1 1 60 60 ASP CA C 60 52.769 52.769 56.318 -3.549 25600 4144 1 10 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.144 -1.432 25600 4145 1 10 . 1 1 60 60 ASP H H 60 8.311 8.311 8.591 -0.280 25600 4146 1 10 . 1 1 61 61 SER N N 61 112.650 112.650 110.784 1.866 25600 4147 1 10 . 1 1 61 61 SER HA H 61 4.630 4.630 4.450 0.180 25600 4148 1 10 . 1 1 61 61 SER CA C 61 56.180 56.180 58.519 -2.339 25600 4149 1 10 . 1 1 61 61 SER CB C 61 61.843 61.843 63.913 -2.070 25600 4150 1 10 . 1 1 61 61 SER H H 61 7.588 7.588 8.070 -0.483 25600 4151 1 10 . 1 1 62 62 HIS N N 62 119.790 119.790 123.021 -3.231 25600 4152 1 10 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.892 -0.845 25600 4153 1 10 . 1 1 62 62 HIS CA C 62 56.919 56.919 57.164 -0.245 25600 4154 1 10 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.484 -2.960 25600 4155 1 10 . 1 1 62 62 HIS H H 62 8.029 8.029 8.338 -0.309 25600 4156 1 10 . 1 1 63 63 GLY N N 63 113.301 113.301 109.344 3.957 25600 4157 1 10 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.479 -0.826 25600 4158 1 10 . 1 1 63 63 GLY H H 63 8.733 8.733 8.285 0.448 25600 4159 1 10 . 1 1 64 64 LEU N N 64 120.664 120.664 113.091 7.573 25600 4160 1 10 . 1 1 64 64 LEU HA H 64 4.386 4.386 4.886 -0.500 25600 4161 1 10 . 1 1 64 64 LEU CA C 64 54.893 54.893 55.057 -0.164 25600 4162 1 10 . 1 1 64 64 LEU CB C 64 41.463 41.463 45.431 -3.967 25600 4163 1 10 . 1 1 64 64 LEU H H 64 7.679 7.679 8.640 -0.961 25600 4164 1 10 . 1 1 65 65 ALA N N 65 108.346 108.346 121.947 -13.601 25600 4165 1 10 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.745 0.657 25600 4166 1 10 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.638 -1.371 25600 4167 1 10 . 1 1 65 65 ALA CB C 65 21.555 21.555 21.013 0.542 25600 4168 1 10 . 1 1 65 65 ALA H H 65 9.874 9.874 8.453 1.421 25600 4169 1 10 . 1 1 66 66 SER N N 66 115.951 115.951 120.408 -4.457 25600 4170 1 10 . 1 1 66 66 SER HA H 66 4.909 4.909 5.440 -0.531 25600 4171 1 10 . 1 1 66 66 SER CA C 66 56.645 56.645 56.427 0.218 25600 4172 1 10 . 1 1 66 66 SER CB C 66 63.823 63.823 65.170 -1.347 25600 4173 1 10 . 1 1 66 66 SER H H 66 8.938 8.938 8.628 0.310 25600 4174 1 10 . 1 1 67 67 THR N N 67 113.596 113.596 119.879 -6.283 25600 4175 1 10 . 1 1 67 67 THR HA H 67 4.649 4.649 4.620 0.029 25600 4176 1 10 . 1 1 67 67 THR CA C 67 59.216 59.216 61.129 -1.913 25600 4177 1 10 . 1 1 67 67 THR CB C 67 69.006 69.006 70.058 -1.052 25600 4178 1 10 . 1 1 67 67 THR H H 67 8.258 8.258 8.162 0.096 25600 4179 1 10 . 1 1 68 68 LEU N N 68 124.151 124.151 124.015 0.136 25600 4180 1 10 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.624 -0.268 25600 4181 1 10 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.111 1.001 25600 4182 1 10 . 1 1 68 68 LEU CB C 68 42.915 42.915 41.590 1.325 25600 4183 1 10 . 1 1 68 68 LEU H H 68 8.616 8.616 8.185 0.431 25600 4184 1 10 . 1 1 69 69 ASN N N 69 115.821 115.821 115.651 0.170 25600 4185 1 10 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.797 -0.153 25600 4186 1 10 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.228 0.228 25600 4187 1 10 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.257 2.049 25600 4188 1 10 . 1 1 69 69 ASN H H 69 7.965 7.965 7.525 0.440 25600 4189 1 10 . 1 1 70 70 GLN N N 70 114.564 114.564 117.810 -3.246 25600 4190 1 10 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.691 -0.766 25600 4191 1 10 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.142 0.095 25600 4192 1 10 . 1 1 70 70 GLN CB C 70 29.006 29.006 29.081 -0.074 25600 4193 1 10 . 1 1 70 70 GLN H H 70 8.287 8.287 8.628 -0.341 25600 4194 1 10 . 1 1 71 71 GLY N N 71 108.006 108.006 108.359 -0.353 25600 4195 1 10 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.542 -1.856 25600 4196 1 10 . 1 1 71 71 GLY H H 71 8.520 8.520 8.201 0.319 25600 4197 1 10 . 1 1 72 72 ASN N N 72 117.785 117.785 119.311 -1.526 25600 4198 1 10 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.234 0.239 25600 4199 1 10 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.640 -0.949 25600 4200 1 10 . 1 1 72 72 ASN CB C 72 39.896 39.896 40.643 -0.747 25600 4201 1 10 . 1 1 72 72 ASN H H 72 8.420 8.420 8.416 0.004 25600 4202 1 10 . 1 1 73 73 VAL N N 73 115.848 115.848 122.571 -6.723 25600 4203 1 10 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.389 0.142 25600 4204 1 10 . 1 1 73 73 VAL CA C 73 58.975 58.975 60.550 -1.575 25600 4205 1 10 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.428 -0.249 25600 4206 1 10 . 1 1 73 73 VAL H H 73 8.990 8.990 9.179 -0.189 25600 4207 1 10 . 1 1 74 74 LYS N N 74 123.195 123.195 125.297 -2.102 25600 4208 1 10 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.639 0.517 25600 4209 1 10 . 1 1 74 74 LYS CA C 74 53.881 53.881 55.104 -1.223 25600 4210 1 10 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.042 0.555 25600 4211 1 10 . 1 1 74 74 LYS H H 74 8.715 8.715 8.617 0.098 25600 4212 1 10 . 1 1 75 75 VAL N N 75 129.522 129.522 129.639 -0.117 25600 4213 1 10 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.667 -0.125 25600 4214 1 10 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.421 -0.605 25600 4215 1 10 . 1 1 75 75 VAL CB C 75 32.483 32.483 32.656 -0.173 25600 4216 1 10 . 1 1 75 75 VAL H H 75 8.975 8.975 8.209 0.766 25600 4217 1 10 . 1 1 76 76 THR N N 76 120.548 120.548 123.601 -3.053 25600 4218 1 10 . 1 1 76 76 THR HA H 76 5.066 5.066 4.851 0.215 25600 4219 1 10 . 1 1 76 76 THR CA C 76 59.783 59.783 61.148 -1.365 25600 4220 1 10 . 1 1 76 76 THR CB C 76 70.733 70.733 71.591 -0.858 25600 4221 1 10 . 1 1 76 76 THR H H 76 8.650 8.650 8.455 0.195 25600 4222 1 10 . 1 1 77 77 ALA N N 77 126.454 126.454 127.810 -1.356 25600 4223 1 10 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.556 -1.176 25600 4224 1 10 . 1 1 77 77 ALA CA C 77 48.430 48.430 49.930 -1.500 25600 4225 1 10 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.444 -1.900 25600 4226 1 10 . 1 1 77 77 ALA H H 77 8.674 8.674 8.892 -0.218 25600 4227 1 10 . 1 1 78 78 SER N N 78 113.568 113.568 117.626 -4.058 25600 4228 1 10 . 1 1 78 78 SER HA H 78 5.376 5.376 4.908 0.468 25600 4229 1 10 . 1 1 78 78 SER CA C 78 56.077 56.077 57.919 -1.842 25600 4230 1 10 . 1 1 78 78 SER CB C 78 65.730 65.730 66.254 -0.524 25600 4231 1 10 . 1 1 78 78 SER H H 78 8.117 8.117 8.256 -0.139 25600 4232 1 10 . 1 1 79 79 ILE N N 79 121.071 121.071 124.660 -3.589 25600 4233 1 10 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.461 -0.320 25600 4234 1 10 . 1 1 79 79 ILE CA C 79 61.124 61.124 59.886 1.238 25600 4235 1 10 . 1 1 79 79 ILE CB C 79 38.809 38.809 41.207 -2.398 25600 4236 1 10 . 1 1 79 79 ILE H H 79 8.446 8.446 7.753 0.693 25600 4237 1 10 . 1 1 80 80 GLY N N 80 117.157 117.157 115.818 1.339 25600 4238 1 10 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.722 -0.716 25600 4239 1 10 . 1 1 80 80 GLY H H 80 8.899 8.899 8.791 0.108 25600 4240 1 10 . 1 1 81 81 GLY N N 81 110.716 110.716 110.647 0.069 25600 4241 1 10 . 1 1 81 81 GLY CA C 81 44.378 44.378 45.052 -0.674 25600 4242 1 10 . 1 1 81 81 GLY H H 81 8.742 8.742 8.200 0.542 25600 4243 1 10 . 1 1 82 82 ILE N N 82 124.112 124.112 122.060 2.052 25600 4244 1 10 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.248 -0.048 25600 4245 1 10 . 1 1 82 82 ILE CA C 82 59.033 59.033 60.350 -1.317 25600 4246 1 10 . 1 1 82 82 ILE CB C 82 36.777 36.777 37.926 -1.149 25600 4247 1 10 . 1 1 82 82 ILE H H 82 8.188 8.188 7.904 0.284 25600 4248 1 10 . 1 1 83 83 GLN N N 83 122.453 122.453 122.205 0.248 25600 4249 1 10 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.581 0.814 25600 4250 1 10 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.138 -1.118 25600 4251 1 10 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.781 -0.266 25600 4252 1 10 . 1 1 83 83 GLN H H 83 8.423 8.423 8.122 0.301 25600 4253 1 10 . 1 1 84 84 GLY N N 84 111.437 111.437 108.079 3.358 25600 4254 1 10 . 1 1 84 84 GLY CA C 84 43.698 43.698 43.835 -0.137 25600 4255 1 10 . 1 1 84 84 GLY H H 84 8.931 8.931 9.070 -0.139 25600 4256 1 10 . 1 1 85 85 SER N N 85 113.877 113.877 115.320 -1.443 25600 4257 1 10 . 1 1 85 85 SER HA H 85 5.841 5.841 5.022 0.819 25600 4258 1 10 . 1 1 85 85 SER CA C 85 56.264 56.264 57.091 -0.827 25600 4259 1 10 . 1 1 85 85 SER CB C 85 66.946 66.946 66.306 0.640 25600 4260 1 10 . 1 1 85 85 SER H H 85 8.710 8.710 8.392 0.318 25600 4261 1 10 . 1 1 86 86 THR N N 86 115.389 115.389 113.937 1.452 25600 4262 1 10 . 1 1 86 86 THR HA H 86 4.772 4.772 4.689 0.083 25600 4263 1 10 . 1 1 86 86 THR CA C 86 60.313 60.313 61.479 -1.166 25600 4264 1 10 . 1 1 86 86 THR CB C 86 69.953 69.953 71.675 -1.722 25600 4265 1 10 . 1 1 86 86 THR H H 86 8.854 8.854 8.657 0.197 25600 4266 1 10 . 1 1 87 87 ASP N N 87 124.623 124.623 122.613 2.010 25600 4267 1 10 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.889 0.547 25600 4268 1 10 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.404 0.392 25600 4269 1 10 . 1 1 87 87 ASP CB C 87 42.010 42.010 43.118 -1.108 25600 4270 1 10 . 1 1 87 87 ASP H H 87 7.953 7.953 8.386 -0.433 25600 4271 1 10 . 1 1 88 88 PHE N N 88 123.577 123.577 124.635 -1.058 25600 4272 1 10 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.218 -0.287 25600 4273 1 10 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.694 0.274 25600 4274 1 10 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.299 -0.415 25600 4275 1 10 . 1 1 88 88 PHE H H 88 9.094 9.094 8.629 0.465 25600 4276 1 10 . 1 1 89 89 LYS N N 89 126.965 126.965 125.231 1.734 25600 4277 1 10 . 1 1 89 89 LYS HA H 89 5.038 5.038 5.012 0.026 25600 4278 1 10 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.303 -1.415 25600 4279 1 10 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.565 -0.896 25600 4280 1 10 . 1 1 89 89 LYS H H 89 7.269 7.269 8.317 -1.048 25600 4281 1 10 . 1 1 90 90 VAL N N 90 126.148 126.148 127.486 -1.338 25600 4282 1 10 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.169 -0.158 25600 4283 1 10 . 1 1 90 90 VAL CA C 90 59.547 59.547 59.518 0.029 25600 4284 1 10 . 1 1 90 90 VAL CB C 90 30.948 30.948 34.919 -3.971 25600 4285 1 10 . 1 1 90 90 VAL H H 90 9.086 9.086 8.723 0.363 25600 4286 1 10 . 1 1 91 91 THR N N 91 120.506 120.506 118.876 1.630 25600 4287 1 10 . 1 1 91 91 THR HA H 91 4.568 4.568 4.698 -0.130 25600 4288 1 10 . 1 1 91 91 THR CA C 91 59.348 59.348 59.286 0.062 25600 4289 1 10 . 1 1 91 91 THR CB C 91 68.970 68.970 71.701 -2.732 25600 4290 1 10 . 1 1 91 91 THR H H 91 8.757 8.757 7.900 0.857 25600 4291 1 11 . 1 1 2 2 PRO HA H 2 4.277 4.277 4.548 -0.271 25600 4292 1 11 . 1 1 2 2 PRO CA C 2 61.221 61.221 63.084 -1.863 25600 4293 1 11 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.894 -1.478 25600 4294 1 11 . 1 1 3 3 ALA N N 3 123.804 123.804 125.825 -2.021 25600 4295 1 11 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.247 -0.041 25600 4296 1 11 . 1 1 3 3 ALA CA C 3 51.395 51.395 52.487 -1.092 25600 4297 1 11 . 1 1 3 3 ALA CB C 3 18.840 18.840 19.695 -0.855 25600 4298 1 11 . 1 1 3 3 ALA H H 3 8.647 8.647 8.178 0.469 25600 4299 1 11 . 1 1 4 4 ALA N N 4 124.059 124.059 122.419 1.640 25600 4300 1 11 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.386 0.323 25600 4301 1 11 . 1 1 4 4 ALA CA C 4 50.022 50.022 52.453 -2.431 25600 4302 1 11 . 1 1 4 4 ALA CB C 4 19.897 19.897 17.288 2.609 25600 4303 1 11 . 1 1 4 4 ALA H H 4 8.239 8.239 7.977 0.262 25600 4304 1 11 . 1 1 5 5 LEU N N 5 124.019 124.019 124.716 -0.697 25600 4305 1 11 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.652 -1.280 25600 4306 1 11 . 1 1 5 5 LEU CA C 5 55.008 55.008 54.949 0.059 25600 4307 1 11 . 1 1 5 5 LEU CB C 5 41.242 41.242 42.162 -0.920 25600 4308 1 11 . 1 1 5 5 LEU H H 5 8.560 8.560 8.327 0.233 25600 4309 1 11 . 1 1 6 6 VAL N N 6 123.356 123.356 122.840 0.516 25600 4310 1 11 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.308 -0.211 25600 4311 1 11 . 1 1 6 6 VAL CA C 6 62.340 62.340 63.004 -0.664 25600 4312 1 11 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.699 -0.750 25600 4313 1 11 . 1 1 6 6 VAL H H 6 9.119 9.119 8.277 0.842 25600 4314 1 11 . 1 1 7 7 SER N N 7 112.134 112.134 111.621 0.513 25600 4315 1 11 . 1 1 7 7 SER HA H 7 4.445 4.445 4.728 -0.283 25600 4316 1 11 . 1 1 7 7 SER CA C 7 56.349 56.349 57.629 -1.280 25600 4317 1 11 . 1 1 7 7 SER CB C 7 64.361 64.361 66.397 -2.036 25600 4318 1 11 . 1 1 7 7 SER H H 7 7.680 7.680 7.670 0.010 25600 4319 1 11 . 1 1 8 8 ILE N N 8 118.674 118.674 115.959 2.715 25600 4320 1 11 . 1 1 8 8 ILE HA H 8 4.673 4.673 4.868 -0.195 25600 4321 1 11 . 1 1 8 8 ILE CA C 8 59.146 59.146 60.160 -1.014 25600 4322 1 11 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.294 -0.620 25600 4323 1 11 . 1 1 8 8 ILE H H 8 8.354 8.354 8.191 0.163 25600 4324 1 11 . 1 1 9 9 SER N N 9 121.318 121.318 121.157 0.161 25600 4325 1 11 . 1 1 9 9 SER HA H 9 4.863 4.863 4.889 -0.026 25600 4326 1 11 . 1 1 9 9 SER CA C 9 55.381 55.381 57.740 -2.359 25600 4327 1 11 . 1 1 9 9 SER CB C 9 64.243 64.243 63.462 0.780 25600 4328 1 11 . 1 1 9 9 SER H H 9 9.028 9.028 8.569 0.459 25600 4329 1 11 . 1 1 10 10 VAL N N 10 127.509 127.509 121.164 6.345 25600 4330 1 11 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.600 0.450 25600 4331 1 11 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.546 0.366 25600 4332 1 11 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.928 -0.541 25600 4333 1 11 . 1 1 10 10 VAL H H 10 8.911 8.911 8.272 0.639 25600 4334 1 11 . 1 1 11 11 SER N N 11 121.861 121.861 122.002 -0.141 25600 4335 1 11 . 1 1 11 11 SER CB C 11 64.373 64.373 63.510 0.863 25600 4336 1 11 . 1 1 11 11 SER H H 11 9.205 9.205 8.671 0.534 25600 4337 1 11 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.502 0.202 25600 4338 1 11 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.548 -1.649 25600 4339 1 11 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.334 1.755 25600 4340 1 11 . 1 1 13 13 THR N N 13 116.138 116.138 116.914 -0.776 25600 4341 1 11 . 1 1 13 13 THR HA H 13 4.770 4.770 4.418 0.352 25600 4342 1 11 . 1 1 13 13 THR CA C 13 60.153 60.153 61.589 -1.436 25600 4343 1 11 . 1 1 13 13 THR CB C 13 69.426 69.426 70.133 -0.707 25600 4344 1 11 . 1 1 13 13 THR H H 13 8.679 8.679 8.213 0.466 25600 4345 1 11 . 1 1 14 14 ASN N N 14 124.457 124.457 126.190 -1.733 25600 4346 1 11 . 1 1 14 14 ASN HA H 14 4.695 4.695 4.742 -0.047 25600 4347 1 11 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.476 0.652 25600 4348 1 11 . 1 1 14 14 ASN CB C 14 36.593 36.593 38.432 -1.839 25600 4349 1 11 . 1 1 14 14 ASN H H 14 8.710 8.710 8.681 0.029 25600 4350 1 11 . 1 1 15 15 SER N N 15 113.673 113.673 117.898 -4.225 25600 4351 1 11 . 1 1 15 15 SER HA H 15 4.648 4.648 4.726 -0.078 25600 4352 1 11 . 1 1 15 15 SER CA C 15 55.644 55.644 56.918 -1.274 25600 4353 1 11 . 1 1 15 15 SER CB C 15 63.953 63.953 65.388 -1.435 25600 4354 1 11 . 1 1 15 15 SER H H 15 9.127 9.127 7.459 1.668 25600 4355 1 11 . 1 1 16 16 THR N N 16 113.579 113.579 112.259 1.320 25600 4356 1 11 . 1 1 16 16 THR HA H 16 4.976 4.976 4.925 0.051 25600 4357 1 11 . 1 1 16 16 THR CA C 16 58.445 58.445 60.956 -2.511 25600 4358 1 11 . 1 1 16 16 THR CB C 16 70.534 70.534 70.393 0.141 25600 4359 1 11 . 1 1 16 16 THR H H 16 7.962 7.962 8.292 -0.330 25600 4360 1 11 . 1 1 17 17 VAL N N 17 121.479 121.479 123.234 -1.755 25600 4361 1 11 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.445 -0.125 25600 4362 1 11 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.969 -0.032 25600 4363 1 11 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.502 -0.098 25600 4364 1 11 . 1 1 17 17 VAL H H 17 7.969 7.969 8.331 -0.362 25600 4365 1 11 . 1 1 18 18 ALA N N 18 126.014 126.014 127.721 -1.707 25600 4366 1 11 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.420 -0.245 25600 4367 1 11 . 1 1 18 18 ALA CA C 18 50.963 50.963 52.093 -1.129 25600 4368 1 11 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.500 -0.578 25600 4369 1 11 . 1 1 18 18 ALA H H 18 7.756 7.756 8.313 -0.557 25600 4370 1 11 . 1 1 19 19 LYS N N 19 119.741 119.741 124.722 -4.981 25600 4371 1 11 . 1 1 19 19 LYS HA H 19 3.487 3.487 3.871 -0.384 25600 4372 1 11 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.540 0.232 25600 4373 1 11 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.399 -0.797 25600 4374 1 11 . 1 1 19 19 LYS H H 19 7.893 7.893 7.885 0.008 25600 4375 1 11 . 1 1 20 20 GLY N N 20 116.709 116.709 114.079 2.630 25600 4376 1 11 . 1 1 20 20 GLY CA C 20 43.763 43.763 44.951 -1.188 25600 4377 1 11 . 1 1 20 20 GLY H H 20 8.615 8.615 8.298 0.317 25600 4378 1 11 . 1 1 21 21 LEU N N 21 123.004 123.004 119.595 3.409 25600 4379 1 11 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.863 -0.275 25600 4380 1 11 . 1 1 21 21 LEU CA C 21 53.365 53.365 53.302 0.063 25600 4381 1 11 . 1 1 21 21 LEU CB C 21 40.962 40.962 45.890 -4.928 25600 4382 1 11 . 1 1 21 21 LEU H H 21 8.013 8.013 8.191 -0.178 25600 4383 1 11 . 1 1 22 22 GLN N N 22 117.504 117.504 116.837 0.667 25600 4384 1 11 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.012 0.116 25600 4385 1 11 . 1 1 22 22 GLN CA C 22 53.669 53.669 53.826 -0.157 25600 4386 1 11 . 1 1 22 22 GLN CB C 22 30.914 30.914 32.019 -1.105 25600 4387 1 11 . 1 1 22 22 GLN H H 22 8.223 8.223 8.084 0.139 25600 4388 1 11 . 1 1 23 23 GLU N N 23 118.125 118.125 121.198 -3.073 25600 4389 1 11 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.586 -0.023 25600 4390 1 11 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.901 -2.034 25600 4391 1 11 . 1 1 23 23 GLU CB C 23 32.874 32.874 31.464 1.410 25600 4392 1 11 . 1 1 23 23 GLU H H 23 8.188 8.188 8.439 -0.251 25600 4393 1 11 . 1 1 24 24 ASN N N 24 125.841 125.841 121.756 4.085 25600 4394 1 11 . 1 1 24 24 ASN HA H 24 4.778 4.778 5.306 -0.528 25600 4395 1 11 . 1 1 24 24 ASN CA C 24 52.511 52.511 51.961 0.550 25600 4396 1 11 . 1 1 24 24 ASN CB C 24 39.746 39.746 40.285 -0.539 25600 4397 1 11 . 1 1 24 24 ASN H H 24 9.391 9.391 8.486 0.905 25600 4398 1 11 . 1 1 25 25 PHE N N 25 122.823 122.823 118.161 4.662 25600 4399 1 11 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.993 -0.342 25600 4400 1 11 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.191 0.932 25600 4401 1 11 . 1 1 25 25 PHE CB C 25 39.059 39.059 40.601 -1.542 25600 4402 1 11 . 1 1 25 25 PHE H H 25 8.062 8.062 7.953 0.109 25600 4403 1 11 . 1 1 26 26 LYS N N 26 119.114 119.114 119.673 -0.559 25600 4404 1 11 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.994 0.250 25600 4405 1 11 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.589 -2.613 25600 4406 1 11 . 1 1 26 26 LYS CB C 26 34.661 34.661 36.768 -2.107 25600 4407 1 11 . 1 1 26 26 LYS H H 26 9.255 9.255 8.848 0.407 25600 4408 1 11 . 1 1 27 27 ALA N N 27 125.586 125.586 124.275 1.311 25600 4409 1 11 . 1 1 27 27 ALA HA H 27 5.262 5.262 4.981 0.281 25600 4410 1 11 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.282 -2.465 25600 4411 1 11 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.229 -1.069 25600 4412 1 11 . 1 1 27 27 ALA H H 27 9.120 9.120 8.645 0.475 25600 4413 1 11 . 1 1 28 28 THR N N 28 120.627 120.627 119.120 1.507 25600 4414 1 11 . 1 1 28 28 THR HA H 28 4.837 4.837 4.648 0.189 25600 4415 1 11 . 1 1 28 28 THR CA C 28 60.566 60.566 61.352 -0.786 25600 4416 1 11 . 1 1 28 28 THR CB C 28 69.478 69.478 70.196 -0.718 25600 4417 1 11 . 1 1 28 28 THR H H 28 9.062 9.062 8.381 0.681 25600 4418 1 11 . 1 1 29 29 GLY N N 29 115.788 115.788 113.618 2.170 25600 4419 1 11 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.663 0.653 25600 4420 1 11 . 1 1 29 29 GLY H H 29 9.663 9.663 9.264 0.399 25600 4421 1 11 . 1 1 30 30 ILE N N 30 123.085 123.085 122.044 1.041 25600 4422 1 11 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.482 0.296 25600 4423 1 11 . 1 1 30 30 ILE CA C 30 59.388 59.388 58.033 1.355 25600 4424 1 11 . 1 1 30 30 ILE CB C 30 36.883 36.883 40.129 -3.246 25600 4425 1 11 . 1 1 30 30 ILE H H 30 7.914 7.914 8.682 -0.768 25600 4426 1 11 . 1 1 31 31 PHE N N 31 125.209 125.209 121.254 3.955 25600 4427 1 11 . 1 1 31 31 PHE HA H 31 5.370 5.370 4.981 0.389 25600 4428 1 11 . 1 1 31 31 PHE CA C 31 56.487 56.487 56.555 -0.068 25600 4429 1 11 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.007 -0.854 25600 4430 1 11 . 1 1 31 31 PHE H H 31 8.316 8.316 8.466 -0.150 25600 4431 1 11 . 1 1 32 32 THR N N 32 113.843 113.843 116.431 -2.588 25600 4432 1 11 . 1 1 32 32 THR HA H 32 4.404 4.404 4.149 0.255 25600 4433 1 11 . 1 1 32 32 THR CA C 32 64.157 64.157 65.089 -0.932 25600 4434 1 11 . 1 1 32 32 THR CB C 32 68.540 68.540 68.738 -0.198 25600 4435 1 11 . 1 1 32 32 THR H H 32 9.335 9.335 9.018 0.317 25600 4436 1 11 . 1 1 33 33 ASP N N 33 118.800 118.800 119.932 -1.132 25600 4437 1 11 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.657 -0.036 25600 4438 1 11 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.957 -1.994 25600 4439 1 11 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.429 -1.935 25600 4440 1 11 . 1 1 33 33 ASP H H 33 7.689 7.689 8.319 -0.630 25600 4441 1 11 . 1 1 34 34 ASN N N 34 112.995 112.995 113.415 -0.420 25600 4442 1 11 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.335 0.013 25600 4443 1 11 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.376 -0.030 25600 4444 1 11 . 1 1 34 34 ASN CB C 34 36.490 36.490 37.244 -0.754 25600 4445 1 11 . 1 1 34 34 ASN H H 34 8.370 8.370 7.974 0.396 25600 4446 1 11 . 1 1 35 35 SER N N 35 115.545 115.545 114.929 0.616 25600 4447 1 11 . 1 1 35 35 SER HA H 35 4.413 4.413 4.599 -0.186 25600 4448 1 11 . 1 1 35 35 SER CA C 35 57.882 57.882 57.582 0.300 25600 4449 1 11 . 1 1 35 35 SER CB C 35 63.770 63.770 63.643 0.127 25600 4450 1 11 . 1 1 35 35 SER H H 35 7.990 7.990 7.979 0.011 25600 4451 1 11 . 1 1 36 36 ASN N N 36 116.053 116.053 124.002 -7.949 25600 4452 1 11 . 1 1 36 36 ASN HA H 36 2.890 2.890 4.965 -2.075 25600 4453 1 11 . 1 1 36 36 ASN CA C 36 50.674 50.674 52.588 -1.914 25600 4454 1 11 . 1 1 36 36 ASN CB C 36 41.799 41.799 39.865 1.934 25600 4455 1 11 . 1 1 36 36 ASN H H 36 8.518 8.518 8.605 -0.087 25600 4456 1 11 . 1 1 37 37 SER N N 37 113.191 113.191 116.403 -3.212 25600 4457 1 11 . 1 1 37 37 SER HA H 37 4.715 4.715 4.767 -0.052 25600 4458 1 11 . 1 1 37 37 SER CA C 37 56.801 56.801 57.327 -0.526 25600 4459 1 11 . 1 1 37 37 SER CB C 37 64.872 64.872 65.911 -1.039 25600 4460 1 11 . 1 1 37 37 SER H H 37 8.667 8.667 8.709 -0.042 25600 4461 1 11 . 1 1 38 38 ASP N N 38 123.962 123.962 121.303 2.659 25600 4462 1 11 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.939 0.048 25600 4463 1 11 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.380 0.821 25600 4464 1 11 . 1 1 38 38 ASP CB C 38 39.929 39.929 40.855 -0.926 25600 4465 1 11 . 1 1 38 38 ASP H H 38 8.848 8.848 8.553 0.295 25600 4466 1 11 . 1 1 39 39 ILE N N 39 121.216 121.216 116.002 5.214 25600 4467 1 11 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.729 1.142 25600 4468 1 11 . 1 1 39 39 ILE CA C 39 59.707 59.707 61.833 -2.126 25600 4469 1 11 . 1 1 39 39 ILE CB C 39 37.086 37.086 34.815 2.271 25600 4470 1 11 . 1 1 39 39 ILE H H 39 8.815 8.815 8.379 0.436 25600 4471 1 11 . 1 1 40 40 THR N N 40 122.867 122.867 116.108 6.759 25600 4472 1 11 . 1 1 40 40 THR HA H 40 4.288 4.288 4.049 0.239 25600 4473 1 11 . 1 1 40 40 THR CB C 40 68.527 68.527 68.896 -0.369 25600 4474 1 11 . 1 1 40 40 THR H H 40 8.679 8.679 8.159 0.520 25600 4475 1 11 . 1 1 41 41 ASP N N 41 114.081 114.081 119.104 -5.023 25600 4476 1 11 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.834 -1.136 25600 4477 1 11 . 1 1 41 41 ASP CA C 41 53.478 53.478 53.850 -0.372 25600 4478 1 11 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.806 -2.088 25600 4479 1 11 . 1 1 41 41 ASP H H 41 8.539 8.539 8.328 0.211 25600 4480 1 11 . 1 1 42 42 GLN N N 42 117.087 117.087 117.132 -0.045 25600 4481 1 11 . 1 1 42 42 GLN HA H 42 4.151 4.151 3.954 0.197 25600 4482 1 11 . 1 1 42 42 GLN CA C 42 55.536 55.536 55.796 -0.260 25600 4483 1 11 . 1 1 42 42 GLN CB C 42 30.216 30.216 26.778 3.438 25600 4484 1 11 . 1 1 42 42 GLN H H 42 7.718 7.718 7.534 0.184 25600 4485 1 11 . 1 1 43 43 VAL N N 43 109.916 109.916 119.969 -10.053 25600 4486 1 11 . 1 1 43 43 VAL HA H 43 4.089 4.089 3.848 0.241 25600 4487 1 11 . 1 1 43 43 VAL CA C 43 58.840 58.840 62.594 -3.754 25600 4488 1 11 . 1 1 43 43 VAL CB C 43 31.273 31.273 30.098 1.175 25600 4489 1 11 . 1 1 43 43 VAL H H 43 6.902 6.902 7.891 -0.989 25600 4490 1 11 . 1 1 44 44 THR N N 44 116.272 116.272 124.597 -8.325 25600 4491 1 11 . 1 1 44 44 THR HA H 44 4.315 4.315 4.041 0.274 25600 4492 1 11 . 1 1 44 44 THR CA C 44 61.651 61.651 62.008 -0.357 25600 4493 1 11 . 1 1 44 44 THR CB C 44 68.890 68.890 68.108 0.782 25600 4494 1 11 . 1 1 44 44 THR H H 44 8.787 8.787 7.846 0.941 25600 4495 1 11 . 1 1 45 45 TRP N N 45 132.098 132.098 126.321 5.777 25600 4496 1 11 . 1 1 45 45 TRP HA H 45 5.245 5.245 5.637 -0.392 25600 4497 1 11 . 1 1 45 45 TRP CA C 45 55.387 55.387 53.929 1.458 25600 4498 1 11 . 1 1 45 45 TRP CB C 45 30.077 30.077 31.820 -1.743 25600 4499 1 11 . 1 1 45 45 TRP H H 45 10.351 10.351 7.674 2.677 25600 4500 1 11 . 1 1 46 46 ASP N N 46 121.897 121.897 121.284 0.613 25600 4501 1 11 . 1 1 46 46 ASP HA H 46 4.857 4.857 4.967 -0.110 25600 4502 1 11 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.787 -0.990 25600 4503 1 11 . 1 1 46 46 ASP CB C 46 45.075 45.075 44.794 0.281 25600 4504 1 11 . 1 1 46 46 ASP H H 46 9.471 9.471 8.471 1.000 25600 4505 1 11 . 1 1 47 47 SER N N 47 113.805 113.805 118.220 -4.415 25600 4506 1 11 . 1 1 47 47 SER HA H 47 5.043 5.043 5.287 -0.244 25600 4507 1 11 . 1 1 47 47 SER CA C 47 53.059 53.059 56.364 -3.305 25600 4508 1 11 . 1 1 47 47 SER CB C 47 64.880 64.880 65.107 -0.227 25600 4509 1 11 . 1 1 47 47 SER H H 47 8.502 8.502 8.555 -0.053 25600 4510 1 11 . 1 1 48 48 SER N N 48 119.614 119.614 120.716 -1.102 25600 4511 1 11 . 1 1 48 48 SER HA H 48 4.264 4.264 4.204 0.060 25600 4512 1 11 . 1 1 48 48 SER CA C 48 59.404 59.404 60.532 -1.128 25600 4513 1 11 . 1 1 48 48 SER CB C 48 62.026 62.026 63.406 -1.380 25600 4514 1 11 . 1 1 48 48 SER H H 48 8.517 8.517 8.753 -0.236 25600 4515 1 11 . 1 1 49 49 ASN N N 49 118.260 118.260 117.564 0.696 25600 4516 1 11 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.451 0.447 25600 4517 1 11 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.209 -1.368 25600 4518 1 11 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.508 -0.788 25600 4519 1 11 . 1 1 49 49 ASN H H 49 7.816 7.816 7.989 -0.173 25600 4520 1 11 . 1 1 50 50 THR N N 50 119.288 119.288 114.342 4.946 25600 4521 1 11 . 1 1 50 50 THR HA H 50 4.541 4.541 4.573 -0.032 25600 4522 1 11 . 1 1 50 50 THR CA C 50 62.137 62.137 63.321 -1.184 25600 4523 1 11 . 1 1 50 50 THR CB C 50 67.100 67.100 69.932 -2.832 25600 4524 1 11 . 1 1 50 50 THR H H 50 9.049 9.049 8.491 0.558 25600 4525 1 11 . 1 1 51 51 ASP N N 51 118.825 118.825 119.359 -0.534 25600 4526 1 11 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.752 -0.166 25600 4527 1 11 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.388 0.302 25600 4528 1 11 . 1 1 51 51 ASP CB C 51 39.658 39.658 43.048 -3.390 25600 4529 1 11 . 1 1 51 51 ASP H H 51 8.251 8.251 7.927 0.324 25600 4530 1 11 . 1 1 52 52 ILE N N 52 118.411 118.411 120.226 -1.815 25600 4531 1 11 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.321 -0.396 25600 4532 1 11 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.045 0.636 25600 4533 1 11 . 1 1 52 52 ILE CB C 52 38.896 38.896 40.153 -1.257 25600 4534 1 11 . 1 1 52 52 ILE H H 52 7.169 7.169 7.711 -0.542 25600 4535 1 11 . 1 1 53 53 LEU N N 53 120.126 120.126 128.678 -8.552 25600 4536 1 11 . 1 1 53 53 LEU HA H 53 5.021 5.021 5.322 -0.301 25600 4537 1 11 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.941 -0.660 25600 4538 1 11 . 1 1 53 53 LEU CB C 53 46.405 46.405 44.664 1.741 25600 4539 1 11 . 1 1 53 53 LEU H H 53 7.876 7.876 8.341 -0.465 25600 4540 1 11 . 1 1 54 54 SER N N 54 122.252 122.252 121.292 0.960 25600 4541 1 11 . 1 1 54 54 SER HA H 54 4.959 4.959 4.789 0.170 25600 4542 1 11 . 1 1 54 54 SER CA C 54 54.724 54.724 57.141 -2.417 25600 4543 1 11 . 1 1 54 54 SER CB C 54 64.417 64.417 66.228 -1.811 25600 4544 1 11 . 1 1 54 54 SER H H 54 8.650 8.650 8.955 -0.305 25600 4545 1 11 . 1 1 55 55 ILE N N 55 123.973 123.973 125.566 -1.593 25600 4546 1 11 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.771 0.130 25600 4547 1 11 . 1 1 55 55 ILE CA C 55 58.868 58.868 60.379 -1.511 25600 4548 1 11 . 1 1 55 55 ILE CB C 55 41.418 41.418 41.225 0.193 25600 4549 1 11 . 1 1 55 55 ILE H H 55 9.081 9.081 8.553 0.528 25600 4550 1 11 . 1 1 56 56 SER N N 56 119.540 119.540 121.254 -1.714 25600 4551 1 11 . 1 1 56 56 SER HA H 56 4.387 4.387 4.861 -0.474 25600 4552 1 11 . 1 1 56 56 SER CA C 56 56.626 56.626 57.274 -0.648 25600 4553 1 11 . 1 1 56 56 SER CB C 56 63.106 63.106 65.365 -2.259 25600 4554 1 11 . 1 1 56 56 SER H H 56 7.905 7.905 8.459 -0.554 25600 4555 1 11 . 1 1 57 57 ASN N N 57 124.207 124.207 121.918 2.289 25600 4556 1 11 . 1 1 57 57 ASN HA H 57 5.019 5.019 5.150 -0.131 25600 4557 1 11 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.489 -1.020 25600 4558 1 11 . 1 1 57 57 ASN CB C 57 40.090 40.090 38.603 1.487 25600 4559 1 11 . 1 1 57 57 ASN H H 57 8.945 8.945 8.812 0.133 25600 4560 1 11 . 1 1 58 58 ALA N N 58 124.301 124.301 124.703 -0.402 25600 4561 1 11 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.259 -0.126 25600 4562 1 11 . 1 1 58 58 ALA CA C 58 51.287 51.287 53.243 -1.956 25600 4563 1 11 . 1 1 58 58 ALA CB C 58 18.354 18.354 18.902 -0.548 25600 4564 1 11 . 1 1 58 58 ALA H H 58 8.150 8.150 7.948 0.202 25600 4565 1 11 . 1 1 59 59 SER N N 59 113.299 113.299 115.603 -2.304 25600 4566 1 11 . 1 1 59 59 SER HA H 59 4.698 4.698 4.226 0.472 25600 4567 1 11 . 1 1 59 59 SER CA C 59 60.003 60.003 60.590 -0.587 25600 4568 1 11 . 1 1 59 59 SER CB C 59 62.574 62.574 63.401 -0.827 25600 4569 1 11 . 1 1 59 59 SER H H 59 8.377 8.377 8.383 -0.006 25600 4570 1 11 . 1 1 60 60 ASP N N 60 116.275 116.275 117.036 -0.761 25600 4571 1 11 . 1 1 60 60 ASP HA H 60 4.661 4.661 4.714 -0.053 25600 4572 1 11 . 1 1 60 60 ASP CA C 60 52.769 52.769 54.212 -1.443 25600 4573 1 11 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.590 -1.878 25600 4574 1 11 . 1 1 60 60 ASP H H 60 8.311 8.311 7.491 0.820 25600 4575 1 11 . 1 1 61 61 SER N N 61 112.650 112.650 112.196 0.454 25600 4576 1 11 . 1 1 61 61 SER HA H 61 4.630 4.630 4.177 0.453 25600 4577 1 11 . 1 1 61 61 SER CA C 61 56.180 56.180 58.919 -2.740 25600 4578 1 11 . 1 1 61 61 SER CB C 61 61.843 61.843 62.544 -0.701 25600 4579 1 11 . 1 1 61 61 SER H H 61 7.588 7.588 7.859 -0.271 25600 4580 1 11 . 1 1 62 62 HIS N N 62 119.790 119.790 115.780 4.010 25600 4581 1 11 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.713 -0.666 25600 4582 1 11 . 1 1 62 62 HIS CA C 62 56.919 56.919 54.901 2.018 25600 4583 1 11 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.482 -2.958 25600 4584 1 11 . 1 1 62 62 HIS H H 62 8.029 8.029 7.226 0.803 25600 4585 1 11 . 1 1 63 63 GLY N N 63 113.301 113.301 108.343 4.958 25600 4586 1 11 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.319 -0.666 25600 4587 1 11 . 1 1 63 63 GLY H H 63 8.733 8.733 8.728 0.005 25600 4588 1 11 . 1 1 64 64 LEU N N 64 120.664 120.664 125.258 -4.594 25600 4589 1 11 . 1 1 64 64 LEU HA H 64 4.386 4.386 4.856 -0.470 25600 4590 1 11 . 1 1 64 64 LEU CA C 64 54.893 54.893 53.095 1.798 25600 4591 1 11 . 1 1 64 64 LEU CB C 64 41.463 41.463 44.689 -3.226 25600 4592 1 11 . 1 1 64 64 LEU H H 64 7.679 7.679 7.493 0.186 25600 4593 1 11 . 1 1 65 65 ALA N N 65 108.346 108.346 125.842 -17.496 25600 4594 1 11 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.695 0.707 25600 4595 1 11 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.199 -0.932 25600 4596 1 11 . 1 1 65 65 ALA CB C 65 21.555 21.555 20.567 0.988 25600 4597 1 11 . 1 1 65 65 ALA H H 65 9.874 9.874 8.476 1.398 25600 4598 1 11 . 1 1 66 66 SER N N 66 115.951 115.951 121.185 -5.234 25600 4599 1 11 . 1 1 66 66 SER HA H 66 4.909 4.909 5.159 -0.250 25600 4600 1 11 . 1 1 66 66 SER CA C 66 56.645 56.645 56.582 0.063 25600 4601 1 11 . 1 1 66 66 SER CB C 66 63.823 63.823 64.327 -0.504 25600 4602 1 11 . 1 1 66 66 SER H H 66 8.938 8.938 8.710 0.228 25600 4603 1 11 . 1 1 67 67 THR N N 67 113.596 113.596 118.856 -5.260 25600 4604 1 11 . 1 1 67 67 THR HA H 67 4.649 4.649 5.080 -0.431 25600 4605 1 11 . 1 1 67 67 THR CA C 67 59.216 59.216 60.297 -1.081 25600 4606 1 11 . 1 1 67 67 THR CB C 67 69.006 69.006 71.962 -2.956 25600 4607 1 11 . 1 1 67 67 THR H H 67 8.258 8.258 8.917 -0.659 25600 4608 1 11 . 1 1 68 68 LEU N N 68 124.151 124.151 124.142 0.009 25600 4609 1 11 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.928 -0.572 25600 4610 1 11 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.906 0.206 25600 4611 1 11 . 1 1 68 68 LEU CB C 68 42.915 42.915 43.342 -0.427 25600 4612 1 11 . 1 1 68 68 LEU H H 68 8.616 8.616 8.787 -0.171 25600 4613 1 11 . 1 1 69 69 ASN N N 69 115.821 115.821 118.426 -2.605 25600 4614 1 11 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.931 -0.287 25600 4615 1 11 . 1 1 69 69 ASN CA C 69 51.456 51.456 52.146 -0.690 25600 4616 1 11 . 1 1 69 69 ASN CB C 69 42.306 42.306 41.300 1.006 25600 4617 1 11 . 1 1 69 69 ASN H H 69 7.965 7.965 7.845 0.120 25600 4618 1 11 . 1 1 70 70 GLN N N 70 114.564 114.564 116.015 -1.451 25600 4619 1 11 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.723 -0.798 25600 4620 1 11 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.050 0.187 25600 4621 1 11 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.824 0.182 25600 4622 1 11 . 1 1 70 70 GLN H H 70 8.287 8.287 8.549 -0.262 25600 4623 1 11 . 1 1 71 71 GLY N N 71 108.006 108.006 108.889 -0.883 25600 4624 1 11 . 1 1 71 71 GLY CA C 71 43.686 43.686 44.364 -0.678 25600 4625 1 11 . 1 1 71 71 GLY H H 71 8.520 8.520 7.651 0.869 25600 4626 1 11 . 1 1 72 72 ASN N N 72 117.785 117.785 118.652 -0.867 25600 4627 1 11 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.145 0.328 25600 4628 1 11 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.377 -0.686 25600 4629 1 11 . 1 1 72 72 ASN CB C 72 39.896 39.896 40.628 -0.732 25600 4630 1 11 . 1 1 72 72 ASN H H 72 8.420 8.420 8.415 0.005 25600 4631 1 11 . 1 1 73 73 VAL N N 73 115.848 115.848 117.830 -1.982 25600 4632 1 11 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.566 -0.035 25600 4633 1 11 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.447 -0.471 25600 4634 1 11 . 1 1 73 73 VAL CB C 73 35.179 35.179 34.649 0.530 25600 4635 1 11 . 1 1 73 73 VAL H H 73 8.990 8.990 9.062 -0.072 25600 4636 1 11 . 1 1 74 74 LYS N N 74 123.195 123.195 124.369 -1.174 25600 4637 1 11 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.698 0.458 25600 4638 1 11 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.340 -0.459 25600 4639 1 11 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.504 0.093 25600 4640 1 11 . 1 1 74 74 LYS H H 74 8.715 8.715 8.611 0.104 25600 4641 1 11 . 1 1 75 75 VAL N N 75 129.522 129.522 128.154 1.368 25600 4642 1 11 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.868 -0.326 25600 4643 1 11 . 1 1 75 75 VAL CA C 75 60.816 60.816 60.855 -0.038 25600 4644 1 11 . 1 1 75 75 VAL CB C 75 32.483 32.483 32.139 0.344 25600 4645 1 11 . 1 1 75 75 VAL H H 75 8.975 8.975 8.310 0.665 25600 4646 1 11 . 1 1 76 76 THR N N 76 120.548 120.548 123.766 -3.218 25600 4647 1 11 . 1 1 76 76 THR HA H 76 5.066 5.066 4.895 0.171 25600 4648 1 11 . 1 1 76 76 THR CA C 76 59.783 59.783 61.167 -1.384 25600 4649 1 11 . 1 1 76 76 THR CB C 76 70.733 70.733 70.758 -0.025 25600 4650 1 11 . 1 1 76 76 THR H H 76 8.650 8.650 8.337 0.313 25600 4651 1 11 . 1 1 77 77 ALA N N 77 126.454 126.454 129.969 -3.515 25600 4652 1 11 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.469 -1.089 25600 4653 1 11 . 1 1 77 77 ALA CA C 77 48.430 48.430 49.918 -1.488 25600 4654 1 11 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.344 -1.800 25600 4655 1 11 . 1 1 77 77 ALA H H 77 8.674 8.674 8.997 -0.323 25600 4656 1 11 . 1 1 78 78 SER N N 78 113.568 113.568 117.023 -3.455 25600 4657 1 11 . 1 1 78 78 SER HA H 78 5.376 5.376 4.832 0.544 25600 4658 1 11 . 1 1 78 78 SER CA C 78 56.077 56.077 58.055 -1.978 25600 4659 1 11 . 1 1 78 78 SER CB C 78 65.730 65.730 66.299 -0.569 25600 4660 1 11 . 1 1 78 78 SER H H 78 8.117 8.117 8.198 -0.081 25600 4661 1 11 . 1 1 79 79 ILE N N 79 121.071 121.071 123.347 -2.276 25600 4662 1 11 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.430 -0.289 25600 4663 1 11 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.096 1.028 25600 4664 1 11 . 1 1 79 79 ILE CB C 79 38.809 38.809 41.120 -2.311 25600 4665 1 11 . 1 1 79 79 ILE H H 79 8.446 8.446 7.813 0.633 25600 4666 1 11 . 1 1 80 80 GLY N N 80 117.157 117.157 114.513 2.644 25600 4667 1 11 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.772 -0.766 25600 4668 1 11 . 1 1 80 80 GLY H H 80 8.899 8.899 8.697 0.202 25600 4669 1 11 . 1 1 81 81 GLY N N 81 110.716 110.716 110.789 -0.073 25600 4670 1 11 . 1 1 81 81 GLY CA C 81 44.378 44.378 45.023 -0.645 25600 4671 1 11 . 1 1 81 81 GLY H H 81 8.742 8.742 8.297 0.445 25600 4672 1 11 . 1 1 82 82 ILE N N 82 124.112 124.112 121.708 2.404 25600 4673 1 11 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.299 -0.099 25600 4674 1 11 . 1 1 82 82 ILE CA C 82 59.033 59.033 60.072 -1.039 25600 4675 1 11 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.057 -1.280 25600 4676 1 11 . 1 1 82 82 ILE H H 82 8.188 8.188 7.914 0.274 25600 4677 1 11 . 1 1 83 83 GLN N N 83 122.453 122.453 121.020 1.433 25600 4678 1 11 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.502 0.893 25600 4679 1 11 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.033 -1.013 25600 4680 1 11 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.662 -0.147 25600 4681 1 11 . 1 1 83 83 GLN H H 83 8.423 8.423 8.168 0.255 25600 4682 1 11 . 1 1 84 84 GLY N N 84 111.437 111.437 107.896 3.541 25600 4683 1 11 . 1 1 84 84 GLY CA C 84 43.698 43.698 44.153 -0.455 25600 4684 1 11 . 1 1 84 84 GLY H H 84 8.931 8.931 8.838 0.093 25600 4685 1 11 . 1 1 85 85 SER N N 85 113.877 113.877 116.348 -2.471 25600 4686 1 11 . 1 1 85 85 SER HA H 85 5.841 5.841 5.184 0.657 25600 4687 1 11 . 1 1 85 85 SER CA C 85 56.264 56.264 57.126 -0.862 25600 4688 1 11 . 1 1 85 85 SER CB C 85 66.946 66.946 65.597 1.349 25600 4689 1 11 . 1 1 85 85 SER H H 85 8.710 8.710 8.403 0.307 25600 4690 1 11 . 1 1 86 86 THR N N 86 115.389 115.389 115.580 -0.191 25600 4691 1 11 . 1 1 86 86 THR HA H 86 4.772 4.772 5.025 -0.253 25600 4692 1 11 . 1 1 86 86 THR CA C 86 60.313 60.313 61.200 -0.887 25600 4693 1 11 . 1 1 86 86 THR CB C 86 69.953 69.953 71.929 -1.976 25600 4694 1 11 . 1 1 86 86 THR H H 86 8.854 8.854 8.659 0.195 25600 4695 1 11 . 1 1 87 87 ASP N N 87 124.623 124.623 122.451 2.172 25600 4696 1 11 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.987 0.449 25600 4697 1 11 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.161 0.635 25600 4698 1 11 . 1 1 87 87 ASP CB C 87 42.010 42.010 43.220 -1.210 25600 4699 1 11 . 1 1 87 87 ASP H H 87 7.953 7.953 8.229 -0.276 25600 4700 1 11 . 1 1 88 88 PHE N N 88 123.577 123.577 124.398 -0.821 25600 4701 1 11 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.278 -0.347 25600 4702 1 11 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.569 0.399 25600 4703 1 11 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.641 -0.756 25600 4704 1 11 . 1 1 88 88 PHE H H 88 9.094 9.094 8.822 0.272 25600 4705 1 11 . 1 1 89 89 LYS N N 89 126.965 126.965 124.857 2.108 25600 4706 1 11 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.823 0.215 25600 4707 1 11 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.264 -1.375 25600 4708 1 11 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.207 -0.538 25600 4709 1 11 . 1 1 89 89 LYS H H 89 7.269 7.269 8.419 -1.150 25600 4710 1 11 . 1 1 90 90 VAL N N 90 126.148 126.148 124.905 1.243 25600 4711 1 11 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.491 -0.480 25600 4712 1 11 . 1 1 90 90 VAL CA C 90 59.547 59.547 59.532 0.015 25600 4713 1 11 . 1 1 90 90 VAL CB C 90 30.948 30.948 33.207 -2.259 25600 4714 1 11 . 1 1 90 90 VAL H H 90 9.086 9.086 8.683 0.403 25600 4715 1 11 . 1 1 91 91 THR N N 91 120.506 120.506 117.984 2.522 25600 4716 1 11 . 1 1 91 91 THR HA H 91 4.568 4.568 4.681 -0.113 25600 4717 1 11 . 1 1 91 91 THR CA C 91 59.348 59.348 59.633 -0.285 25600 4718 1 11 . 1 1 91 91 THR CB C 91 68.970 68.970 71.894 -2.924 25600 4719 1 11 . 1 1 91 91 THR H H 91 8.757 8.757 7.975 0.782 25600 4720 1 12 . 1 1 2 2 PRO HA H 2 4.277 4.277 4.580 -0.303 25600 4721 1 12 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.701 -1.480 25600 4722 1 12 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.294 -0.878 25600 4723 1 12 . 1 1 3 3 ALA N N 3 123.804 123.804 123.012 0.792 25600 4724 1 12 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.702 -0.496 25600 4725 1 12 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.325 0.070 25600 4726 1 12 . 1 1 3 3 ALA CB C 3 18.840 18.840 21.580 -2.740 25600 4727 1 12 . 1 1 3 3 ALA H H 3 8.647 8.647 8.206 0.441 25600 4728 1 12 . 1 1 4 4 ALA N N 4 124.059 124.059 123.286 0.773 25600 4729 1 12 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.799 -0.090 25600 4730 1 12 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.447 -0.425 25600 4731 1 12 . 1 1 4 4 ALA CB C 4 19.897 19.897 20.944 -1.047 25600 4732 1 12 . 1 1 4 4 ALA H H 4 8.239 8.239 8.389 -0.150 25600 4733 1 12 . 1 1 5 5 LEU N N 5 124.019 124.019 120.383 3.636 25600 4734 1 12 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.128 -0.756 25600 4735 1 12 . 1 1 5 5 LEU CA C 5 55.008 55.008 55.752 -0.744 25600 4736 1 12 . 1 1 5 5 LEU CB C 5 41.242 41.242 42.157 -0.916 25600 4737 1 12 . 1 1 5 5 LEU H H 5 8.560 8.560 8.524 0.036 25600 4738 1 12 . 1 1 6 6 VAL N N 6 123.356 123.356 119.239 4.117 25600 4739 1 12 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.283 -0.186 25600 4740 1 12 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.307 0.033 25600 4741 1 12 . 1 1 6 6 VAL CB C 6 32.948 32.948 34.082 -1.134 25600 4742 1 12 . 1 1 6 6 VAL H H 6 9.119 9.119 7.898 1.221 25600 4743 1 12 . 1 1 7 7 SER N N 7 112.134 112.134 112.511 -0.377 25600 4744 1 12 . 1 1 7 7 SER HA H 7 4.445 4.445 4.736 -0.291 25600 4745 1 12 . 1 1 7 7 SER CA C 7 56.349 56.349 57.347 -0.999 25600 4746 1 12 . 1 1 7 7 SER CB C 7 64.361 64.361 65.982 -1.621 25600 4747 1 12 . 1 1 7 7 SER H H 7 7.680 7.680 7.659 0.021 25600 4748 1 12 . 1 1 8 8 ILE N N 8 118.674 118.674 117.743 0.931 25600 4749 1 12 . 1 1 8 8 ILE HA H 8 4.673 4.673 5.012 -0.339 25600 4750 1 12 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.172 -0.026 25600 4751 1 12 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.182 -0.508 25600 4752 1 12 . 1 1 8 8 ILE H H 8 8.354 8.354 8.167 0.187 25600 4753 1 12 . 1 1 9 9 SER N N 9 121.318 121.318 120.811 0.507 25600 4754 1 12 . 1 1 9 9 SER HA H 9 4.863 4.863 4.856 0.007 25600 4755 1 12 . 1 1 9 9 SER CA C 9 55.381 55.381 57.463 -2.082 25600 4756 1 12 . 1 1 9 9 SER CB C 9 64.243 64.243 63.302 0.941 25600 4757 1 12 . 1 1 9 9 SER H H 9 9.028 9.028 8.838 0.190 25600 4758 1 12 . 1 1 10 10 VAL N N 10 127.509 127.509 121.994 5.515 25600 4759 1 12 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.802 0.248 25600 4760 1 12 . 1 1 10 10 VAL CA C 10 60.912 60.912 59.908 1.004 25600 4761 1 12 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.776 -0.389 25600 4762 1 12 . 1 1 10 10 VAL H H 10 8.911 8.911 8.109 0.802 25600 4763 1 12 . 1 1 11 11 SER N N 11 121.861 121.861 121.890 -0.029 25600 4764 1 12 . 1 1 11 11 SER CB C 11 64.373 64.373 63.721 0.652 25600 4765 1 12 . 1 1 11 11 SER H H 11 9.205 9.205 8.743 0.462 25600 4766 1 12 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.387 0.317 25600 4767 1 12 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.925 -2.026 25600 4768 1 12 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.151 1.938 25600 4769 1 12 . 1 1 13 13 THR N N 13 116.138 116.138 118.989 -2.851 25600 4770 1 12 . 1 1 13 13 THR HA H 13 4.770 4.770 4.512 0.258 25600 4771 1 12 . 1 1 13 13 THR CA C 13 60.153 60.153 61.701 -1.548 25600 4772 1 12 . 1 1 13 13 THR CB C 13 69.426 69.426 69.981 -0.555 25600 4773 1 12 . 1 1 13 13 THR H H 13 8.679 8.679 8.421 0.258 25600 4774 1 12 . 1 1 14 14 ASN N N 14 124.457 124.457 125.747 -1.290 25600 4775 1 12 . 1 1 14 14 ASN HA H 14 4.695 4.695 5.168 -0.473 25600 4776 1 12 . 1 1 14 14 ASN CA C 14 53.128 53.128 51.690 1.438 25600 4777 1 12 . 1 1 14 14 ASN CB C 14 36.593 36.593 38.104 -1.511 25600 4778 1 12 . 1 1 14 14 ASN H H 14 8.710 8.710 8.796 -0.086 25600 4779 1 12 . 1 1 15 15 SER N N 15 113.673 113.673 117.508 -3.835 25600 4780 1 12 . 1 1 15 15 SER HA H 15 4.648 4.648 4.908 -0.260 25600 4781 1 12 . 1 1 15 15 SER CA C 15 55.644 55.644 57.455 -1.811 25600 4782 1 12 . 1 1 15 15 SER CB C 15 63.953 63.953 65.290 -1.337 25600 4783 1 12 . 1 1 15 15 SER H H 15 9.127 9.127 8.145 0.982 25600 4784 1 12 . 1 1 16 16 THR N N 16 113.579 113.579 113.619 -0.040 25600 4785 1 12 . 1 1 16 16 THR HA H 16 4.976 4.976 4.982 -0.006 25600 4786 1 12 . 1 1 16 16 THR CA C 16 58.445 58.445 60.552 -2.107 25600 4787 1 12 . 1 1 16 16 THR CB C 16 70.534 70.534 70.246 0.288 25600 4788 1 12 . 1 1 16 16 THR H H 16 7.962 7.962 8.353 -0.391 25600 4789 1 12 . 1 1 17 17 VAL N N 17 121.479 121.479 116.839 4.640 25600 4790 1 12 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.579 -0.259 25600 4791 1 12 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.894 0.043 25600 4792 1 12 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.485 -0.081 25600 4793 1 12 . 1 1 17 17 VAL H H 17 7.969 7.969 8.571 -0.602 25600 4794 1 12 . 1 1 18 18 ALA N N 18 126.014 126.014 125.544 0.470 25600 4795 1 12 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.355 -0.180 25600 4796 1 12 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.719 -0.756 25600 4797 1 12 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.657 -0.735 25600 4798 1 12 . 1 1 18 18 ALA H H 18 7.756 7.756 8.294 -0.538 25600 4799 1 12 . 1 1 19 19 LYS N N 19 119.741 119.741 122.750 -3.009 25600 4800 1 12 . 1 1 19 19 LYS HA H 19 3.487 3.487 4.021 -0.534 25600 4801 1 12 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.378 0.394 25600 4802 1 12 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.902 -1.300 25600 4803 1 12 . 1 1 19 19 LYS H H 19 7.893 7.893 8.183 -0.290 25600 4804 1 12 . 1 1 20 20 GLY N N 20 116.709 116.709 112.303 4.406 25600 4805 1 12 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.595 -1.832 25600 4806 1 12 . 1 1 20 20 GLY H H 20 8.615 8.615 8.632 -0.017 25600 4807 1 12 . 1 1 21 21 LEU N N 21 123.004 123.004 123.895 -0.891 25600 4808 1 12 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.615 -0.027 25600 4809 1 12 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.342 -0.977 25600 4810 1 12 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.251 -5.289 25600 4811 1 12 . 1 1 21 21 LEU H H 21 8.013 8.013 7.791 0.222 25600 4812 1 12 . 1 1 22 22 GLN N N 22 117.504 117.504 116.382 1.122 25600 4813 1 12 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.165 -0.037 25600 4814 1 12 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.030 -0.361 25600 4815 1 12 . 1 1 22 22 GLN CB C 22 30.914 30.914 32.097 -1.183 25600 4816 1 12 . 1 1 22 22 GLN H H 22 8.223 8.223 8.109 0.114 25600 4817 1 12 . 1 1 23 23 GLU N N 23 118.125 118.125 120.828 -2.703 25600 4818 1 12 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.475 0.088 25600 4819 1 12 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.217 -1.350 25600 4820 1 12 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.146 -0.272 25600 4821 1 12 . 1 1 23 23 GLU H H 23 8.188 8.188 8.498 -0.310 25600 4822 1 12 . 1 1 24 24 ASN N N 24 125.841 125.841 118.209 7.632 25600 4823 1 12 . 1 1 24 24 ASN HA H 24 4.778 4.778 5.005 -0.227 25600 4824 1 12 . 1 1 24 24 ASN CA C 24 52.511 52.511 52.013 0.498 25600 4825 1 12 . 1 1 24 24 ASN CB C 24 39.746 39.746 40.937 -1.191 25600 4826 1 12 . 1 1 24 24 ASN H H 24 9.391 9.391 7.936 1.455 25600 4827 1 12 . 1 1 25 25 PHE N N 25 122.823 122.823 118.421 4.402 25600 4828 1 12 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.784 -0.133 25600 4829 1 12 . 1 1 25 25 PHE CA C 25 57.123 57.123 57.046 0.077 25600 4830 1 12 . 1 1 25 25 PHE CB C 25 39.059 39.059 42.448 -3.389 25600 4831 1 12 . 1 1 25 25 PHE H H 25 8.062 8.062 7.571 0.491 25600 4832 1 12 . 1 1 26 26 LYS N N 26 119.114 119.114 119.259 -0.145 25600 4833 1 12 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.811 0.433 25600 4834 1 12 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.615 -2.639 25600 4835 1 12 . 1 1 26 26 LYS CB C 26 34.661 34.661 36.887 -2.226 25600 4836 1 12 . 1 1 26 26 LYS H H 26 9.255 9.255 8.770 0.485 25600 4837 1 12 . 1 1 27 27 ALA N N 27 125.586 125.586 124.840 0.746 25600 4838 1 12 . 1 1 27 27 ALA HA H 27 5.262 5.262 4.900 0.362 25600 4839 1 12 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.058 -2.241 25600 4840 1 12 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.146 -0.986 25600 4841 1 12 . 1 1 27 27 ALA H H 27 9.120 9.120 8.859 0.261 25600 4842 1 12 . 1 1 28 28 THR N N 28 120.627 120.627 120.116 0.511 25600 4843 1 12 . 1 1 28 28 THR HA H 28 4.837 4.837 4.708 0.129 25600 4844 1 12 . 1 1 28 28 THR CA C 28 60.566 60.566 61.376 -0.810 25600 4845 1 12 . 1 1 28 28 THR CB C 28 69.478 69.478 70.230 -0.752 25600 4846 1 12 . 1 1 28 28 THR H H 28 9.062 9.062 8.304 0.758 25600 4847 1 12 . 1 1 29 29 GLY N N 29 115.788 115.788 114.487 1.301 25600 4848 1 12 . 1 1 29 29 GLY CA C 29 44.316 44.316 44.123 0.193 25600 4849 1 12 . 1 1 29 29 GLY H H 29 9.663 9.663 9.145 0.518 25600 4850 1 12 . 1 1 30 30 ILE N N 30 123.085 123.085 123.181 -0.096 25600 4851 1 12 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.665 0.113 25600 4852 1 12 . 1 1 30 30 ILE CA C 30 59.388 59.388 58.916 0.472 25600 4853 1 12 . 1 1 30 30 ILE CB C 30 36.883 36.883 40.701 -3.818 25600 4854 1 12 . 1 1 30 30 ILE H H 30 7.914 7.914 8.715 -0.801 25600 4855 1 12 . 1 1 31 31 PHE N N 31 125.209 125.209 121.906 3.303 25600 4856 1 12 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.082 0.288 25600 4857 1 12 . 1 1 31 31 PHE CA C 31 56.487 56.487 56.254 0.233 25600 4858 1 12 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.507 -1.354 25600 4859 1 12 . 1 1 31 31 PHE H H 31 8.316 8.316 8.687 -0.371 25600 4860 1 12 . 1 1 32 32 THR N N 32 113.843 113.843 117.582 -3.739 25600 4861 1 12 . 1 1 32 32 THR HA H 32 4.404 4.404 4.117 0.287 25600 4862 1 12 . 1 1 32 32 THR CA C 32 64.157 64.157 65.925 -1.768 25600 4863 1 12 . 1 1 32 32 THR CB C 32 68.540 68.540 68.553 -0.013 25600 4864 1 12 . 1 1 32 32 THR H H 32 9.335 9.335 9.026 0.309 25600 4865 1 12 . 1 1 33 33 ASP N N 33 118.800 118.800 120.785 -1.985 25600 4866 1 12 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.629 -0.008 25600 4867 1 12 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.674 -1.711 25600 4868 1 12 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.686 -2.192 25600 4869 1 12 . 1 1 33 33 ASP H H 33 7.689 7.689 8.259 -0.570 25600 4870 1 12 . 1 1 34 34 ASN N N 34 112.995 112.995 113.874 -0.879 25600 4871 1 12 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.362 -0.014 25600 4872 1 12 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.356 -0.010 25600 4873 1 12 . 1 1 34 34 ASN CB C 34 36.490 36.490 37.051 -0.561 25600 4874 1 12 . 1 1 34 34 ASN H H 34 8.370 8.370 7.928 0.442 25600 4875 1 12 . 1 1 35 35 SER N N 35 115.545 115.545 115.005 0.540 25600 4876 1 12 . 1 1 35 35 SER HA H 35 4.413 4.413 4.616 -0.203 25600 4877 1 12 . 1 1 35 35 SER CA C 35 57.882 57.882 57.627 0.256 25600 4878 1 12 . 1 1 35 35 SER CB C 35 63.770 63.770 64.323 -0.553 25600 4879 1 12 . 1 1 35 35 SER H H 35 7.990 7.990 7.947 0.043 25600 4880 1 12 . 1 1 36 36 ASN N N 36 116.053 116.053 124.257 -8.204 25600 4881 1 12 . 1 1 36 36 ASN HA H 36 2.890 2.890 5.154 -2.264 25600 4882 1 12 . 1 1 36 36 ASN CA C 36 50.674 50.674 53.204 -2.530 25600 4883 1 12 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.062 1.737 25600 4884 1 12 . 1 1 36 36 ASN H H 36 8.518 8.518 8.594 -0.076 25600 4885 1 12 . 1 1 37 37 SER N N 37 113.191 113.191 117.356 -4.165 25600 4886 1 12 . 1 1 37 37 SER HA H 37 4.715 4.715 4.723 -0.008 25600 4887 1 12 . 1 1 37 37 SER CA C 37 56.801 56.801 57.601 -0.800 25600 4888 1 12 . 1 1 37 37 SER CB C 37 64.872 64.872 67.135 -2.263 25600 4889 1 12 . 1 1 37 37 SER H H 37 8.667 8.667 9.169 -0.502 25600 4890 1 12 . 1 1 38 38 ASP N N 38 123.962 123.962 123.409 0.553 25600 4891 1 12 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.661 0.326 25600 4892 1 12 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.990 0.211 25600 4893 1 12 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.108 -1.179 25600 4894 1 12 . 1 1 38 38 ASP H H 38 8.848 8.848 8.584 0.264 25600 4895 1 12 . 1 1 39 39 ILE N N 39 121.216 121.216 120.310 0.906 25600 4896 1 12 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.756 1.115 25600 4897 1 12 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.305 -2.598 25600 4898 1 12 . 1 1 39 39 ILE CB C 39 37.086 37.086 35.769 1.317 25600 4899 1 12 . 1 1 39 39 ILE H H 39 8.815 8.815 8.884 -0.069 25600 4900 1 12 . 1 1 40 40 THR N N 40 122.867 122.867 116.873 5.994 25600 4901 1 12 . 1 1 40 40 THR HA H 40 4.288 4.288 4.011 0.277 25600 4902 1 12 . 1 1 40 40 THR CB C 40 68.527 68.527 69.020 -0.493 25600 4903 1 12 . 1 1 40 40 THR H H 40 8.679 8.679 8.107 0.572 25600 4904 1 12 . 1 1 41 41 ASP N N 41 114.081 114.081 118.663 -4.582 25600 4905 1 12 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.871 -1.173 25600 4906 1 12 . 1 1 41 41 ASP CA C 41 53.478 53.478 53.684 -0.207 25600 4907 1 12 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.687 -1.969 25600 4908 1 12 . 1 1 41 41 ASP H H 41 8.539 8.539 8.387 0.152 25600 4909 1 12 . 1 1 42 42 GLN N N 42 117.087 117.087 117.662 -0.575 25600 4910 1 12 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.062 0.089 25600 4911 1 12 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.116 -0.580 25600 4912 1 12 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.480 2.736 25600 4913 1 12 . 1 1 42 42 GLN H H 42 7.718 7.718 7.679 0.039 25600 4914 1 12 . 1 1 43 43 VAL N N 43 109.916 109.916 123.766 -13.850 25600 4915 1 12 . 1 1 43 43 VAL HA H 43 4.089 4.089 4.000 0.089 25600 4916 1 12 . 1 1 43 43 VAL CA C 43 58.840 58.840 62.183 -3.343 25600 4917 1 12 . 1 1 43 43 VAL CB C 43 31.273 31.273 31.670 -0.397 25600 4918 1 12 . 1 1 43 43 VAL H H 43 6.902 6.902 8.257 -1.355 25600 4919 1 12 . 1 1 44 44 THR N N 44 116.272 116.272 125.641 -9.369 25600 4920 1 12 . 1 1 44 44 THR HA H 44 4.315 4.315 4.514 -0.199 25600 4921 1 12 . 1 1 44 44 THR CA C 44 61.651 61.651 62.026 -0.375 25600 4922 1 12 . 1 1 44 44 THR CB C 44 68.890 68.890 68.644 0.246 25600 4923 1 12 . 1 1 44 44 THR H H 44 8.787 8.787 7.703 1.084 25600 4924 1 12 . 1 1 45 45 TRP N N 45 132.098 132.098 127.106 4.992 25600 4925 1 12 . 1 1 45 45 TRP HA H 45 5.245 5.245 4.882 0.363 25600 4926 1 12 . 1 1 45 45 TRP CA C 45 55.387 55.387 56.334 -0.947 25600 4927 1 12 . 1 1 45 45 TRP CB C 45 30.077 30.077 31.439 -1.363 25600 4928 1 12 . 1 1 45 45 TRP H H 45 10.351 10.351 8.678 1.673 25600 4929 1 12 . 1 1 46 46 ASP N N 46 121.897 121.897 120.818 1.079 25600 4930 1 12 . 1 1 46 46 ASP HA H 46 4.857 4.857 4.982 -0.125 25600 4931 1 12 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.535 -0.738 25600 4932 1 12 . 1 1 46 46 ASP CB C 46 45.075 45.075 44.350 0.725 25600 4933 1 12 . 1 1 46 46 ASP H H 46 9.471 9.471 8.839 0.632 25600 4934 1 12 . 1 1 47 47 SER N N 47 113.805 113.805 118.405 -4.600 25600 4935 1 12 . 1 1 47 47 SER HA H 47 5.043 5.043 5.102 -0.059 25600 4936 1 12 . 1 1 47 47 SER CA C 47 53.059 53.059 56.956 -3.897 25600 4937 1 12 . 1 1 47 47 SER CB C 47 64.880 64.880 64.978 -0.098 25600 4938 1 12 . 1 1 47 47 SER H H 47 8.502 8.502 8.584 -0.082 25600 4939 1 12 . 1 1 48 48 SER N N 48 119.614 119.614 119.596 0.018 25600 4940 1 12 . 1 1 48 48 SER HA H 48 4.264 4.264 4.303 -0.039 25600 4941 1 12 . 1 1 48 48 SER CA C 48 59.404 59.404 59.309 0.095 25600 4942 1 12 . 1 1 48 48 SER CB C 48 62.026 62.026 63.550 -1.524 25600 4943 1 12 . 1 1 48 48 SER H H 48 8.517 8.517 8.574 -0.057 25600 4944 1 12 . 1 1 49 49 ASN N N 49 118.260 118.260 116.233 2.027 25600 4945 1 12 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.613 0.285 25600 4946 1 12 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.042 -1.201 25600 4947 1 12 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.941 -1.221 25600 4948 1 12 . 1 1 49 49 ASN H H 49 7.816 7.816 8.132 -0.316 25600 4949 1 12 . 1 1 50 50 THR N N 50 119.288 119.288 113.824 5.464 25600 4950 1 12 . 1 1 50 50 THR HA H 50 4.541 4.541 4.562 -0.021 25600 4951 1 12 . 1 1 50 50 THR CA C 50 62.137 62.137 62.238 -0.101 25600 4952 1 12 . 1 1 50 50 THR CB C 50 67.100 67.100 69.998 -2.898 25600 4953 1 12 . 1 1 50 50 THR H H 50 9.049 9.049 8.311 0.738 25600 4954 1 12 . 1 1 51 51 ASP N N 51 118.825 118.825 120.828 -2.003 25600 4955 1 12 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.728 -0.142 25600 4956 1 12 . 1 1 51 51 ASP CA C 51 54.690 54.690 55.171 -0.481 25600 4957 1 12 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.784 -3.126 25600 4958 1 12 . 1 1 51 51 ASP H H 51 8.251 8.251 8.131 0.120 25600 4959 1 12 . 1 1 52 52 ILE N N 52 118.411 118.411 119.984 -1.573 25600 4960 1 12 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.285 -0.360 25600 4961 1 12 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.399 0.282 25600 4962 1 12 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.840 -0.944 25600 4963 1 12 . 1 1 52 52 ILE H H 52 7.169 7.169 7.810 -0.641 25600 4964 1 12 . 1 1 53 53 LEU N N 53 120.126 120.126 125.191 -5.065 25600 4965 1 12 . 1 1 53 53 LEU HA H 53 5.021 5.021 5.158 -0.137 25600 4966 1 12 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.289 -0.008 25600 4967 1 12 . 1 1 53 53 LEU CB C 53 46.405 46.405 45.250 1.155 25600 4968 1 12 . 1 1 53 53 LEU H H 53 7.876 7.876 8.194 -0.319 25600 4969 1 12 . 1 1 54 54 SER N N 54 122.252 122.252 116.718 5.534 25600 4970 1 12 . 1 1 54 54 SER HA H 54 4.959 4.959 4.865 0.094 25600 4971 1 12 . 1 1 54 54 SER CA C 54 54.724 54.724 57.238 -2.514 25600 4972 1 12 . 1 1 54 54 SER CB C 54 64.417 64.417 65.442 -1.025 25600 4973 1 12 . 1 1 54 54 SER H H 54 8.650 8.650 8.643 0.007 25600 4974 1 12 . 1 1 55 55 ILE N N 55 123.973 123.973 124.521 -0.548 25600 4975 1 12 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.501 0.400 25600 4976 1 12 . 1 1 55 55 ILE CA C 55 58.868 58.868 59.558 -0.690 25600 4977 1 12 . 1 1 55 55 ILE CB C 55 41.418 41.418 38.442 2.976 25600 4978 1 12 . 1 1 55 55 ILE H H 55 9.081 9.081 8.577 0.504 25600 4979 1 12 . 1 1 56 56 SER N N 56 119.540 119.540 122.635 -3.095 25600 4980 1 12 . 1 1 56 56 SER HA H 56 4.387 4.387 4.783 -0.396 25600 4981 1 12 . 1 1 56 56 SER CA C 56 56.626 56.626 57.433 -0.807 25600 4982 1 12 . 1 1 56 56 SER CB C 56 63.106 63.106 65.523 -2.417 25600 4983 1 12 . 1 1 56 56 SER H H 56 7.905 7.905 8.389 -0.484 25600 4984 1 12 . 1 1 57 57 ASN N N 57 124.207 124.207 123.114 1.093 25600 4985 1 12 . 1 1 57 57 ASN HA H 57 5.019 5.019 4.926 0.093 25600 4986 1 12 . 1 1 57 57 ASN CA C 57 52.469 52.469 52.015 0.454 25600 4987 1 12 . 1 1 57 57 ASN CB C 57 40.090 40.090 38.764 1.325 25600 4988 1 12 . 1 1 57 57 ASN H H 57 8.945 8.945 8.763 0.182 25600 4989 1 12 . 1 1 58 58 ALA N N 58 124.301 124.301 126.341 -2.040 25600 4990 1 12 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.183 -0.050 25600 4991 1 12 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.583 -1.296 25600 4992 1 12 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.314 -0.960 25600 4993 1 12 . 1 1 58 58 ALA H H 58 8.150 8.150 8.239 -0.089 25600 4994 1 12 . 1 1 59 59 SER N N 59 113.299 113.299 116.050 -2.751 25600 4995 1 12 . 1 1 59 59 SER HA H 59 4.698 4.698 4.183 0.515 25600 4996 1 12 . 1 1 59 59 SER CA C 59 60.003 60.003 60.632 -0.629 25600 4997 1 12 . 1 1 59 59 SER CB C 59 62.574 62.574 63.545 -0.971 25600 4998 1 12 . 1 1 59 59 SER H H 59 8.377 8.377 8.592 -0.215 25600 4999 1 12 . 1 1 60 60 ASP N N 60 116.275 116.275 119.814 -3.539 25600 5000 1 12 . 1 1 60 60 ASP HA H 60 4.661 4.661 4.538 0.123 25600 5001 1 12 . 1 1 60 60 ASP CA C 60 52.769 52.769 56.129 -3.360 25600 5002 1 12 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.104 -1.392 25600 5003 1 12 . 1 1 60 60 ASP H H 60 8.311 8.311 8.133 0.178 25600 5004 1 12 . 1 1 61 61 SER N N 61 112.650 112.650 110.261 2.389 25600 5005 1 12 . 1 1 61 61 SER HA H 61 4.630 4.630 4.409 0.221 25600 5006 1 12 . 1 1 61 61 SER CA C 61 56.180 56.180 58.540 -2.360 25600 5007 1 12 . 1 1 61 61 SER CB C 61 61.843 61.843 63.658 -1.815 25600 5008 1 12 . 1 1 61 61 SER H H 61 7.588 7.588 8.040 -0.452 25600 5009 1 12 . 1 1 62 62 HIS N N 62 119.790 119.790 122.108 -2.318 25600 5010 1 12 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.736 -0.689 25600 5011 1 12 . 1 1 62 62 HIS CA C 62 56.919 56.919 57.427 -0.508 25600 5012 1 12 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.501 -2.977 25600 5013 1 12 . 1 1 62 62 HIS H H 62 8.029 8.029 8.140 -0.111 25600 5014 1 12 . 1 1 63 63 GLY N N 63 113.301 113.301 108.164 5.137 25600 5015 1 12 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.540 -0.887 25600 5016 1 12 . 1 1 63 63 GLY H H 63 8.733 8.733 8.040 0.693 25600 5017 1 12 . 1 1 64 64 LEU N N 64 120.664 120.664 119.657 1.007 25600 5018 1 12 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.190 -0.804 25600 5019 1 12 . 1 1 64 64 LEU CA C 64 54.893 54.893 54.196 0.697 25600 5020 1 12 . 1 1 64 64 LEU CB C 64 41.463 41.463 47.065 -5.602 25600 5021 1 12 . 1 1 64 64 LEU H H 64 7.679 7.679 7.780 -0.101 25600 5022 1 12 . 1 1 65 65 ALA N N 65 108.346 108.346 121.641 -13.295 25600 5023 1 12 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.817 0.585 25600 5024 1 12 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.675 -1.409 25600 5025 1 12 . 1 1 65 65 ALA CB C 65 21.555 21.555 21.401 0.155 25600 5026 1 12 . 1 1 65 65 ALA H H 65 9.874 9.874 8.559 1.315 25600 5027 1 12 . 1 1 66 66 SER N N 66 115.951 115.951 119.543 -3.592 25600 5028 1 12 . 1 1 66 66 SER HA H 66 4.909 4.909 5.224 -0.315 25600 5029 1 12 . 1 1 66 66 SER CA C 66 56.645 56.645 56.761 -0.116 25600 5030 1 12 . 1 1 66 66 SER CB C 66 63.823 63.823 64.397 -0.574 25600 5031 1 12 . 1 1 66 66 SER H H 66 8.938 8.938 8.759 0.179 25600 5032 1 12 . 1 1 67 67 THR N N 67 113.596 113.596 121.462 -7.866 25600 5033 1 12 . 1 1 67 67 THR HA H 67 4.649 4.649 4.769 -0.120 25600 5034 1 12 . 1 1 67 67 THR CA C 67 59.216 59.216 61.827 -2.611 25600 5035 1 12 . 1 1 67 67 THR CB C 67 69.006 69.006 71.872 -2.866 25600 5036 1 12 . 1 1 67 67 THR H H 67 8.258 8.258 8.559 -0.301 25600 5037 1 12 . 1 1 68 68 LEU N N 68 124.151 124.151 123.779 0.372 25600 5038 1 12 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.742 -0.386 25600 5039 1 12 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.764 0.348 25600 5040 1 12 . 1 1 68 68 LEU CB C 68 42.915 42.915 41.486 1.429 25600 5041 1 12 . 1 1 68 68 LEU H H 68 8.616 8.616 8.305 0.311 25600 5042 1 12 . 1 1 69 69 ASN N N 69 115.821 115.821 116.059 -0.238 25600 5043 1 12 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.848 -0.204 25600 5044 1 12 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.926 -0.470 25600 5045 1 12 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.514 1.792 25600 5046 1 12 . 1 1 69 69 ASN H H 69 7.965 7.965 7.786 0.179 25600 5047 1 12 . 1 1 70 70 GLN N N 70 114.564 114.564 118.738 -4.174 25600 5048 1 12 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.683 -0.758 25600 5049 1 12 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.376 -0.139 25600 5050 1 12 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.508 0.498 25600 5051 1 12 . 1 1 70 70 GLN H H 70 8.287 8.287 8.669 -0.382 25600 5052 1 12 . 1 1 71 71 GLY N N 71 108.006 108.006 108.401 -0.395 25600 5053 1 12 . 1 1 71 71 GLY CA C 71 43.686 43.686 44.838 -1.152 25600 5054 1 12 . 1 1 71 71 GLY H H 71 8.520 8.520 8.138 0.382 25600 5055 1 12 . 1 1 72 72 ASN N N 72 117.785 117.785 118.184 -0.399 25600 5056 1 12 . 1 1 72 72 ASN HA H 72 5.473 5.473 4.911 0.562 25600 5057 1 12 . 1 1 72 72 ASN CA C 72 51.691 51.691 51.963 -0.272 25600 5058 1 12 . 1 1 72 72 ASN CB C 72 39.896 39.896 40.830 -0.934 25600 5059 1 12 . 1 1 72 72 ASN H H 72 8.420 8.420 8.453 -0.033 25600 5060 1 12 . 1 1 73 73 VAL N N 73 115.848 115.848 118.257 -2.409 25600 5061 1 12 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.191 0.340 25600 5062 1 12 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.739 -0.763 25600 5063 1 12 . 1 1 73 73 VAL CB C 73 35.179 35.179 34.732 0.447 25600 5064 1 12 . 1 1 73 73 VAL H H 73 8.990 8.990 8.042 0.948 25600 5065 1 12 . 1 1 74 74 LYS N N 74 123.195 123.195 122.957 0.238 25600 5066 1 12 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.545 0.611 25600 5067 1 12 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.867 -0.986 25600 5068 1 12 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.593 0.004 25600 5069 1 12 . 1 1 74 74 LYS H H 74 8.715 8.715 8.432 0.283 25600 5070 1 12 . 1 1 75 75 VAL N N 75 129.522 129.522 129.427 0.095 25600 5071 1 12 . 1 1 75 75 VAL HA H 75 4.542 4.542 5.304 -0.762 25600 5072 1 12 . 1 1 75 75 VAL CA C 75 60.816 60.816 60.825 -0.009 25600 5073 1 12 . 1 1 75 75 VAL CB C 75 32.483 32.483 33.443 -0.960 25600 5074 1 12 . 1 1 75 75 VAL H H 75 8.975 8.975 9.152 -0.177 25600 5075 1 12 . 1 1 76 76 THR N N 76 120.548 120.548 121.108 -0.560 25600 5076 1 12 . 1 1 76 76 THR HA H 76 5.066 5.066 4.717 0.349 25600 5077 1 12 . 1 1 76 76 THR CA C 76 59.783 59.783 60.572 -0.789 25600 5078 1 12 . 1 1 76 76 THR CB C 76 70.733 70.733 71.611 -0.878 25600 5079 1 12 . 1 1 76 76 THR H H 76 8.650 8.650 9.230 -0.580 25600 5080 1 12 . 1 1 77 77 ALA N N 77 126.454 126.454 125.200 1.254 25600 5081 1 12 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.171 -0.791 25600 5082 1 12 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.374 -1.944 25600 5083 1 12 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.036 -1.492 25600 5084 1 12 . 1 1 77 77 ALA H H 77 8.674 8.674 7.971 0.703 25600 5085 1 12 . 1 1 78 78 SER N N 78 113.568 113.568 114.353 -0.785 25600 5086 1 12 . 1 1 78 78 SER HA H 78 5.376 5.376 4.702 0.674 25600 5087 1 12 . 1 1 78 78 SER CA C 78 56.077 56.077 58.052 -1.975 25600 5088 1 12 . 1 1 78 78 SER CB C 78 65.730 65.730 66.297 -0.567 25600 5089 1 12 . 1 1 78 78 SER H H 78 8.117 8.117 7.941 0.176 25600 5090 1 12 . 1 1 79 79 ILE N N 79 121.071 121.071 124.263 -3.192 25600 5091 1 12 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.368 -0.227 25600 5092 1 12 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.132 0.992 25600 5093 1 12 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.803 -1.994 25600 5094 1 12 . 1 1 79 79 ILE H H 79 8.446 8.446 7.619 0.827 25600 5095 1 12 . 1 1 80 80 GLY N N 80 117.157 117.157 115.054 2.103 25600 5096 1 12 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.544 -0.538 25600 5097 1 12 . 1 1 80 80 GLY H H 80 8.899 8.899 8.642 0.257 25600 5098 1 12 . 1 1 81 81 GLY N N 81 110.716 110.716 111.052 -0.336 25600 5099 1 12 . 1 1 81 81 GLY CA C 81 44.378 44.378 45.203 -0.825 25600 5100 1 12 . 1 1 81 81 GLY H H 81 8.742 8.742 7.998 0.744 25600 5101 1 12 . 1 1 82 82 ILE N N 82 124.112 124.112 122.153 1.959 25600 5102 1 12 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.238 -0.038 25600 5103 1 12 . 1 1 82 82 ILE CA C 82 59.033 59.033 60.085 -1.052 25600 5104 1 12 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.755 -1.978 25600 5105 1 12 . 1 1 82 82 ILE H H 82 8.188 8.188 7.878 0.310 25600 5106 1 12 . 1 1 83 83 GLN N N 83 122.453 122.453 122.405 0.048 25600 5107 1 12 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.903 0.492 25600 5108 1 12 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.135 -1.115 25600 5109 1 12 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.755 -0.240 25600 5110 1 12 . 1 1 83 83 GLN H H 83 8.423 8.423 8.146 0.277 25600 5111 1 12 . 1 1 84 84 GLY N N 84 111.437 111.437 107.423 4.014 25600 5112 1 12 . 1 1 84 84 GLY CA C 84 43.698 43.698 43.837 -0.139 25600 5113 1 12 . 1 1 84 84 GLY H H 84 8.931 8.931 8.057 0.874 25600 5114 1 12 . 1 1 85 85 SER N N 85 113.877 113.877 114.759 -0.882 25600 5115 1 12 . 1 1 85 85 SER HA H 85 5.841 5.841 4.880 0.961 25600 5116 1 12 . 1 1 85 85 SER CA C 85 56.264 56.264 57.328 -1.064 25600 5117 1 12 . 1 1 85 85 SER CB C 85 66.946 66.946 66.458 0.488 25600 5118 1 12 . 1 1 85 85 SER H H 85 8.710 8.710 8.199 0.511 25600 5119 1 12 . 1 1 86 86 THR N N 86 115.389 115.389 115.724 -0.335 25600 5120 1 12 . 1 1 86 86 THR HA H 86 4.772 4.772 4.538 0.234 25600 5121 1 12 . 1 1 86 86 THR CA C 86 60.313 60.313 61.776 -1.464 25600 5122 1 12 . 1 1 86 86 THR CB C 86 69.953 69.953 71.592 -1.639 25600 5123 1 12 . 1 1 86 86 THR H H 86 8.854 8.854 9.116 -0.262 25600 5124 1 12 . 1 1 87 87 ASP N N 87 124.623 124.623 125.357 -0.734 25600 5125 1 12 . 1 1 87 87 ASP HA H 87 5.436 5.436 5.018 0.418 25600 5126 1 12 . 1 1 87 87 ASP CA C 87 53.796 53.796 52.923 0.873 25600 5127 1 12 . 1 1 87 87 ASP CB C 87 42.010 42.010 43.498 -1.488 25600 5128 1 12 . 1 1 87 87 ASP H H 87 7.953 7.953 8.535 -0.582 25600 5129 1 12 . 1 1 88 88 PHE N N 88 123.577 123.577 121.822 1.755 25600 5130 1 12 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.685 -0.754 25600 5131 1 12 . 1 1 88 88 PHE CA C 88 56.968 56.968 55.545 1.423 25600 5132 1 12 . 1 1 88 88 PHE CB C 88 42.884 42.884 42.946 -0.062 25600 5133 1 12 . 1 1 88 88 PHE H H 88 9.094 9.094 7.954 1.140 25600 5134 1 12 . 1 1 89 89 LYS N N 89 126.965 126.965 124.144 2.821 25600 5135 1 12 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.729 0.309 25600 5136 1 12 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.348 -1.459 25600 5137 1 12 . 1 1 89 89 LYS CB C 89 34.669 34.669 36.025 -1.356 25600 5138 1 12 . 1 1 89 89 LYS H H 89 7.269 7.269 8.228 -0.959 25600 5139 1 12 . 1 1 90 90 VAL N N 90 126.148 126.148 129.261 -3.113 25600 5140 1 12 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.341 -0.330 25600 5141 1 12 . 1 1 90 90 VAL CA C 90 59.547 59.547 60.844 -1.297 25600 5142 1 12 . 1 1 90 90 VAL CB C 90 30.948 30.948 33.543 -2.595 25600 5143 1 12 . 1 1 90 90 VAL H H 90 9.086 9.086 8.879 0.207 25600 5144 1 12 . 1 1 91 91 THR N N 91 120.506 120.506 117.486 3.020 25600 5145 1 12 . 1 1 91 91 THR HA H 91 4.568 4.568 4.711 -0.143 25600 5146 1 12 . 1 1 91 91 THR CA C 91 59.348 59.348 59.411 -0.063 25600 5147 1 12 . 1 1 91 91 THR CB C 91 68.970 68.970 72.010 -3.040 25600 5148 1 12 . 1 1 91 91 THR H H 91 8.757 8.757 7.969 0.788 25600 5149 1 13 . 1 1 2 2 PRO HA H 2 4.277 4.277 4.497 -0.220 25600 5150 1 13 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.689 -1.468 25600 5151 1 13 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.763 -1.347 25600 5152 1 13 . 1 1 3 3 ALA N N 3 123.804 123.804 124.133 -0.329 25600 5153 1 13 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.466 -0.260 25600 5154 1 13 . 1 1 3 3 ALA CA C 3 51.395 51.395 50.845 0.550 25600 5155 1 13 . 1 1 3 3 ALA CB C 3 18.840 18.840 19.227 -0.387 25600 5156 1 13 . 1 1 3 3 ALA H H 3 8.647 8.647 8.190 0.457 25600 5157 1 13 . 1 1 4 4 ALA N N 4 124.059 124.059 126.550 -2.491 25600 5158 1 13 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.726 -0.017 25600 5159 1 13 . 1 1 4 4 ALA CA C 4 50.022 50.022 49.998 0.024 25600 5160 1 13 . 1 1 4 4 ALA CB C 4 19.897 19.897 21.098 -1.201 25600 5161 1 13 . 1 1 4 4 ALA H H 4 8.239 8.239 8.302 -0.063 25600 5162 1 13 . 1 1 5 5 LEU N N 5 124.019 124.019 121.238 2.781 25600 5163 1 13 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.660 -1.288 25600 5164 1 13 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.650 -1.642 25600 5165 1 13 . 1 1 5 5 LEU CB C 5 41.242 41.242 42.114 -0.872 25600 5166 1 13 . 1 1 5 5 LEU H H 5 8.560 8.560 8.683 -0.123 25600 5167 1 13 . 1 1 6 6 VAL N N 6 123.356 123.356 120.474 2.882 25600 5168 1 13 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.317 -0.220 25600 5169 1 13 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.202 0.138 25600 5170 1 13 . 1 1 6 6 VAL CB C 6 32.948 32.948 34.229 -1.281 25600 5171 1 13 . 1 1 6 6 VAL H H 6 9.119 9.119 8.080 1.039 25600 5172 1 13 . 1 1 7 7 SER N N 7 112.134 112.134 112.394 -0.260 25600 5173 1 13 . 1 1 7 7 SER HA H 7 4.445 4.445 4.758 -0.313 25600 5174 1 13 . 1 1 7 7 SER CA C 7 56.349 56.349 57.107 -0.758 25600 5175 1 13 . 1 1 7 7 SER CB C 7 64.361 64.361 65.731 -1.370 25600 5176 1 13 . 1 1 7 7 SER H H 7 7.680 7.680 7.582 0.098 25600 5177 1 13 . 1 1 8 8 ILE N N 8 118.674 118.674 116.291 2.383 25600 5178 1 13 . 1 1 8 8 ILE HA H 8 4.673 4.673 5.009 -0.336 25600 5179 1 13 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.842 -0.696 25600 5180 1 13 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.463 -0.789 25600 5181 1 13 . 1 1 8 8 ILE H H 8 8.354 8.354 8.125 0.229 25600 5182 1 13 . 1 1 9 9 SER N N 9 121.318 121.318 119.789 1.529 25600 5183 1 13 . 1 1 9 9 SER HA H 9 4.863 4.863 4.927 -0.064 25600 5184 1 13 . 1 1 9 9 SER CA C 9 55.381 55.381 57.069 -1.688 25600 5185 1 13 . 1 1 9 9 SER CB C 9 64.243 64.243 63.659 0.584 25600 5186 1 13 . 1 1 9 9 SER H H 9 9.028 9.028 8.719 0.309 25600 5187 1 13 . 1 1 10 10 VAL N N 10 127.509 127.509 121.831 5.678 25600 5188 1 13 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.639 0.411 25600 5189 1 13 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.687 0.225 25600 5190 1 13 . 1 1 10 10 VAL CB C 10 33.387 33.387 34.140 -0.753 25600 5191 1 13 . 1 1 10 10 VAL H H 10 8.911 8.911 8.340 0.571 25600 5192 1 13 . 1 1 11 11 SER N N 11 121.861 121.861 122.336 -0.475 25600 5193 1 13 . 1 1 11 11 SER CB C 11 64.373 64.373 63.139 1.234 25600 5194 1 13 . 1 1 11 11 SER H H 11 9.205 9.205 8.673 0.532 25600 5195 1 13 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.536 0.168 25600 5196 1 13 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.779 -1.880 25600 5197 1 13 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.104 1.985 25600 5198 1 13 . 1 1 13 13 THR N N 13 116.138 116.138 116.080 0.058 25600 5199 1 13 . 1 1 13 13 THR HA H 13 4.770 4.770 4.561 0.209 25600 5200 1 13 . 1 1 13 13 THR CA C 13 60.153 60.153 60.894 -0.741 25600 5201 1 13 . 1 1 13 13 THR CB C 13 69.426 69.426 69.645 -0.219 25600 5202 1 13 . 1 1 13 13 THR H H 13 8.679 8.679 8.528 0.151 25600 5203 1 13 . 1 1 14 14 ASN N N 14 124.457 124.457 124.040 0.417 25600 5204 1 13 . 1 1 14 14 ASN HA H 14 4.695 4.695 5.123 -0.428 25600 5205 1 13 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.336 0.792 25600 5206 1 13 . 1 1 14 14 ASN CB C 14 36.593 36.593 38.169 -1.575 25600 5207 1 13 . 1 1 14 14 ASN H H 14 8.710 8.710 8.817 -0.107 25600 5208 1 13 . 1 1 15 15 SER N N 15 113.673 113.673 118.097 -4.424 25600 5209 1 13 . 1 1 15 15 SER HA H 15 4.648 4.648 4.893 -0.245 25600 5210 1 13 . 1 1 15 15 SER CA C 15 55.644 55.644 57.093 -1.449 25600 5211 1 13 . 1 1 15 15 SER CB C 15 63.953 63.953 65.549 -1.596 25600 5212 1 13 . 1 1 15 15 SER H H 15 9.127 9.127 8.056 1.071 25600 5213 1 13 . 1 1 16 16 THR N N 16 113.579 113.579 113.346 0.233 25600 5214 1 13 . 1 1 16 16 THR HA H 16 4.976 4.976 5.039 -0.063 25600 5215 1 13 . 1 1 16 16 THR CA C 16 58.445 58.445 60.973 -2.528 25600 5216 1 13 . 1 1 16 16 THR CB C 16 70.534 70.534 70.437 0.097 25600 5217 1 13 . 1 1 16 16 THR H H 16 7.962 7.962 8.323 -0.361 25600 5218 1 13 . 1 1 17 17 VAL N N 17 121.479 121.479 122.940 -1.461 25600 5219 1 13 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.420 -0.100 25600 5220 1 13 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.750 0.187 25600 5221 1 13 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.800 -0.396 25600 5222 1 13 . 1 1 17 17 VAL H H 17 7.969 7.969 8.452 -0.483 25600 5223 1 13 . 1 1 18 18 ALA N N 18 126.014 126.014 126.657 -0.643 25600 5224 1 13 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.316 -0.141 25600 5225 1 13 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.483 -0.520 25600 5226 1 13 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.595 -0.673 25600 5227 1 13 . 1 1 18 18 ALA H H 18 7.756 7.756 8.222 -0.466 25600 5228 1 13 . 1 1 19 19 LYS N N 19 119.741 119.741 121.167 -1.426 25600 5229 1 13 . 1 1 19 19 LYS HA H 19 3.487 3.487 4.013 -0.526 25600 5230 1 13 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.398 0.374 25600 5231 1 13 . 1 1 19 19 LYS CB C 19 31.602 31.602 33.013 -1.411 25600 5232 1 13 . 1 1 19 19 LYS H H 19 7.893 7.893 8.411 -0.518 25600 5233 1 13 . 1 1 20 20 GLY N N 20 116.709 116.709 112.920 3.789 25600 5234 1 13 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.366 -1.603 25600 5235 1 13 . 1 1 20 20 GLY H H 20 8.615 8.615 8.758 -0.143 25600 5236 1 13 . 1 1 21 21 LEU N N 21 123.004 123.004 122.938 0.066 25600 5237 1 13 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.524 0.064 25600 5238 1 13 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.514 -1.149 25600 5239 1 13 . 1 1 21 21 LEU CB C 21 40.962 40.962 45.592 -4.630 25600 5240 1 13 . 1 1 21 21 LEU H H 21 8.013 8.013 7.713 0.300 25600 5241 1 13 . 1 1 22 22 GLN N N 22 117.504 117.504 116.517 0.987 25600 5242 1 13 . 1 1 22 22 GLN HA H 22 5.128 5.128 4.861 0.267 25600 5243 1 13 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.224 -0.555 25600 5244 1 13 . 1 1 22 22 GLN CB C 22 30.914 30.914 32.393 -1.479 25600 5245 1 13 . 1 1 22 22 GLN H H 22 8.223 8.223 8.095 0.128 25600 5246 1 13 . 1 1 23 23 GLU N N 23 118.125 118.125 119.993 -1.868 25600 5247 1 13 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.391 0.172 25600 5248 1 13 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.167 -2.300 25600 5249 1 13 . 1 1 23 23 GLU CB C 23 32.874 32.874 31.970 0.904 25600 5250 1 13 . 1 1 23 23 GLU H H 23 8.188 8.188 8.039 0.149 25600 5251 1 13 . 1 1 24 24 ASN N N 24 125.841 125.841 123.941 1.900 25600 5252 1 13 . 1 1 24 24 ASN HA H 24 4.778 4.778 4.758 0.020 25600 5253 1 13 . 1 1 24 24 ASN CA C 24 52.511 52.511 52.356 0.155 25600 5254 1 13 . 1 1 24 24 ASN CB C 24 39.746 39.746 40.112 -0.366 25600 5255 1 13 . 1 1 24 24 ASN H H 24 9.391 9.391 8.501 0.890 25600 5256 1 13 . 1 1 25 25 PHE N N 25 122.823 122.823 120.329 2.494 25600 5257 1 13 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.851 -0.200 25600 5258 1 13 . 1 1 25 25 PHE CA C 25 57.123 57.123 55.726 1.397 25600 5259 1 13 . 1 1 25 25 PHE CB C 25 39.059 39.059 40.196 -1.137 25600 5260 1 13 . 1 1 25 25 PHE H H 25 8.062 8.062 8.061 0.001 25600 5261 1 13 . 1 1 26 26 LYS N N 26 119.114 119.114 118.381 0.733 25600 5262 1 13 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.792 0.452 25600 5263 1 13 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.648 -2.672 25600 5264 1 13 . 1 1 26 26 LYS CB C 26 34.661 34.661 36.696 -2.035 25600 5265 1 13 . 1 1 26 26 LYS H H 26 9.255 9.255 8.460 0.795 25600 5266 1 13 . 1 1 27 27 ALA N N 27 125.586 125.586 123.733 1.853 25600 5267 1 13 . 1 1 27 27 ALA HA H 27 5.262 5.262 4.845 0.417 25600 5268 1 13 . 1 1 27 27 ALA CA C 27 48.817 48.817 50.838 -2.021 25600 5269 1 13 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.029 -0.869 25600 5270 1 13 . 1 1 27 27 ALA H H 27 9.120 9.120 8.802 0.318 25600 5271 1 13 . 1 1 28 28 THR N N 28 120.627 120.627 119.859 0.768 25600 5272 1 13 . 1 1 28 28 THR HA H 28 4.837 4.837 4.680 0.157 25600 5273 1 13 . 1 1 28 28 THR CA C 28 60.566 60.566 61.787 -1.221 25600 5274 1 13 . 1 1 28 28 THR CB C 28 69.478 69.478 70.456 -0.978 25600 5275 1 13 . 1 1 28 28 THR H H 28 9.062 9.062 8.315 0.747 25600 5276 1 13 . 1 1 29 29 GLY N N 29 115.788 115.788 114.351 1.437 25600 5277 1 13 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.736 0.580 25600 5278 1 13 . 1 1 29 29 GLY H H 29 9.663 9.663 9.153 0.510 25600 5279 1 13 . 1 1 30 30 ILE N N 30 123.085 123.085 123.596 -0.511 25600 5280 1 13 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.270 0.508 25600 5281 1 13 . 1 1 30 30 ILE CA C 30 59.388 59.388 58.311 1.077 25600 5282 1 13 . 1 1 30 30 ILE CB C 30 36.883 36.883 40.736 -3.853 25600 5283 1 13 . 1 1 30 30 ILE H H 30 7.914 7.914 8.789 -0.875 25600 5284 1 13 . 1 1 31 31 PHE N N 31 125.209 125.209 121.038 4.171 25600 5285 1 13 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.228 0.142 25600 5286 1 13 . 1 1 31 31 PHE CA C 31 56.487 56.487 55.776 0.711 25600 5287 1 13 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.672 -1.519 25600 5288 1 13 . 1 1 31 31 PHE H H 31 8.316 8.316 7.843 0.473 25600 5289 1 13 . 1 1 32 32 THR N N 32 113.843 113.843 117.582 -3.739 25600 5290 1 13 . 1 1 32 32 THR HA H 32 4.404 4.404 4.178 0.226 25600 5291 1 13 . 1 1 32 32 THR CA C 32 64.157 64.157 65.832 -1.675 25600 5292 1 13 . 1 1 32 32 THR CB C 32 68.540 68.540 68.832 -0.292 25600 5293 1 13 . 1 1 32 32 THR H H 32 9.335 9.335 9.091 0.244 25600 5294 1 13 . 1 1 33 33 ASP N N 33 118.800 118.800 120.521 -1.721 25600 5295 1 13 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.638 -0.017 25600 5296 1 13 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.496 -1.533 25600 5297 1 13 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.394 -1.900 25600 5298 1 13 . 1 1 33 33 ASP H H 33 7.689 7.689 8.253 -0.564 25600 5299 1 13 . 1 1 34 34 ASN N N 34 112.995 112.995 113.492 -0.497 25600 5300 1 13 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.373 -0.025 25600 5301 1 13 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.353 -0.007 25600 5302 1 13 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.922 -0.432 25600 5303 1 13 . 1 1 34 34 ASN H H 34 8.370 8.370 7.855 0.515 25600 5304 1 13 . 1 1 35 35 SER N N 35 115.545 115.545 114.446 1.099 25600 5305 1 13 . 1 1 35 35 SER HA H 35 4.413 4.413 4.647 -0.234 25600 5306 1 13 . 1 1 35 35 SER CA C 35 57.882 57.882 57.180 0.702 25600 5307 1 13 . 1 1 35 35 SER CB C 35 63.770 63.770 64.259 -0.489 25600 5308 1 13 . 1 1 35 35 SER H H 35 7.990 7.990 7.972 0.018 25600 5309 1 13 . 1 1 36 36 ASN N N 36 116.053 116.053 125.276 -9.223 25600 5310 1 13 . 1 1 36 36 ASN HA H 36 2.890 2.890 4.997 -2.107 25600 5311 1 13 . 1 1 36 36 ASN CA C 36 50.674 50.674 53.258 -2.584 25600 5312 1 13 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.022 1.777 25600 5313 1 13 . 1 1 36 36 ASN H H 36 8.518 8.518 8.724 -0.206 25600 5314 1 13 . 1 1 37 37 SER N N 37 113.191 113.191 116.310 -3.119 25600 5315 1 13 . 1 1 37 37 SER HA H 37 4.715 4.715 4.782 -0.067 25600 5316 1 13 . 1 1 37 37 SER CA C 37 56.801 56.801 56.904 -0.103 25600 5317 1 13 . 1 1 37 37 SER CB C 37 64.872 64.872 66.184 -1.312 25600 5318 1 13 . 1 1 37 37 SER H H 37 8.667 8.667 8.805 -0.138 25600 5319 1 13 . 1 1 38 38 ASP N N 38 123.962 123.962 121.901 2.061 25600 5320 1 13 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.756 0.231 25600 5321 1 13 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.425 0.777 25600 5322 1 13 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.163 -1.234 25600 5323 1 13 . 1 1 38 38 ASP H H 38 8.848 8.848 8.544 0.304 25600 5324 1 13 . 1 1 39 39 ILE N N 39 121.216 121.216 120.478 0.738 25600 5325 1 13 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.769 1.102 25600 5326 1 13 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.188 -2.481 25600 5327 1 13 . 1 1 39 39 ILE CB C 39 37.086 37.086 35.956 1.130 25600 5328 1 13 . 1 1 39 39 ILE H H 39 8.815 8.815 8.504 0.311 25600 5329 1 13 . 1 1 40 40 THR N N 40 122.867 122.867 115.403 7.464 25600 5330 1 13 . 1 1 40 40 THR HA H 40 4.288 4.288 4.062 0.226 25600 5331 1 13 . 1 1 40 40 THR CB C 40 68.527 68.527 68.811 -0.284 25600 5332 1 13 . 1 1 40 40 THR H H 40 8.679 8.679 8.376 0.303 25600 5333 1 13 . 1 1 41 41 ASP N N 41 114.081 114.081 118.667 -4.586 25600 5334 1 13 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.785 -1.087 25600 5335 1 13 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.300 -0.822 25600 5336 1 13 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.797 -2.079 25600 5337 1 13 . 1 1 41 41 ASP H H 41 8.539 8.539 8.353 0.186 25600 5338 1 13 . 1 1 42 42 GLN N N 42 117.087 117.087 116.949 0.138 25600 5339 1 13 . 1 1 42 42 GLN HA H 42 4.151 4.151 3.935 0.216 25600 5340 1 13 . 1 1 42 42 GLN CA C 42 55.536 55.536 55.848 -0.312 25600 5341 1 13 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.357 2.859 25600 5342 1 13 . 1 1 42 42 GLN H H 42 7.718 7.718 7.455 0.263 25600 5343 1 13 . 1 1 43 43 VAL N N 43 109.916 109.916 122.841 -12.925 25600 5344 1 13 . 1 1 43 43 VAL HA H 43 4.089 4.089 4.101 -0.012 25600 5345 1 13 . 1 1 43 43 VAL CA C 43 58.840 58.840 61.398 -2.558 25600 5346 1 13 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.837 -1.564 25600 5347 1 13 . 1 1 43 43 VAL H H 43 6.902 6.902 8.058 -1.156 25600 5348 1 13 . 1 1 44 44 THR N N 44 116.272 116.272 125.741 -9.469 25600 5349 1 13 . 1 1 44 44 THR HA H 44 4.315 4.315 4.056 0.259 25600 5350 1 13 . 1 1 44 44 THR CA C 44 61.651 61.651 61.816 -0.165 25600 5351 1 13 . 1 1 44 44 THR CB C 44 68.890 68.890 69.342 -0.452 25600 5352 1 13 . 1 1 44 44 THR H H 44 8.787 8.787 7.754 1.033 25600 5353 1 13 . 1 1 45 45 TRP N N 45 132.098 132.098 125.516 6.582 25600 5354 1 13 . 1 1 45 45 TRP HA H 45 5.245 5.245 4.800 0.445 25600 5355 1 13 . 1 1 45 45 TRP CA C 45 55.387 55.387 55.451 -0.064 25600 5356 1 13 . 1 1 45 45 TRP CB C 45 30.077 30.077 31.242 -1.165 25600 5357 1 13 . 1 1 45 45 TRP H H 45 10.351 10.351 8.165 2.186 25600 5358 1 13 . 1 1 46 46 ASP N N 46 121.897 121.897 121.870 0.027 25600 5359 1 13 . 1 1 46 46 ASP HA H 46 4.857 4.857 5.037 -0.180 25600 5360 1 13 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.468 -0.670 25600 5361 1 13 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.601 -0.526 25600 5362 1 13 . 1 1 46 46 ASP H H 46 9.471 9.471 8.464 1.007 25600 5363 1 13 . 1 1 47 47 SER N N 47 113.805 113.805 117.515 -3.710 25600 5364 1 13 . 1 1 47 47 SER HA H 47 5.043 5.043 5.414 -0.371 25600 5365 1 13 . 1 1 47 47 SER CA C 47 53.059 53.059 57.123 -4.064 25600 5366 1 13 . 1 1 47 47 SER CB C 47 64.880 64.880 65.927 -1.047 25600 5367 1 13 . 1 1 47 47 SER H H 47 8.502 8.502 8.475 0.027 25600 5368 1 13 . 1 1 48 48 SER N N 48 119.614 119.614 118.319 1.295 25600 5369 1 13 . 1 1 48 48 SER HA H 48 4.264 4.264 4.251 0.013 25600 5370 1 13 . 1 1 48 48 SER CA C 48 59.404 59.404 60.196 -0.792 25600 5371 1 13 . 1 1 48 48 SER CB C 48 62.026 62.026 63.417 -1.391 25600 5372 1 13 . 1 1 48 48 SER H H 48 8.517 8.517 8.792 -0.275 25600 5373 1 13 . 1 1 49 49 ASN N N 49 118.260 118.260 116.200 2.060 25600 5374 1 13 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.548 0.350 25600 5375 1 13 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.284 -1.443 25600 5376 1 13 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.600 -0.880 25600 5377 1 13 . 1 1 49 49 ASN H H 49 7.816 7.816 8.319 -0.503 25600 5378 1 13 . 1 1 50 50 THR N N 50 119.288 119.288 117.611 1.677 25600 5379 1 13 . 1 1 50 50 THR HA H 50 4.541 4.541 4.482 0.059 25600 5380 1 13 . 1 1 50 50 THR CA C 50 62.137 62.137 63.350 -1.213 25600 5381 1 13 . 1 1 50 50 THR CB C 50 67.100 67.100 70.287 -3.187 25600 5382 1 13 . 1 1 50 50 THR H H 50 9.049 9.049 8.401 0.648 25600 5383 1 13 . 1 1 51 51 ASP N N 51 118.825 118.825 120.680 -1.855 25600 5384 1 13 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.789 -0.203 25600 5385 1 13 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.716 -0.026 25600 5386 1 13 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.977 -3.320 25600 5387 1 13 . 1 1 51 51 ASP H H 51 8.251 8.251 8.443 -0.192 25600 5388 1 13 . 1 1 52 52 ILE N N 52 118.411 118.411 121.220 -2.809 25600 5389 1 13 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.392 -0.467 25600 5390 1 13 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.333 0.348 25600 5391 1 13 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.413 -0.517 25600 5392 1 13 . 1 1 52 52 ILE H H 52 7.169 7.169 8.390 -1.221 25600 5393 1 13 . 1 1 53 53 LEU N N 53 120.126 120.126 123.420 -3.294 25600 5394 1 13 . 1 1 53 53 LEU HA H 53 5.021 5.021 5.257 -0.236 25600 5395 1 13 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.755 -0.474 25600 5396 1 13 . 1 1 53 53 LEU CB C 53 46.405 46.405 46.035 0.370 25600 5397 1 13 . 1 1 53 53 LEU H H 53 7.876 7.876 8.078 -0.202 25600 5398 1 13 . 1 1 54 54 SER N N 54 122.252 122.252 116.462 5.790 25600 5399 1 13 . 1 1 54 54 SER HA H 54 4.959 4.959 4.919 0.040 25600 5400 1 13 . 1 1 54 54 SER CA C 54 54.724 54.724 57.411 -2.687 25600 5401 1 13 . 1 1 54 54 SER CB C 54 64.417 64.417 66.344 -1.927 25600 5402 1 13 . 1 1 54 54 SER H H 54 8.650 8.650 8.794 -0.144 25600 5403 1 13 . 1 1 55 55 ILE N N 55 123.973 123.973 123.377 0.596 25600 5404 1 13 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.847 0.054 25600 5405 1 13 . 1 1 55 55 ILE CA C 55 58.868 58.868 59.972 -1.104 25600 5406 1 13 . 1 1 55 55 ILE CB C 55 41.418 41.418 40.486 0.932 25600 5407 1 13 . 1 1 55 55 ILE H H 55 9.081 9.081 8.583 0.498 25600 5408 1 13 . 1 1 56 56 SER N N 56 119.540 119.540 122.229 -2.689 25600 5409 1 13 . 1 1 56 56 SER HA H 56 4.387 4.387 4.644 -0.257 25600 5410 1 13 . 1 1 56 56 SER CA C 56 56.626 56.626 57.679 -1.053 25600 5411 1 13 . 1 1 56 56 SER CB C 56 63.106 63.106 64.292 -1.186 25600 5412 1 13 . 1 1 56 56 SER H H 56 7.905 7.905 8.257 -0.352 25600 5413 1 13 . 1 1 57 57 ASN N N 57 124.207 124.207 122.295 1.912 25600 5414 1 13 . 1 1 57 57 ASN HA H 57 5.019 5.019 5.436 -0.417 25600 5415 1 13 . 1 1 57 57 ASN CA C 57 52.469 52.469 52.560 -0.091 25600 5416 1 13 . 1 1 57 57 ASN CB C 57 40.090 40.090 38.621 1.469 25600 5417 1 13 . 1 1 57 57 ASN H H 57 8.945 8.945 8.703 0.242 25600 5418 1 13 . 1 1 58 58 ALA N N 58 124.301 124.301 125.745 -1.444 25600 5419 1 13 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.882 -0.749 25600 5420 1 13 . 1 1 58 58 ALA CA C 58 51.287 51.287 50.708 0.579 25600 5421 1 13 . 1 1 58 58 ALA CB C 58 18.354 18.354 20.447 -2.093 25600 5422 1 13 . 1 1 58 58 ALA H H 58 8.150 8.150 8.210 -0.060 25600 5423 1 13 . 1 1 59 59 SER N N 59 113.299 113.299 113.755 -0.456 25600 5424 1 13 . 1 1 59 59 SER HA H 59 4.698 4.698 4.209 0.489 25600 5425 1 13 . 1 1 59 59 SER CA C 59 60.003 60.003 60.807 -0.804 25600 5426 1 13 . 1 1 59 59 SER CB C 59 62.574 62.574 63.016 -0.441 25600 5427 1 13 . 1 1 59 59 SER H H 59 8.377 8.377 8.570 -0.193 25600 5428 1 13 . 1 1 60 60 ASP N N 60 116.275 116.275 121.588 -5.313 25600 5429 1 13 . 1 1 60 60 ASP HA H 60 4.661 4.661 4.536 0.125 25600 5430 1 13 . 1 1 60 60 ASP CA C 60 52.769 52.769 54.986 -2.217 25600 5431 1 13 . 1 1 60 60 ASP CB C 60 39.712 39.712 40.630 -0.918 25600 5432 1 13 . 1 1 60 60 ASP H H 60 8.311 8.311 8.133 0.178 25600 5433 1 13 . 1 1 61 61 SER N N 61 112.650 112.650 113.286 -0.636 25600 5434 1 13 . 1 1 61 61 SER HA H 61 4.630 4.630 4.236 0.394 25600 5435 1 13 . 1 1 61 61 SER CA C 61 56.180 56.180 60.145 -3.965 25600 5436 1 13 . 1 1 61 61 SER CB C 61 61.843 61.843 62.037 -0.194 25600 5437 1 13 . 1 1 61 61 SER H H 61 7.588 7.588 8.288 -0.700 25600 5438 1 13 . 1 1 62 62 HIS N N 62 119.790 119.790 117.764 2.026 25600 5439 1 13 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.724 -0.677 25600 5440 1 13 . 1 1 62 62 HIS CA C 62 56.919 56.919 54.806 2.113 25600 5441 1 13 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.468 -2.944 25600 5442 1 13 . 1 1 62 62 HIS H H 62 8.029 8.029 7.844 0.185 25600 5443 1 13 . 1 1 63 63 GLY N N 63 113.301 113.301 108.299 5.002 25600 5444 1 13 . 1 1 63 63 GLY CA C 63 43.653 43.653 43.373 0.280 25600 5445 1 13 . 1 1 63 63 GLY H H 63 8.733 8.733 8.212 0.521 25600 5446 1 13 . 1 1 64 64 LEU N N 64 120.664 120.664 120.127 0.537 25600 5447 1 13 . 1 1 64 64 LEU HA H 64 4.386 4.386 4.621 -0.235 25600 5448 1 13 . 1 1 64 64 LEU CA C 64 54.893 54.893 53.392 1.501 25600 5449 1 13 . 1 1 64 64 LEU CB C 64 41.463 41.463 45.168 -3.705 25600 5450 1 13 . 1 1 64 64 LEU H H 64 7.679 7.679 7.135 0.544 25600 5451 1 13 . 1 1 65 65 ALA N N 65 108.346 108.346 122.630 -14.284 25600 5452 1 13 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.915 0.487 25600 5453 1 13 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.351 -1.084 25600 5454 1 13 . 1 1 65 65 ALA CB C 65 21.555 21.555 20.586 0.969 25600 5455 1 13 . 1 1 65 65 ALA H H 65 9.874 9.874 8.020 1.854 25600 5456 1 13 . 1 1 66 66 SER N N 66 115.951 115.951 119.721 -3.770 25600 5457 1 13 . 1 1 66 66 SER HA H 66 4.909 4.909 5.336 -0.427 25600 5458 1 13 . 1 1 66 66 SER CA C 66 56.645 56.645 56.496 0.149 25600 5459 1 13 . 1 1 66 66 SER CB C 66 63.823 63.823 65.029 -1.206 25600 5460 1 13 . 1 1 66 66 SER H H 66 8.938 8.938 8.742 0.196 25600 5461 1 13 . 1 1 67 67 THR N N 67 113.596 113.596 115.191 -1.595 25600 5462 1 13 . 1 1 67 67 THR HA H 67 4.649 4.649 5.028 -0.379 25600 5463 1 13 . 1 1 67 67 THR CA C 67 59.216 59.216 60.902 -1.686 25600 5464 1 13 . 1 1 67 67 THR CB C 67 69.006 69.006 70.950 -1.944 25600 5465 1 13 . 1 1 67 67 THR H H 67 8.258 8.258 8.509 -0.251 25600 5466 1 13 . 1 1 68 68 LEU N N 68 124.151 124.151 117.546 6.605 25600 5467 1 13 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.837 -0.481 25600 5468 1 13 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.536 0.576 25600 5469 1 13 . 1 1 68 68 LEU CB C 68 42.915 42.915 42.140 0.775 25600 5470 1 13 . 1 1 68 68 LEU H H 68 8.616 8.616 8.159 0.457 25600 5471 1 13 . 1 1 69 69 ASN N N 69 115.821 115.821 118.011 -2.190 25600 5472 1 13 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.885 -0.241 25600 5473 1 13 . 1 1 69 69 ASN CA C 69 51.456 51.456 52.763 -1.307 25600 5474 1 13 . 1 1 69 69 ASN CB C 69 42.306 42.306 42.776 -0.470 25600 5475 1 13 . 1 1 69 69 ASN H H 69 7.965 7.965 7.747 0.218 25600 5476 1 13 . 1 1 70 70 GLN N N 70 114.564 114.564 119.222 -4.658 25600 5477 1 13 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.936 -1.011 25600 5478 1 13 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.350 -0.113 25600 5479 1 13 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.864 0.142 25600 5480 1 13 . 1 1 70 70 GLN H H 70 8.287 8.287 8.640 -0.353 25600 5481 1 13 . 1 1 71 71 GLY N N 71 108.006 108.006 109.107 -1.101 25600 5482 1 13 . 1 1 71 71 GLY CA C 71 43.686 43.686 43.982 -0.296 25600 5483 1 13 . 1 1 71 71 GLY H H 71 8.520 8.520 7.704 0.816 25600 5484 1 13 . 1 1 72 72 ASN N N 72 117.785 117.785 117.750 0.035 25600 5485 1 13 . 1 1 72 72 ASN HA H 72 5.473 5.473 4.898 0.575 25600 5486 1 13 . 1 1 72 72 ASN CA C 72 51.691 51.691 51.612 0.079 25600 5487 1 13 . 1 1 72 72 ASN CB C 72 39.896 39.896 40.267 -0.371 25600 5488 1 13 . 1 1 72 72 ASN H H 72 8.420 8.420 8.238 0.182 25600 5489 1 13 . 1 1 73 73 VAL N N 73 115.848 115.848 121.563 -5.715 25600 5490 1 13 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.213 0.318 25600 5491 1 13 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.696 -0.721 25600 5492 1 13 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.908 -0.729 25600 5493 1 13 . 1 1 73 73 VAL H H 73 8.990 8.990 7.883 1.107 25600 5494 1 13 . 1 1 74 74 LYS N N 74 123.195 123.195 122.581 0.614 25600 5495 1 13 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.790 0.366 25600 5496 1 13 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.563 -0.682 25600 5497 1 13 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.995 -0.398 25600 5498 1 13 . 1 1 74 74 LYS H H 74 8.715 8.715 8.643 0.072 25600 5499 1 13 . 1 1 75 75 VAL N N 75 129.522 129.522 127.087 2.435 25600 5500 1 13 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.939 -0.397 25600 5501 1 13 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.437 -0.621 25600 5502 1 13 . 1 1 75 75 VAL CB C 75 32.483 32.483 33.128 -0.645 25600 5503 1 13 . 1 1 75 75 VAL H H 75 8.975 8.975 9.260 -0.285 25600 5504 1 13 . 1 1 76 76 THR N N 76 120.548 120.548 123.260 -2.712 25600 5505 1 13 . 1 1 76 76 THR HA H 76 5.066 5.066 4.716 0.350 25600 5506 1 13 . 1 1 76 76 THR CA C 76 59.783 59.783 60.544 -0.760 25600 5507 1 13 . 1 1 76 76 THR CB C 76 70.733 70.733 70.918 -0.185 25600 5508 1 13 . 1 1 76 76 THR H H 76 8.650 8.650 8.910 -0.260 25600 5509 1 13 . 1 1 77 77 ALA N N 77 126.454 126.454 127.686 -1.232 25600 5510 1 13 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.435 -1.055 25600 5511 1 13 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.255 -1.825 25600 5512 1 13 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.823 -2.279 25600 5513 1 13 . 1 1 77 77 ALA H H 77 8.674 8.674 8.142 0.532 25600 5514 1 13 . 1 1 78 78 SER N N 78 113.568 113.568 115.558 -1.990 25600 5515 1 13 . 1 1 78 78 SER HA H 78 5.376 5.376 4.851 0.525 25600 5516 1 13 . 1 1 78 78 SER CA C 78 56.077 56.077 57.704 -1.627 25600 5517 1 13 . 1 1 78 78 SER CB C 78 65.730 65.730 65.698 0.032 25600 5518 1 13 . 1 1 78 78 SER H H 78 8.117 8.117 8.129 -0.012 25600 5519 1 13 . 1 1 79 79 ILE N N 79 121.071 121.071 124.675 -3.604 25600 5520 1 13 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.422 -0.281 25600 5521 1 13 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.145 0.979 25600 5522 1 13 . 1 1 79 79 ILE CB C 79 38.809 38.809 41.157 -2.348 25600 5523 1 13 . 1 1 79 79 ILE H H 79 8.446 8.446 7.763 0.683 25600 5524 1 13 . 1 1 80 80 GLY N N 80 117.157 117.157 113.969 3.188 25600 5525 1 13 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.702 -0.696 25600 5526 1 13 . 1 1 80 80 GLY H H 80 8.899 8.899 8.672 0.227 25600 5527 1 13 . 1 1 81 81 GLY N N 81 110.716 110.716 110.339 0.377 25600 5528 1 13 . 1 1 81 81 GLY CA C 81 44.378 44.378 45.012 -0.634 25600 5529 1 13 . 1 1 81 81 GLY H H 81 8.742 8.742 8.293 0.449 25600 5530 1 13 . 1 1 82 82 ILE N N 82 124.112 124.112 122.079 2.033 25600 5531 1 13 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.249 -0.049 25600 5532 1 13 . 1 1 82 82 ILE CA C 82 59.033 59.033 60.295 -1.262 25600 5533 1 13 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.636 -1.859 25600 5534 1 13 . 1 1 82 82 ILE H H 82 8.188 8.188 7.859 0.329 25600 5535 1 13 . 1 1 83 83 GLN N N 83 122.453 122.453 122.474 -0.021 25600 5536 1 13 . 1 1 83 83 GLN HA H 83 5.395 5.395 5.057 0.338 25600 5537 1 13 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.260 -1.240 25600 5538 1 13 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.530 -0.015 25600 5539 1 13 . 1 1 83 83 GLN H H 83 8.423 8.423 8.238 0.185 25600 5540 1 13 . 1 1 84 84 GLY N N 84 111.437 111.437 108.247 3.190 25600 5541 1 13 . 1 1 84 84 GLY CA C 84 43.698 43.698 43.542 0.156 25600 5542 1 13 . 1 1 84 84 GLY H H 84 8.931 8.931 8.356 0.575 25600 5543 1 13 . 1 1 85 85 SER N N 85 113.877 113.877 114.228 -0.351 25600 5544 1 13 . 1 1 85 85 SER HA H 85 5.841 5.841 4.881 0.960 25600 5545 1 13 . 1 1 85 85 SER CA C 85 56.264 56.264 57.507 -1.243 25600 5546 1 13 . 1 1 85 85 SER CB C 85 66.946 66.946 66.445 0.501 25600 5547 1 13 . 1 1 85 85 SER H H 85 8.710 8.710 8.228 0.482 25600 5548 1 13 . 1 1 86 86 THR N N 86 115.389 115.389 115.920 -0.531 25600 5549 1 13 . 1 1 86 86 THR HA H 86 4.772 4.772 4.580 0.192 25600 5550 1 13 . 1 1 86 86 THR CA C 86 60.313 60.313 62.230 -1.917 25600 5551 1 13 . 1 1 86 86 THR CB C 86 69.953 69.953 72.046 -2.093 25600 5552 1 13 . 1 1 86 86 THR H H 86 8.854 8.854 8.853 0.001 25600 5553 1 13 . 1 1 87 87 ASP N N 87 124.623 124.623 125.373 -0.750 25600 5554 1 13 . 1 1 87 87 ASP HA H 87 5.436 5.436 5.111 0.325 25600 5555 1 13 . 1 1 87 87 ASP CA C 87 53.796 53.796 52.881 0.915 25600 5556 1 13 . 1 1 87 87 ASP CB C 87 42.010 42.010 43.266 -1.256 25600 5557 1 13 . 1 1 87 87 ASP H H 87 7.953 7.953 8.549 -0.596 25600 5558 1 13 . 1 1 88 88 PHE N N 88 123.577 123.577 122.451 1.126 25600 5559 1 13 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.713 -0.782 25600 5560 1 13 . 1 1 88 88 PHE CA C 88 56.968 56.968 55.470 1.498 25600 5561 1 13 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.046 -0.162 25600 5562 1 13 . 1 1 88 88 PHE H H 88 9.094 9.094 8.105 0.989 25600 5563 1 13 . 1 1 89 89 LYS N N 89 126.965 126.965 124.424 2.541 25600 5564 1 13 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.564 0.474 25600 5565 1 13 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.200 -1.311 25600 5566 1 13 . 1 1 89 89 LYS CB C 89 34.669 34.669 36.041 -1.373 25600 5567 1 13 . 1 1 89 89 LYS H H 89 7.269 7.269 8.169 -0.900 25600 5568 1 13 . 1 1 90 90 VAL N N 90 126.148 126.148 128.848 -2.700 25600 5569 1 13 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.449 -0.438 25600 5570 1 13 . 1 1 90 90 VAL CA C 90 59.547 59.547 59.701 -0.154 25600 5571 1 13 . 1 1 90 90 VAL CB C 90 30.948 30.948 32.916 -1.968 25600 5572 1 13 . 1 1 90 90 VAL H H 90 9.086 9.086 8.343 0.743 25600 5573 1 13 . 1 1 91 91 THR N N 91 120.506 120.506 120.749 -0.243 25600 5574 1 13 . 1 1 91 91 THR HA H 91 4.568 4.568 4.802 -0.234 25600 5575 1 13 . 1 1 91 91 THR CA C 91 59.348 59.348 59.494 -0.146 25600 5576 1 13 . 1 1 91 91 THR CB C 91 68.970 68.970 71.603 -2.633 25600 5577 1 13 . 1 1 91 91 THR H H 91 8.757 8.757 8.138 0.619 25600 5578 1 14 . 1 1 2 2 PRO HA H 2 4.277 4.277 4.629 -0.352 25600 5579 1 14 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.831 -1.610 25600 5580 1 14 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.842 -1.426 25600 5581 1 14 . 1 1 3 3 ALA N N 3 123.804 123.804 123.938 -0.134 25600 5582 1 14 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.735 -0.529 25600 5583 1 14 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.565 -0.170 25600 5584 1 14 . 1 1 3 3 ALA CB C 3 18.840 18.840 21.493 -2.653 25600 5585 1 14 . 1 1 3 3 ALA H H 3 8.647 8.647 8.247 0.400 25600 5586 1 14 . 1 1 4 4 ALA N N 4 124.059 124.059 124.905 -0.846 25600 5587 1 14 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.792 -0.083 25600 5588 1 14 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.669 -0.647 25600 5589 1 14 . 1 1 4 4 ALA CB C 4 19.897 19.897 21.230 -1.333 25600 5590 1 14 . 1 1 4 4 ALA H H 4 8.239 8.239 8.467 -0.228 25600 5591 1 14 . 1 1 5 5 LEU N N 5 124.019 124.019 120.868 3.151 25600 5592 1 14 . 1 1 5 5 LEU HA H 5 3.372 3.372 3.738 -0.366 25600 5593 1 14 . 1 1 5 5 LEU CA C 5 55.008 55.008 55.836 -0.827 25600 5594 1 14 . 1 1 5 5 LEU CB C 5 41.242 41.242 41.972 -0.730 25600 5595 1 14 . 1 1 5 5 LEU H H 5 8.560 8.560 8.431 0.129 25600 5596 1 14 . 1 1 6 6 VAL N N 6 123.356 123.356 119.131 4.225 25600 5597 1 14 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.373 -0.276 25600 5598 1 14 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.187 0.153 25600 5599 1 14 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.968 -1.020 25600 5600 1 14 . 1 1 6 6 VAL H H 6 9.119 9.119 8.198 0.921 25600 5601 1 14 . 1 1 7 7 SER N N 7 112.134 112.134 112.459 -0.325 25600 5602 1 14 . 1 1 7 7 SER HA H 7 4.445 4.445 4.758 -0.313 25600 5603 1 14 . 1 1 7 7 SER CA C 7 56.349 56.349 57.505 -1.156 25600 5604 1 14 . 1 1 7 7 SER CB C 7 64.361 64.361 66.087 -1.726 25600 5605 1 14 . 1 1 7 7 SER H H 7 7.680 7.680 7.639 0.041 25600 5606 1 14 . 1 1 8 8 ILE N N 8 118.674 118.674 118.102 0.572 25600 5607 1 14 . 1 1 8 8 ILE HA H 8 4.673 4.673 4.881 -0.208 25600 5608 1 14 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.484 -0.338 25600 5609 1 14 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.157 -0.483 25600 5610 1 14 . 1 1 8 8 ILE H H 8 8.354 8.354 8.219 0.135 25600 5611 1 14 . 1 1 9 9 SER N N 9 121.318 121.318 120.777 0.541 25600 5612 1 14 . 1 1 9 9 SER HA H 9 4.863 4.863 4.845 0.018 25600 5613 1 14 . 1 1 9 9 SER CA C 9 55.381 55.381 57.581 -2.200 25600 5614 1 14 . 1 1 9 9 SER CB C 9 64.243 64.243 63.482 0.761 25600 5615 1 14 . 1 1 9 9 SER H H 9 9.028 9.028 8.826 0.202 25600 5616 1 14 . 1 1 10 10 VAL N N 10 127.509 127.509 121.663 5.846 25600 5617 1 14 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.878 0.172 25600 5618 1 14 . 1 1 10 10 VAL CA C 10 60.912 60.912 59.687 1.225 25600 5619 1 14 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.401 -0.014 25600 5620 1 14 . 1 1 10 10 VAL H H 10 8.911 8.911 8.274 0.637 25600 5621 1 14 . 1 1 11 11 SER N N 11 121.861 121.861 122.626 -0.765 25600 5622 1 14 . 1 1 11 11 SER CB C 11 64.373 64.373 63.657 0.716 25600 5623 1 14 . 1 1 11 11 SER H H 11 9.205 9.205 8.605 0.600 25600 5624 1 14 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.612 0.092 25600 5625 1 14 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.760 -1.861 25600 5626 1 14 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.270 1.819 25600 5627 1 14 . 1 1 13 13 THR N N 13 116.138 116.138 118.507 -2.369 25600 5628 1 14 . 1 1 13 13 THR HA H 13 4.770 4.770 4.553 0.217 25600 5629 1 14 . 1 1 13 13 THR CA C 13 60.153 60.153 61.459 -1.306 25600 5630 1 14 . 1 1 13 13 THR CB C 13 69.426 69.426 69.876 -0.450 25600 5631 1 14 . 1 1 13 13 THR H H 13 8.679 8.679 8.750 -0.071 25600 5632 1 14 . 1 1 14 14 ASN N N 14 124.457 124.457 125.144 -0.687 25600 5633 1 14 . 1 1 14 14 ASN HA H 14 4.695 4.695 5.521 -0.826 25600 5634 1 14 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.303 0.825 25600 5635 1 14 . 1 1 14 14 ASN CB C 14 36.593 36.593 39.672 -3.079 25600 5636 1 14 . 1 1 14 14 ASN H H 14 8.710 8.710 8.669 0.041 25600 5637 1 14 . 1 1 15 15 SER N N 15 113.673 113.673 118.680 -5.007 25600 5638 1 14 . 1 1 15 15 SER HA H 15 4.648 4.648 4.665 -0.017 25600 5639 1 14 . 1 1 15 15 SER CA C 15 55.644 55.644 57.625 -1.981 25600 5640 1 14 . 1 1 15 15 SER CB C 15 63.953 63.953 64.719 -0.766 25600 5641 1 14 . 1 1 15 15 SER H H 15 9.127 9.127 8.230 0.897 25600 5642 1 14 . 1 1 16 16 THR N N 16 113.579 113.579 112.781 0.798 25600 5643 1 14 . 1 1 16 16 THR HA H 16 4.976 4.976 4.953 0.023 25600 5644 1 14 . 1 1 16 16 THR CA C 16 58.445 58.445 60.458 -2.013 25600 5645 1 14 . 1 1 16 16 THR CB C 16 70.534 70.534 70.683 -0.149 25600 5646 1 14 . 1 1 16 16 THR H H 16 7.962 7.962 8.147 -0.185 25600 5647 1 14 . 1 1 17 17 VAL N N 17 121.479 121.479 122.411 -0.932 25600 5648 1 14 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.276 0.044 25600 5649 1 14 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.630 0.307 25600 5650 1 14 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.789 -0.385 25600 5651 1 14 . 1 1 17 17 VAL H H 17 7.969 7.969 8.063 -0.094 25600 5652 1 14 . 1 1 18 18 ALA N N 18 126.014 126.014 127.422 -1.408 25600 5653 1 14 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.285 -0.110 25600 5654 1 14 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.859 -0.896 25600 5655 1 14 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.773 -0.851 25600 5656 1 14 . 1 1 18 18 ALA H H 18 7.756 7.756 8.203 -0.447 25600 5657 1 14 . 1 1 19 19 LYS N N 19 119.741 119.741 123.096 -3.355 25600 5658 1 14 . 1 1 19 19 LYS HA H 19 3.487 3.487 3.895 -0.408 25600 5659 1 14 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.383 0.389 25600 5660 1 14 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.568 -0.966 25600 5661 1 14 . 1 1 19 19 LYS H H 19 7.893 7.893 8.181 -0.288 25600 5662 1 14 . 1 1 20 20 GLY N N 20 116.709 116.709 113.849 2.860 25600 5663 1 14 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.084 -1.321 25600 5664 1 14 . 1 1 20 20 GLY H H 20 8.615 8.615 8.898 -0.283 25600 5665 1 14 . 1 1 21 21 LEU N N 21 123.004 123.004 122.098 0.906 25600 5666 1 14 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.690 -0.102 25600 5667 1 14 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.493 -1.128 25600 5668 1 14 . 1 1 21 21 LEU CB C 21 40.962 40.962 45.844 -4.883 25600 5669 1 14 . 1 1 21 21 LEU H H 21 8.013 8.013 7.743 0.270 25600 5670 1 14 . 1 1 22 22 GLN N N 22 117.504 117.504 116.553 0.951 25600 5671 1 14 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.221 -0.093 25600 5672 1 14 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.422 -0.753 25600 5673 1 14 . 1 1 22 22 GLN CB C 22 30.914 30.914 32.152 -1.238 25600 5674 1 14 . 1 1 22 22 GLN H H 22 8.223 8.223 8.226 -0.003 25600 5675 1 14 . 1 1 23 23 GLU N N 23 118.125 118.125 121.716 -3.591 25600 5676 1 14 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.454 0.109 25600 5677 1 14 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.528 -1.661 25600 5678 1 14 . 1 1 23 23 GLU CB C 23 32.874 32.874 32.553 0.321 25600 5679 1 14 . 1 1 23 23 GLU H H 23 8.188 8.188 8.465 -0.277 25600 5680 1 14 . 1 1 24 24 ASN N N 24 125.841 125.841 122.222 3.619 25600 5681 1 14 . 1 1 24 24 ASN HA H 24 4.778 4.778 4.790 -0.012 25600 5682 1 14 . 1 1 24 24 ASN CA C 24 52.511 52.511 52.630 -0.118 25600 5683 1 14 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.444 0.302 25600 5684 1 14 . 1 1 24 24 ASN H H 24 9.391 9.391 8.351 1.040 25600 5685 1 14 . 1 1 25 25 PHE N N 25 122.823 122.823 121.908 0.915 25600 5686 1 14 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.721 -0.070 25600 5687 1 14 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.788 0.335 25600 5688 1 14 . 1 1 25 25 PHE CB C 25 39.059 39.059 42.520 -3.461 25600 5689 1 14 . 1 1 25 25 PHE H H 25 8.062 8.062 7.964 0.098 25600 5690 1 14 . 1 1 26 26 LYS N N 26 119.114 119.114 119.001 0.113 25600 5691 1 14 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.726 0.518 25600 5692 1 14 . 1 1 26 26 LYS CA C 26 52.976 52.976 56.439 -3.463 25600 5693 1 14 . 1 1 26 26 LYS CB C 26 34.661 34.661 36.315 -1.654 25600 5694 1 14 . 1 1 26 26 LYS H H 26 9.255 9.255 8.759 0.496 25600 5695 1 14 . 1 1 27 27 ALA N N 27 125.586 125.586 127.633 -2.047 25600 5696 1 14 . 1 1 27 27 ALA HA H 27 5.262 5.262 5.027 0.235 25600 5697 1 14 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.182 -2.365 25600 5698 1 14 . 1 1 27 27 ALA CB C 27 21.160 21.160 21.537 -0.377 25600 5699 1 14 . 1 1 27 27 ALA H H 27 9.120 9.120 8.957 0.163 25600 5700 1 14 . 1 1 28 28 THR N N 28 120.627 120.627 118.786 1.841 25600 5701 1 14 . 1 1 28 28 THR HA H 28 4.837 4.837 4.790 0.047 25600 5702 1 14 . 1 1 28 28 THR CA C 28 60.566 60.566 60.981 -0.415 25600 5703 1 14 . 1 1 28 28 THR CB C 28 69.478 69.478 70.429 -0.951 25600 5704 1 14 . 1 1 28 28 THR H H 28 9.062 9.062 8.247 0.815 25600 5705 1 14 . 1 1 29 29 GLY N N 29 115.788 115.788 113.670 2.118 25600 5706 1 14 . 1 1 29 29 GLY CA C 29 44.316 44.316 44.217 0.099 25600 5707 1 14 . 1 1 29 29 GLY H H 29 9.663 9.663 8.903 0.760 25600 5708 1 14 . 1 1 30 30 ILE N N 30 123.085 123.085 122.931 0.154 25600 5709 1 14 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.679 0.099 25600 5710 1 14 . 1 1 30 30 ILE CA C 30 59.388 59.388 59.173 0.215 25600 5711 1 14 . 1 1 30 30 ILE CB C 30 36.883 36.883 40.561 -3.678 25600 5712 1 14 . 1 1 30 30 ILE H H 30 7.914 7.914 8.918 -1.004 25600 5713 1 14 . 1 1 31 31 PHE N N 31 125.209 125.209 123.720 1.489 25600 5714 1 14 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.049 0.321 25600 5715 1 14 . 1 1 31 31 PHE CA C 31 56.487 56.487 56.706 -0.219 25600 5716 1 14 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.618 -1.465 25600 5717 1 14 . 1 1 31 31 PHE H H 31 8.316 8.316 8.717 -0.401 25600 5718 1 14 . 1 1 32 32 THR N N 32 113.843 113.843 117.284 -3.441 25600 5719 1 14 . 1 1 32 32 THR HA H 32 4.404 4.404 4.135 0.269 25600 5720 1 14 . 1 1 32 32 THR CA C 32 64.157 64.157 65.102 -0.945 25600 5721 1 14 . 1 1 32 32 THR CB C 32 68.540 68.540 69.005 -0.465 25600 5722 1 14 . 1 1 32 32 THR H H 32 9.335 9.335 8.892 0.443 25600 5723 1 14 . 1 1 33 33 ASP N N 33 118.800 118.800 120.154 -1.354 25600 5724 1 14 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.698 -0.077 25600 5725 1 14 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.105 -1.142 25600 5726 1 14 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.769 -2.275 25600 5727 1 14 . 1 1 33 33 ASP H H 33 7.689 7.689 8.439 -0.750 25600 5728 1 14 . 1 1 34 34 ASN N N 34 112.995 112.995 114.484 -1.489 25600 5729 1 14 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.387 -0.039 25600 5730 1 14 . 1 1 34 34 ASN CA C 34 54.346 54.346 55.163 -0.817 25600 5731 1 14 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.769 -0.279 25600 5732 1 14 . 1 1 34 34 ASN H H 34 8.370 8.370 8.015 0.355 25600 5733 1 14 . 1 1 35 35 SER N N 35 115.545 115.545 116.197 -0.652 25600 5734 1 14 . 1 1 35 35 SER HA H 35 4.413 4.413 4.589 -0.176 25600 5735 1 14 . 1 1 35 35 SER CA C 35 57.882 57.882 57.772 0.110 25600 5736 1 14 . 1 1 35 35 SER CB C 35 63.770 63.770 63.318 0.452 25600 5737 1 14 . 1 1 35 35 SER H H 35 7.990 7.990 8.057 -0.067 25600 5738 1 14 . 1 1 36 36 ASN N N 36 116.053 116.053 123.980 -7.927 25600 5739 1 14 . 1 1 36 36 ASN HA H 36 2.890 2.890 5.049 -2.159 25600 5740 1 14 . 1 1 36 36 ASN CA C 36 50.674 50.674 53.282 -2.608 25600 5741 1 14 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.093 1.706 25600 5742 1 14 . 1 1 36 36 ASN H H 36 8.518 8.518 8.146 0.372 25600 5743 1 14 . 1 1 37 37 SER N N 37 113.191 113.191 115.692 -2.501 25600 5744 1 14 . 1 1 37 37 SER HA H 37 4.715 4.715 4.774 -0.059 25600 5745 1 14 . 1 1 37 37 SER CA C 37 56.801 56.801 57.137 -0.336 25600 5746 1 14 . 1 1 37 37 SER CB C 37 64.872 64.872 65.664 -0.792 25600 5747 1 14 . 1 1 37 37 SER H H 37 8.667 8.667 8.466 0.201 25600 5748 1 14 . 1 1 38 38 ASP N N 38 123.962 123.962 120.870 3.092 25600 5749 1 14 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.705 0.282 25600 5750 1 14 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.809 0.393 25600 5751 1 14 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.701 -1.772 25600 5752 1 14 . 1 1 38 38 ASP H H 38 8.848 8.848 8.512 0.336 25600 5753 1 14 . 1 1 39 39 ILE N N 39 121.216 121.216 122.079 -0.863 25600 5754 1 14 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.832 1.039 25600 5755 1 14 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.309 -2.602 25600 5756 1 14 . 1 1 39 39 ILE CB C 39 37.086 37.086 37.506 -0.420 25600 5757 1 14 . 1 1 39 39 ILE H H 39 8.815 8.815 8.577 0.238 25600 5758 1 14 . 1 1 40 40 THR N N 40 122.867 122.867 115.646 7.221 25600 5759 1 14 . 1 1 40 40 THR HA H 40 4.288 4.288 4.124 0.164 25600 5760 1 14 . 1 1 40 40 THR CB C 40 68.527 68.527 68.651 -0.124 25600 5761 1 14 . 1 1 40 40 THR H H 40 8.679 8.679 8.223 0.456 25600 5762 1 14 . 1 1 41 41 ASP N N 41 114.081 114.081 119.451 -5.370 25600 5763 1 14 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.827 -1.129 25600 5764 1 14 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.281 -0.803 25600 5765 1 14 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.881 -2.163 25600 5766 1 14 . 1 1 41 41 ASP H H 41 8.539 8.539 8.515 0.024 25600 5767 1 14 . 1 1 42 42 GLN N N 42 117.087 117.087 117.398 -0.311 25600 5768 1 14 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.024 0.127 25600 5769 1 14 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.160 -0.624 25600 5770 1 14 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.258 2.958 25600 5771 1 14 . 1 1 42 42 GLN H H 42 7.718 7.718 7.408 0.310 25600 5772 1 14 . 1 1 43 43 VAL N N 43 109.916 109.916 123.478 -13.562 25600 5773 1 14 . 1 1 43 43 VAL HA H 43 4.089 4.089 4.626 -0.537 25600 5774 1 14 . 1 1 43 43 VAL CA C 43 58.840 58.840 60.875 -2.035 25600 5775 1 14 . 1 1 43 43 VAL CB C 43 31.273 31.273 33.567 -2.294 25600 5776 1 14 . 1 1 43 43 VAL H H 43 6.902 6.902 8.256 -1.354 25600 5777 1 14 . 1 1 44 44 THR N N 44 116.272 116.272 124.597 -8.325 25600 5778 1 14 . 1 1 44 44 THR HA H 44 4.315 4.315 4.557 -0.242 25600 5779 1 14 . 1 1 44 44 THR CA C 44 61.651 61.651 61.567 0.084 25600 5780 1 14 . 1 1 44 44 THR CB C 44 68.890 68.890 68.811 0.079 25600 5781 1 14 . 1 1 44 44 THR H H 44 8.787 8.787 8.368 0.419 25600 5782 1 14 . 1 1 45 45 TRP N N 45 132.098 132.098 125.714 6.384 25600 5783 1 14 . 1 1 45 45 TRP HA H 45 5.245 5.245 5.040 0.205 25600 5784 1 14 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.921 0.466 25600 5785 1 14 . 1 1 45 45 TRP CB C 45 30.077 30.077 30.373 -0.296 25600 5786 1 14 . 1 1 45 45 TRP H H 45 10.351 10.351 8.218 2.133 25600 5787 1 14 . 1 1 46 46 ASP N N 46 121.897 121.897 123.157 -1.260 25600 5788 1 14 . 1 1 46 46 ASP HA H 46 4.857 4.857 5.043 -0.186 25600 5789 1 14 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.620 -0.823 25600 5790 1 14 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.039 0.036 25600 5791 1 14 . 1 1 46 46 ASP H H 46 9.471 9.471 8.414 1.057 25600 5792 1 14 . 1 1 47 47 SER N N 47 113.805 113.805 118.638 -4.833 25600 5793 1 14 . 1 1 47 47 SER HA H 47 5.043 5.043 5.519 -0.476 25600 5794 1 14 . 1 1 47 47 SER CA C 47 53.059 53.059 56.642 -3.583 25600 5795 1 14 . 1 1 47 47 SER CB C 47 64.880 64.880 67.036 -2.156 25600 5796 1 14 . 1 1 47 47 SER H H 47 8.502 8.502 8.482 0.020 25600 5797 1 14 . 1 1 48 48 SER N N 48 119.614 119.614 117.903 1.711 25600 5798 1 14 . 1 1 48 48 SER HA H 48 4.264 4.264 4.220 0.044 25600 5799 1 14 . 1 1 48 48 SER CA C 48 59.404 59.404 60.019 -0.615 25600 5800 1 14 . 1 1 48 48 SER CB C 48 62.026 62.026 63.513 -1.487 25600 5801 1 14 . 1 1 48 48 SER H H 48 8.517 8.517 8.498 0.019 25600 5802 1 14 . 1 1 49 49 ASN N N 49 118.260 118.260 115.736 2.524 25600 5803 1 14 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.667 0.231 25600 5804 1 14 . 1 1 49 49 ASN CA C 49 52.841 52.841 53.567 -0.726 25600 5805 1 14 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.935 -1.215 25600 5806 1 14 . 1 1 49 49 ASN H H 49 7.816 7.816 7.936 -0.120 25600 5807 1 14 . 1 1 50 50 THR N N 50 119.288 119.288 115.209 4.079 25600 5808 1 14 . 1 1 50 50 THR HA H 50 4.541 4.541 4.521 0.020 25600 5809 1 14 . 1 1 50 50 THR CA C 50 62.137 62.137 62.621 -0.484 25600 5810 1 14 . 1 1 50 50 THR CB C 50 67.100 67.100 69.663 -2.563 25600 5811 1 14 . 1 1 50 50 THR H H 50 9.049 9.049 8.164 0.885 25600 5812 1 14 . 1 1 51 51 ASP N N 51 118.825 118.825 119.408 -0.583 25600 5813 1 14 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.783 -0.197 25600 5814 1 14 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.349 0.341 25600 5815 1 14 . 1 1 51 51 ASP CB C 51 39.658 39.658 43.160 -3.502 25600 5816 1 14 . 1 1 51 51 ASP H H 51 8.251 8.251 8.027 0.224 25600 5817 1 14 . 1 1 52 52 ILE N N 52 118.411 118.411 121.080 -2.669 25600 5818 1 14 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.417 -0.492 25600 5819 1 14 . 1 1 52 52 ILE CA C 52 61.681 61.681 60.266 1.415 25600 5820 1 14 . 1 1 52 52 ILE CB C 52 38.896 38.896 37.860 1.036 25600 5821 1 14 . 1 1 52 52 ILE H H 52 7.169 7.169 7.889 -0.720 25600 5822 1 14 . 1 1 53 53 LEU N N 53 120.126 120.126 123.627 -3.501 25600 5823 1 14 . 1 1 53 53 LEU HA H 53 5.021 5.021 5.262 -0.241 25600 5824 1 14 . 1 1 53 53 LEU CA C 53 53.281 53.281 54.317 -1.036 25600 5825 1 14 . 1 1 53 53 LEU CB C 53 46.405 46.405 45.020 1.385 25600 5826 1 14 . 1 1 53 53 LEU H H 53 7.876 7.876 8.299 -0.423 25600 5827 1 14 . 1 1 54 54 SER N N 54 122.252 122.252 116.992 5.260 25600 5828 1 14 . 1 1 54 54 SER HA H 54 4.959 4.959 4.910 0.049 25600 5829 1 14 . 1 1 54 54 SER CA C 54 54.724 54.724 57.234 -2.510 25600 5830 1 14 . 1 1 54 54 SER CB C 54 64.417 64.417 66.078 -1.661 25600 5831 1 14 . 1 1 54 54 SER H H 54 8.650 8.650 8.638 0.012 25600 5832 1 14 . 1 1 55 55 ILE N N 55 123.973 123.973 124.320 -0.347 25600 5833 1 14 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.556 0.345 25600 5834 1 14 . 1 1 55 55 ILE CA C 55 58.868 58.868 60.086 -1.218 25600 5835 1 14 . 1 1 55 55 ILE CB C 55 41.418 41.418 40.318 1.101 25600 5836 1 14 . 1 1 55 55 ILE H H 55 9.081 9.081 8.593 0.488 25600 5837 1 14 . 1 1 56 56 SER N N 56 119.540 119.540 121.587 -2.047 25600 5838 1 14 . 1 1 56 56 SER HA H 56 4.387 4.387 4.177 0.210 25600 5839 1 14 . 1 1 56 56 SER CA C 56 56.626 56.626 56.782 -0.156 25600 5840 1 14 . 1 1 56 56 SER CB C 56 63.106 63.106 64.959 -1.853 25600 5841 1 14 . 1 1 56 56 SER H H 56 7.905 7.905 8.168 -0.263 25600 5842 1 14 . 1 1 57 57 ASN N N 57 124.207 124.207 125.105 -0.898 25600 5843 1 14 . 1 1 57 57 ASN HA H 57 5.019 5.019 5.175 -0.156 25600 5844 1 14 . 1 1 57 57 ASN CA C 57 52.469 52.469 52.344 0.125 25600 5845 1 14 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.851 0.239 25600 5846 1 14 . 1 1 57 57 ASN H H 57 8.945 8.945 8.264 0.681 25600 5847 1 14 . 1 1 58 58 ALA N N 58 124.301 124.301 127.179 -2.878 25600 5848 1 14 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.342 -0.209 25600 5849 1 14 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.409 -1.122 25600 5850 1 14 . 1 1 58 58 ALA CB C 58 18.354 18.354 20.090 -1.736 25600 5851 1 14 . 1 1 58 58 ALA H H 58 8.150 8.150 8.103 0.047 25600 5852 1 14 . 1 1 59 59 SER N N 59 113.299 113.299 115.528 -2.229 25600 5853 1 14 . 1 1 59 59 SER HA H 59 4.698 4.698 4.207 0.491 25600 5854 1 14 . 1 1 59 59 SER CA C 59 60.003 60.003 60.742 -0.739 25600 5855 1 14 . 1 1 59 59 SER CB C 59 62.574 62.574 63.391 -0.816 25600 5856 1 14 . 1 1 59 59 SER H H 59 8.377 8.377 8.564 -0.187 25600 5857 1 14 . 1 1 60 60 ASP N N 60 116.275 116.275 122.405 -6.130 25600 5858 1 14 . 1 1 60 60 ASP HA H 60 4.661 4.661 4.456 0.205 25600 5859 1 14 . 1 1 60 60 ASP CA C 60 52.769 52.769 56.457 -3.688 25600 5860 1 14 . 1 1 60 60 ASP CB C 60 39.712 39.712 40.836 -1.124 25600 5861 1 14 . 1 1 60 60 ASP H H 60 8.311 8.311 8.420 -0.109 25600 5862 1 14 . 1 1 61 61 SER N N 61 112.650 112.650 109.827 2.823 25600 5863 1 14 . 1 1 61 61 SER HA H 61 4.630 4.630 4.357 0.273 25600 5864 1 14 . 1 1 61 61 SER CA C 61 56.180 56.180 58.767 -2.587 25600 5865 1 14 . 1 1 61 61 SER CB C 61 61.843 61.843 63.338 -1.495 25600 5866 1 14 . 1 1 61 61 SER H H 61 7.588 7.588 8.009 -0.421 25600 5867 1 14 . 1 1 62 62 HIS N N 62 119.790 119.790 122.268 -2.478 25600 5868 1 14 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.412 -0.365 25600 5869 1 14 . 1 1 62 62 HIS CA C 62 56.919 56.919 56.918 0.001 25600 5870 1 14 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.073 -2.549 25600 5871 1 14 . 1 1 62 62 HIS H H 62 8.029 8.029 7.830 0.199 25600 5872 1 14 . 1 1 63 63 GLY N N 63 113.301 113.301 108.827 4.474 25600 5873 1 14 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.743 -1.090 25600 5874 1 14 . 1 1 63 63 GLY H H 63 8.733 8.733 8.459 0.274 25600 5875 1 14 . 1 1 64 64 LEU N N 64 120.664 120.664 116.451 4.213 25600 5876 1 14 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.137 -0.751 25600 5877 1 14 . 1 1 64 64 LEU CA C 64 54.893 54.893 54.928 -0.035 25600 5878 1 14 . 1 1 64 64 LEU CB C 64 41.463 41.463 45.372 -3.909 25600 5879 1 14 . 1 1 64 64 LEU H H 64 7.679 7.679 8.117 -0.438 25600 5880 1 14 . 1 1 65 65 ALA N N 65 108.346 108.346 121.734 -13.388 25600 5881 1 14 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.861 0.541 25600 5882 1 14 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.568 -1.301 25600 5883 1 14 . 1 1 65 65 ALA CB C 65 21.555 21.555 21.189 0.366 25600 5884 1 14 . 1 1 65 65 ALA H H 65 9.874 9.874 8.595 1.279 25600 5885 1 14 . 1 1 66 66 SER N N 66 115.951 115.951 119.201 -3.250 25600 5886 1 14 . 1 1 66 66 SER HA H 66 4.909 4.909 5.633 -0.724 25600 5887 1 14 . 1 1 66 66 SER CA C 66 56.645 56.645 56.018 0.627 25600 5888 1 14 . 1 1 66 66 SER CB C 66 63.823 63.823 65.109 -1.286 25600 5889 1 14 . 1 1 66 66 SER H H 66 8.938 8.938 8.868 0.070 25600 5890 1 14 . 1 1 67 67 THR N N 67 113.596 113.596 116.519 -2.923 25600 5891 1 14 . 1 1 67 67 THR HA H 67 4.649 4.649 4.997 -0.348 25600 5892 1 14 . 1 1 67 67 THR CA C 67 59.216 59.216 60.722 -1.506 25600 5893 1 14 . 1 1 67 67 THR CB C 67 69.006 69.006 71.542 -2.536 25600 5894 1 14 . 1 1 67 67 THR H H 67 8.258 8.258 8.793 -0.534 25600 5895 1 14 . 1 1 68 68 LEU N N 68 124.151 124.151 120.811 3.340 25600 5896 1 14 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.747 -0.391 25600 5897 1 14 . 1 1 68 68 LEU CA C 68 55.112 55.112 53.644 1.468 25600 5898 1 14 . 1 1 68 68 LEU CB C 68 42.915 42.915 40.612 2.303 25600 5899 1 14 . 1 1 68 68 LEU H H 68 8.616 8.616 9.023 -0.407 25600 5900 1 14 . 1 1 69 69 ASN N N 69 115.821 115.821 116.954 -1.133 25600 5901 1 14 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.898 -0.254 25600 5902 1 14 . 1 1 69 69 ASN CA C 69 51.456 51.456 52.280 -0.824 25600 5903 1 14 . 1 1 69 69 ASN CB C 69 42.306 42.306 42.273 0.033 25600 5904 1 14 . 1 1 69 69 ASN H H 69 7.965 7.965 7.928 0.037 25600 5905 1 14 . 1 1 70 70 GLN N N 70 114.564 114.564 119.400 -4.836 25600 5906 1 14 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.683 -0.758 25600 5907 1 14 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.044 0.193 25600 5908 1 14 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.125 0.881 25600 5909 1 14 . 1 1 70 70 GLN H H 70 8.287 8.287 8.572 -0.285 25600 5910 1 14 . 1 1 71 71 GLY N N 71 108.006 108.006 109.730 -1.724 25600 5911 1 14 . 1 1 71 71 GLY CA C 71 43.686 43.686 43.908 -0.222 25600 5912 1 14 . 1 1 71 71 GLY H H 71 8.520 8.520 7.769 0.751 25600 5913 1 14 . 1 1 72 72 ASN N N 72 117.785 117.785 118.805 -1.020 25600 5914 1 14 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.285 0.188 25600 5915 1 14 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.681 -0.990 25600 5916 1 14 . 1 1 72 72 ASN CB C 72 39.896 39.896 40.981 -1.085 25600 5917 1 14 . 1 1 72 72 ASN H H 72 8.420 8.420 8.383 0.037 25600 5918 1 14 . 1 1 73 73 VAL N N 73 115.848 115.848 122.006 -6.158 25600 5919 1 14 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.458 0.073 25600 5920 1 14 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.780 -0.805 25600 5921 1 14 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.626 -0.447 25600 5922 1 14 . 1 1 73 73 VAL H H 73 8.990 8.990 9.309 -0.319 25600 5923 1 14 . 1 1 74 74 LYS N N 74 123.195 123.195 127.085 -3.890 25600 5924 1 14 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.705 0.451 25600 5925 1 14 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.514 -0.633 25600 5926 1 14 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.661 -0.064 25600 5927 1 14 . 1 1 74 74 LYS H H 74 8.715 8.715 8.615 0.100 25600 5928 1 14 . 1 1 75 75 VAL N N 75 129.522 129.522 130.039 -0.517 25600 5929 1 14 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.241 0.301 25600 5930 1 14 . 1 1 75 75 VAL CA C 75 60.816 60.816 62.186 -1.370 25600 5931 1 14 . 1 1 75 75 VAL CB C 75 32.483 32.483 31.732 0.751 25600 5932 1 14 . 1 1 75 75 VAL H H 75 8.975 8.975 8.175 0.800 25600 5933 1 14 . 1 1 76 76 THR N N 76 120.548 120.548 123.417 -2.869 25600 5934 1 14 . 1 1 76 76 THR HA H 76 5.066 5.066 4.875 0.191 25600 5935 1 14 . 1 1 76 76 THR CA C 76 59.783 59.783 60.484 -0.701 25600 5936 1 14 . 1 1 76 76 THR CB C 76 70.733 70.733 71.091 -0.358 25600 5937 1 14 . 1 1 76 76 THR H H 76 8.650 8.650 8.686 -0.036 25600 5938 1 14 . 1 1 77 77 ALA N N 77 126.454 126.454 127.371 -0.917 25600 5939 1 14 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.512 -1.132 25600 5940 1 14 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.762 -2.332 25600 5941 1 14 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.734 -2.190 25600 5942 1 14 . 1 1 77 77 ALA H H 77 8.674 8.674 8.646 0.028 25600 5943 1 14 . 1 1 78 78 SER N N 78 113.568 113.568 117.183 -3.615 25600 5944 1 14 . 1 1 78 78 SER HA H 78 5.376 5.376 4.879 0.497 25600 5945 1 14 . 1 1 78 78 SER CA C 78 56.077 56.077 56.761 -0.684 25600 5946 1 14 . 1 1 78 78 SER CB C 78 65.730 65.730 65.319 0.411 25600 5947 1 14 . 1 1 78 78 SER H H 78 8.117 8.117 8.194 -0.077 25600 5948 1 14 . 1 1 79 79 ILE N N 79 121.071 121.071 126.973 -5.902 25600 5949 1 14 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.433 -0.292 25600 5950 1 14 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.288 0.836 25600 5951 1 14 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.836 -2.026 25600 5952 1 14 . 1 1 79 79 ILE H H 79 8.446 8.446 7.685 0.761 25600 5953 1 14 . 1 1 80 80 GLY N N 80 117.157 117.157 116.519 0.638 25600 5954 1 14 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.546 -0.540 25600 5955 1 14 . 1 1 80 80 GLY H H 80 8.899 8.899 8.798 0.101 25600 5956 1 14 . 1 1 81 81 GLY N N 81 110.716 110.716 110.471 0.245 25600 5957 1 14 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.922 -0.545 25600 5958 1 14 . 1 1 81 81 GLY H H 81 8.742 8.742 8.065 0.677 25600 5959 1 14 . 1 1 82 82 ILE N N 82 124.112 124.112 121.395 2.717 25600 5960 1 14 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.186 0.014 25600 5961 1 14 . 1 1 82 82 ILE CA C 82 59.033 59.033 60.449 -1.416 25600 5962 1 14 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.342 -1.565 25600 5963 1 14 . 1 1 82 82 ILE H H 82 8.188 8.188 7.955 0.233 25600 5964 1 14 . 1 1 83 83 GLN N N 83 122.453 122.453 121.105 1.348 25600 5965 1 14 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.560 0.835 25600 5966 1 14 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.264 -1.244 25600 5967 1 14 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.890 -0.375 25600 5968 1 14 . 1 1 83 83 GLN H H 83 8.423 8.423 8.173 0.250 25600 5969 1 14 . 1 1 84 84 GLY N N 84 111.437 111.437 108.056 3.381 25600 5970 1 14 . 1 1 84 84 GLY CA C 84 43.698 43.698 44.155 -0.457 25600 5971 1 14 . 1 1 84 84 GLY H H 84 8.931 8.931 8.685 0.246 25600 5972 1 14 . 1 1 85 85 SER N N 85 113.877 113.877 116.261 -2.384 25600 5973 1 14 . 1 1 85 85 SER HA H 85 5.841 5.841 5.102 0.739 25600 5974 1 14 . 1 1 85 85 SER CA C 85 56.264 56.264 57.028 -0.764 25600 5975 1 14 . 1 1 85 85 SER CB C 85 66.946 66.946 65.651 1.295 25600 5976 1 14 . 1 1 85 85 SER H H 85 8.710 8.710 8.375 0.335 25600 5977 1 14 . 1 1 86 86 THR N N 86 115.389 115.389 113.507 1.882 25600 5978 1 14 . 1 1 86 86 THR HA H 86 4.772 4.772 4.581 0.191 25600 5979 1 14 . 1 1 86 86 THR CA C 86 60.313 60.313 60.908 -0.595 25600 5980 1 14 . 1 1 86 86 THR CB C 86 69.953 69.953 71.106 -1.153 25600 5981 1 14 . 1 1 86 86 THR H H 86 8.854 8.854 8.308 0.546 25600 5982 1 14 . 1 1 87 87 ASP N N 87 124.623 124.623 121.933 2.690 25600 5983 1 14 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.914 0.522 25600 5984 1 14 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.425 0.371 25600 5985 1 14 . 1 1 87 87 ASP CB C 87 42.010 42.010 43.266 -1.256 25600 5986 1 14 . 1 1 87 87 ASP H H 87 7.953 7.953 8.585 -0.632 25600 5987 1 14 . 1 1 88 88 PHE N N 88 123.577 123.577 125.828 -2.251 25600 5988 1 14 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.374 -0.443 25600 5989 1 14 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.167 0.801 25600 5990 1 14 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.555 -0.671 25600 5991 1 14 . 1 1 88 88 PHE H H 88 9.094 9.094 9.276 -0.182 25600 5992 1 14 . 1 1 89 89 LYS N N 89 126.965 126.965 127.458 -0.493 25600 5993 1 14 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.761 0.277 25600 5994 1 14 . 1 1 89 89 LYS CA C 89 53.889 53.889 54.843 -0.954 25600 5995 1 14 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.112 -0.443 25600 5996 1 14 . 1 1 89 89 LYS H H 89 7.269 7.269 8.241 -0.972 25600 5997 1 14 . 1 1 90 90 VAL N N 90 126.148 126.148 127.878 -1.730 25600 5998 1 14 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.192 -0.181 25600 5999 1 14 . 1 1 90 90 VAL CA C 90 59.547 59.547 59.441 0.106 25600 6000 1 14 . 1 1 90 90 VAL CB C 90 30.948 30.948 34.121 -3.173 25600 6001 1 14 . 1 1 90 90 VAL H H 90 9.086 9.086 8.725 0.361 25600 6002 1 14 . 1 1 91 91 THR N N 91 120.506 120.506 120.313 0.193 25600 6003 1 14 . 1 1 91 91 THR HA H 91 4.568 4.568 4.854 -0.286 25600 6004 1 14 . 1 1 91 91 THR CA C 91 59.348 59.348 60.032 -0.684 25600 6005 1 14 . 1 1 91 91 THR CB C 91 68.970 68.970 71.773 -2.803 25600 6006 1 14 . 1 1 91 91 THR H H 91 8.757 8.757 8.080 0.677 25600 6007 1 15 . 1 1 2 2 PRO HA H 2 4.277 4.277 5.122 -0.845 25600 6008 1 15 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.728 -1.507 25600 6009 1 15 . 1 1 2 2 PRO CB C 2 31.416 31.416 33.680 -2.264 25600 6010 1 15 . 1 1 3 3 ALA N N 3 123.804 123.804 122.105 1.699 25600 6011 1 15 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.395 -0.189 25600 6012 1 15 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.975 -0.580 25600 6013 1 15 . 1 1 3 3 ALA CB C 3 18.840 18.840 20.532 -1.692 25600 6014 1 15 . 1 1 3 3 ALA H H 3 8.647 8.647 8.147 0.500 25600 6015 1 15 . 1 1 4 4 ALA N N 4 124.059 124.059 125.718 -1.659 25600 6016 1 15 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.895 -0.186 25600 6017 1 15 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.573 -0.551 25600 6018 1 15 . 1 1 4 4 ALA CB C 4 19.897 19.897 21.216 -1.319 25600 6019 1 15 . 1 1 4 4 ALA H H 4 8.239 8.239 8.494 -0.255 25600 6020 1 15 . 1 1 5 5 LEU N N 5 124.019 124.019 121.932 2.087 25600 6021 1 15 . 1 1 5 5 LEU HA H 5 3.372 3.372 3.796 -0.424 25600 6022 1 15 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.323 -1.315 25600 6023 1 15 . 1 1 5 5 LEU CB C 5 41.242 41.242 41.821 -0.579 25600 6024 1 15 . 1 1 5 5 LEU H H 5 8.560 8.560 8.643 -0.083 25600 6025 1 15 . 1 1 6 6 VAL N N 6 123.356 123.356 120.031 3.325 25600 6026 1 15 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.224 -0.127 25600 6027 1 15 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.731 -0.391 25600 6028 1 15 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.901 -0.953 25600 6029 1 15 . 1 1 6 6 VAL H H 6 9.119 9.119 8.000 1.119 25600 6030 1 15 . 1 1 7 7 SER N N 7 112.134 112.134 113.731 -1.597 25600 6031 1 15 . 1 1 7 7 SER HA H 7 4.445 4.445 4.836 -0.391 25600 6032 1 15 . 1 1 7 7 SER CA C 7 56.349 56.349 58.137 -1.788 25600 6033 1 15 . 1 1 7 7 SER CB C 7 64.361 64.361 66.768 -2.407 25600 6034 1 15 . 1 1 7 7 SER H H 7 7.680 7.680 7.613 0.067 25600 6035 1 15 . 1 1 8 8 ILE N N 8 118.674 118.674 115.632 3.042 25600 6036 1 15 . 1 1 8 8 ILE HA H 8 4.673 4.673 4.910 -0.237 25600 6037 1 15 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.907 -0.761 25600 6038 1 15 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.460 -0.786 25600 6039 1 15 . 1 1 8 8 ILE H H 8 8.354 8.354 8.199 0.155 25600 6040 1 15 . 1 1 9 9 SER N N 9 121.318 121.318 121.026 0.292 25600 6041 1 15 . 1 1 9 9 SER HA H 9 4.863 4.863 4.825 0.038 25600 6042 1 15 . 1 1 9 9 SER CA C 9 55.381 55.381 58.038 -2.657 25600 6043 1 15 . 1 1 9 9 SER CB C 9 64.243 64.243 63.036 1.206 25600 6044 1 15 . 1 1 9 9 SER H H 9 9.028 9.028 8.575 0.453 25600 6045 1 15 . 1 1 10 10 VAL N N 10 127.509 127.509 121.175 6.334 25600 6046 1 15 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.639 0.411 25600 6047 1 15 . 1 1 10 10 VAL CA C 10 60.912 60.912 59.843 1.069 25600 6048 1 15 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.878 -0.491 25600 6049 1 15 . 1 1 10 10 VAL H H 10 8.911 8.911 7.958 0.953 25600 6050 1 15 . 1 1 11 11 SER N N 11 121.861 121.861 122.323 -0.462 25600 6051 1 15 . 1 1 11 11 SER CB C 11 64.373 64.373 63.523 0.850 25600 6052 1 15 . 1 1 11 11 SER H H 11 9.205 9.205 8.602 0.603 25600 6053 1 15 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.262 0.442 25600 6054 1 15 . 1 1 12 12 PRO CA C 12 60.899 60.899 61.950 -1.051 25600 6055 1 15 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.325 1.764 25600 6056 1 15 . 1 1 13 13 THR N N 13 116.138 116.138 115.228 0.910 25600 6057 1 15 . 1 1 13 13 THR HA H 13 4.770 4.770 4.567 0.203 25600 6058 1 15 . 1 1 13 13 THR CA C 13 60.153 60.153 61.389 -1.236 25600 6059 1 15 . 1 1 13 13 THR CB C 13 69.426 69.426 71.091 -1.665 25600 6060 1 15 . 1 1 13 13 THR H H 13 8.679 8.679 8.176 0.503 25600 6061 1 15 . 1 1 14 14 ASN N N 14 124.457 124.457 123.973 0.484 25600 6062 1 15 . 1 1 14 14 ASN HA H 14 4.695 4.695 5.169 -0.474 25600 6063 1 15 . 1 1 14 14 ASN CA C 14 53.128 53.128 53.005 0.122 25600 6064 1 15 . 1 1 14 14 ASN CB C 14 36.593 36.593 39.414 -2.821 25600 6065 1 15 . 1 1 14 14 ASN H H 14 8.710 8.710 8.867 -0.157 25600 6066 1 15 . 1 1 15 15 SER N N 15 113.673 113.673 116.262 -2.589 25600 6067 1 15 . 1 1 15 15 SER HA H 15 4.648 4.648 4.972 -0.324 25600 6068 1 15 . 1 1 15 15 SER CA C 15 55.644 55.644 57.550 -1.906 25600 6069 1 15 . 1 1 15 15 SER CB C 15 63.953 63.953 65.842 -1.889 25600 6070 1 15 . 1 1 15 15 SER H H 15 9.127 9.127 7.967 1.160 25600 6071 1 15 . 1 1 16 16 THR N N 16 113.579 113.579 113.046 0.533 25600 6072 1 15 . 1 1 16 16 THR HA H 16 4.976 4.976 4.618 0.358 25600 6073 1 15 . 1 1 16 16 THR CA C 16 58.445 58.445 60.456 -2.011 25600 6074 1 15 . 1 1 16 16 THR CB C 16 70.534 70.534 70.498 0.036 25600 6075 1 15 . 1 1 16 16 THR H H 16 7.962 7.962 8.169 -0.207 25600 6076 1 15 . 1 1 17 17 VAL N N 17 121.479 121.479 117.529 3.950 25600 6077 1 15 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.520 -0.200 25600 6078 1 15 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.385 0.552 25600 6079 1 15 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.488 -0.084 25600 6080 1 15 . 1 1 17 17 VAL H H 17 7.969 7.969 9.037 -1.068 25600 6081 1 15 . 1 1 18 18 ALA N N 18 126.014 126.014 124.921 1.093 25600 6082 1 15 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.384 -0.209 25600 6083 1 15 . 1 1 18 18 ALA CA C 18 50.963 50.963 50.870 0.093 25600 6084 1 15 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.812 -0.890 25600 6085 1 15 . 1 1 18 18 ALA H H 18 7.756 7.756 8.124 -0.368 25600 6086 1 15 . 1 1 19 19 LYS N N 19 119.741 119.741 121.952 -2.211 25600 6087 1 15 . 1 1 19 19 LYS HA H 19 3.487 3.487 4.089 -0.602 25600 6088 1 15 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.674 0.098 25600 6089 1 15 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.798 -1.196 25600 6090 1 15 . 1 1 19 19 LYS H H 19 7.893 7.893 8.323 -0.430 25600 6091 1 15 . 1 1 20 20 GLY N N 20 116.709 116.709 112.930 3.779 25600 6092 1 15 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.447 -1.684 25600 6093 1 15 . 1 1 20 20 GLY H H 20 8.615 8.615 8.627 -0.012 25600 6094 1 15 . 1 1 21 21 LEU N N 21 123.004 123.004 122.213 0.791 25600 6095 1 15 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.677 -0.089 25600 6096 1 15 . 1 1 21 21 LEU CA C 21 53.365 53.365 53.916 -0.551 25600 6097 1 15 . 1 1 21 21 LEU CB C 21 40.962 40.962 45.964 -5.002 25600 6098 1 15 . 1 1 21 21 LEU H H 21 8.013 8.013 7.693 0.320 25600 6099 1 15 . 1 1 22 22 GLN N N 22 117.504 117.504 117.753 -0.249 25600 6100 1 15 . 1 1 22 22 GLN HA H 22 5.128 5.128 4.954 0.174 25600 6101 1 15 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.086 -0.417 25600 6102 1 15 . 1 1 22 22 GLN CB C 22 30.914 30.914 32.368 -1.454 25600 6103 1 15 . 1 1 22 22 GLN H H 22 8.223 8.223 8.239 -0.016 25600 6104 1 15 . 1 1 23 23 GLU N N 23 118.125 118.125 121.212 -3.087 25600 6105 1 15 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.544 0.019 25600 6106 1 15 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.723 -1.856 25600 6107 1 15 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.348 -0.474 25600 6108 1 15 . 1 1 23 23 GLU H H 23 8.188 8.188 8.605 -0.417 25600 6109 1 15 . 1 1 24 24 ASN N N 24 125.841 125.841 120.247 5.594 25600 6110 1 15 . 1 1 24 24 ASN HA H 24 4.778 4.778 4.855 -0.077 25600 6111 1 15 . 1 1 24 24 ASN CA C 24 52.511 52.511 52.942 -0.431 25600 6112 1 15 . 1 1 24 24 ASN CB C 24 39.746 39.746 40.123 -0.377 25600 6113 1 15 . 1 1 24 24 ASN H H 24 9.391 9.391 8.267 1.124 25600 6114 1 15 . 1 1 25 25 PHE N N 25 122.823 122.823 122.013 0.810 25600 6115 1 15 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.787 -0.136 25600 6116 1 15 . 1 1 25 25 PHE CA C 25 57.123 57.123 57.118 0.005 25600 6117 1 15 . 1 1 25 25 PHE CB C 25 39.059 39.059 43.590 -4.531 25600 6118 1 15 . 1 1 25 25 PHE H H 25 8.062 8.062 7.974 0.088 25600 6119 1 15 . 1 1 26 26 LYS N N 26 119.114 119.114 118.655 0.459 25600 6120 1 15 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.719 0.525 25600 6121 1 15 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.363 -2.387 25600 6122 1 15 . 1 1 26 26 LYS CB C 26 34.661 34.661 35.679 -1.018 25600 6123 1 15 . 1 1 26 26 LYS H H 26 9.255 9.255 8.612 0.643 25600 6124 1 15 . 1 1 27 27 ALA N N 27 125.586 125.586 124.644 0.942 25600 6125 1 15 . 1 1 27 27 ALA HA H 27 5.262 5.262 5.172 0.090 25600 6126 1 15 . 1 1 27 27 ALA CA C 27 48.817 48.817 50.643 -1.826 25600 6127 1 15 . 1 1 27 27 ALA CB C 27 21.160 21.160 20.987 0.173 25600 6128 1 15 . 1 1 27 27 ALA H H 27 9.120 9.120 8.816 0.304 25600 6129 1 15 . 1 1 28 28 THR N N 28 120.627 120.627 119.801 0.826 25600 6130 1 15 . 1 1 28 28 THR HA H 28 4.837 4.837 4.658 0.179 25600 6131 1 15 . 1 1 28 28 THR CA C 28 60.566 60.566 61.640 -1.074 25600 6132 1 15 . 1 1 28 28 THR CB C 28 69.478 69.478 70.430 -0.952 25600 6133 1 15 . 1 1 28 28 THR H H 28 9.062 9.062 8.348 0.714 25600 6134 1 15 . 1 1 29 29 GLY N N 29 115.788 115.788 113.914 1.874 25600 6135 1 15 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.984 0.332 25600 6136 1 15 . 1 1 29 29 GLY H H 29 9.663 9.663 8.939 0.724 25600 6137 1 15 . 1 1 30 30 ILE N N 30 123.085 123.085 122.623 0.462 25600 6138 1 15 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.642 0.136 25600 6139 1 15 . 1 1 30 30 ILE CA C 30 59.388 59.388 58.696 0.692 25600 6140 1 15 . 1 1 30 30 ILE CB C 30 36.883 36.883 40.947 -4.064 25600 6141 1 15 . 1 1 30 30 ILE H H 30 7.914 7.914 8.524 -0.610 25600 6142 1 15 . 1 1 31 31 PHE N N 31 125.209 125.209 122.307 2.902 25600 6143 1 15 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.141 0.229 25600 6144 1 15 . 1 1 31 31 PHE CA C 31 56.487 56.487 56.434 0.053 25600 6145 1 15 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.715 -1.562 25600 6146 1 15 . 1 1 31 31 PHE H H 31 8.316 8.316 8.706 -0.390 25600 6147 1 15 . 1 1 32 32 THR N N 32 113.843 113.843 117.526 -3.683 25600 6148 1 15 . 1 1 32 32 THR HA H 32 4.404 4.404 4.190 0.214 25600 6149 1 15 . 1 1 32 32 THR CA C 32 64.157 64.157 65.234 -1.077 25600 6150 1 15 . 1 1 32 32 THR CB C 32 68.540 68.540 68.746 -0.206 25600 6151 1 15 . 1 1 32 32 THR H H 32 9.335 9.335 8.964 0.371 25600 6152 1 15 . 1 1 33 33 ASP N N 33 118.800 118.800 119.416 -0.616 25600 6153 1 15 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.628 -0.007 25600 6154 1 15 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.482 -1.519 25600 6155 1 15 . 1 1 33 33 ASP CB C 33 38.494 38.494 39.822 -1.328 25600 6156 1 15 . 1 1 33 33 ASP H H 33 7.689 7.689 8.123 -0.434 25600 6157 1 15 . 1 1 34 34 ASN N N 34 112.995 112.995 114.349 -1.354 25600 6158 1 15 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.282 0.066 25600 6159 1 15 . 1 1 34 34 ASN CA C 34 54.346 54.346 55.066 -0.720 25600 6160 1 15 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.181 0.309 25600 6161 1 15 . 1 1 34 34 ASN H H 34 8.370 8.370 8.222 0.148 25600 6162 1 15 . 1 1 35 35 SER N N 35 115.545 115.545 116.105 -0.560 25600 6163 1 15 . 1 1 35 35 SER HA H 35 4.413 4.413 4.591 -0.178 25600 6164 1 15 . 1 1 35 35 SER CA C 35 57.882 57.882 57.407 0.475 25600 6165 1 15 . 1 1 35 35 SER CB C 35 63.770 63.770 63.470 0.300 25600 6166 1 15 . 1 1 35 35 SER H H 35 7.990 7.990 8.440 -0.450 25600 6167 1 15 . 1 1 36 36 ASN N N 36 116.053 116.053 124.165 -8.112 25600 6168 1 15 . 1 1 36 36 ASN HA H 36 2.890 2.890 5.158 -2.268 25600 6169 1 15 . 1 1 36 36 ASN CA C 36 50.674 50.674 53.264 -2.590 25600 6170 1 15 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.116 1.683 25600 6171 1 15 . 1 1 36 36 ASN H H 36 8.518 8.518 8.527 -0.010 25600 6172 1 15 . 1 1 37 37 SER N N 37 113.191 113.191 116.144 -2.953 25600 6173 1 15 . 1 1 37 37 SER HA H 37 4.715 4.715 4.840 -0.125 25600 6174 1 15 . 1 1 37 37 SER CA C 37 56.801 56.801 56.829 -0.028 25600 6175 1 15 . 1 1 37 37 SER CB C 37 64.872 64.872 66.104 -1.232 25600 6176 1 15 . 1 1 37 37 SER H H 37 8.667 8.667 8.520 0.147 25600 6177 1 15 . 1 1 38 38 ASP N N 38 123.962 123.962 121.178 2.784 25600 6178 1 15 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.763 0.224 25600 6179 1 15 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.424 0.777 25600 6180 1 15 . 1 1 38 38 ASP CB C 38 39.929 39.929 40.771 -0.842 25600 6181 1 15 . 1 1 38 38 ASP H H 38 8.848 8.848 8.591 0.257 25600 6182 1 15 . 1 1 39 39 ILE N N 39 121.216 121.216 116.479 4.737 25600 6183 1 15 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.820 1.051 25600 6184 1 15 . 1 1 39 39 ILE CA C 39 59.707 59.707 61.849 -2.142 25600 6185 1 15 . 1 1 39 39 ILE CB C 39 37.086 37.086 35.014 2.072 25600 6186 1 15 . 1 1 39 39 ILE H H 39 8.815 8.815 8.421 0.394 25600 6187 1 15 . 1 1 40 40 THR N N 40 122.867 122.867 115.968 6.899 25600 6188 1 15 . 1 1 40 40 THR HA H 40 4.288 4.288 4.080 0.208 25600 6189 1 15 . 1 1 40 40 THR CB C 40 68.527 68.527 68.814 -0.287 25600 6190 1 15 . 1 1 40 40 THR H H 40 8.679 8.679 8.431 0.248 25600 6191 1 15 . 1 1 41 41 ASP N N 41 114.081 114.081 119.706 -5.625 25600 6192 1 15 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.849 -1.151 25600 6193 1 15 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.102 -0.624 25600 6194 1 15 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.853 -2.135 25600 6195 1 15 . 1 1 41 41 ASP H H 41 8.539 8.539 8.336 0.203 25600 6196 1 15 . 1 1 42 42 GLN N N 42 117.087 117.087 116.400 0.687 25600 6197 1 15 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.137 0.014 25600 6198 1 15 . 1 1 42 42 GLN CA C 42 55.536 55.536 55.895 -0.359 25600 6199 1 15 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.515 2.701 25600 6200 1 15 . 1 1 42 42 GLN H H 42 7.718 7.718 7.805 -0.087 25600 6201 1 15 . 1 1 43 43 VAL N N 43 109.916 109.916 123.285 -13.369 25600 6202 1 15 . 1 1 43 43 VAL HA H 43 4.089 4.089 4.235 -0.146 25600 6203 1 15 . 1 1 43 43 VAL CA C 43 58.840 58.840 62.275 -3.435 25600 6204 1 15 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.801 -1.528 25600 6205 1 15 . 1 1 43 43 VAL H H 43 6.902 6.902 8.368 -1.466 25600 6206 1 15 . 1 1 44 44 THR N N 44 116.272 116.272 125.406 -9.134 25600 6207 1 15 . 1 1 44 44 THR HA H 44 4.315 4.315 4.442 -0.127 25600 6208 1 15 . 1 1 44 44 THR CA C 44 61.651 61.651 62.553 -0.902 25600 6209 1 15 . 1 1 44 44 THR CB C 44 68.890 68.890 68.540 0.351 25600 6210 1 15 . 1 1 44 44 THR H H 44 8.787 8.787 8.267 0.520 25600 6211 1 15 . 1 1 45 45 TRP N N 45 132.098 132.098 126.472 5.626 25600 6212 1 15 . 1 1 45 45 TRP HA H 45 5.245 5.245 5.264 -0.019 25600 6213 1 15 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.940 0.447 25600 6214 1 15 . 1 1 45 45 TRP CB C 45 30.077 30.077 30.230 -0.152 25600 6215 1 15 . 1 1 45 45 TRP H H 45 10.351 10.351 7.846 2.505 25600 6216 1 15 . 1 1 46 46 ASP N N 46 121.897 121.897 124.793 -2.896 25600 6217 1 15 . 1 1 46 46 ASP HA H 46 4.857 4.857 4.907 -0.050 25600 6218 1 15 . 1 1 46 46 ASP CA C 46 52.797 52.797 54.057 -1.260 25600 6219 1 15 . 1 1 46 46 ASP CB C 46 45.075 45.075 44.654 0.421 25600 6220 1 15 . 1 1 46 46 ASP H H 46 9.471 9.471 8.217 1.254 25600 6221 1 15 . 1 1 47 47 SER N N 47 113.805 113.805 117.317 -3.512 25600 6222 1 15 . 1 1 47 47 SER HA H 47 5.043 5.043 5.329 -0.286 25600 6223 1 15 . 1 1 47 47 SER CA C 47 53.059 53.059 56.977 -3.918 25600 6224 1 15 . 1 1 47 47 SER CB C 47 64.880 64.880 65.438 -0.558 25600 6225 1 15 . 1 1 47 47 SER H H 47 8.502 8.502 8.446 0.056 25600 6226 1 15 . 1 1 48 48 SER N N 48 119.614 119.614 120.348 -0.734 25600 6227 1 15 . 1 1 48 48 SER HA H 48 4.264 4.264 4.253 0.011 25600 6228 1 15 . 1 1 48 48 SER CA C 48 59.404 59.404 60.262 -0.858 25600 6229 1 15 . 1 1 48 48 SER CB C 48 62.026 62.026 63.484 -1.458 25600 6230 1 15 . 1 1 48 48 SER H H 48 8.517 8.517 8.755 -0.238 25600 6231 1 15 . 1 1 49 49 ASN N N 49 118.260 118.260 117.229 1.031 25600 6232 1 15 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.706 0.192 25600 6233 1 15 . 1 1 49 49 ASN CA C 49 52.841 52.841 53.976 -1.135 25600 6234 1 15 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.897 -1.177 25600 6235 1 15 . 1 1 49 49 ASN H H 49 7.816 7.816 8.113 -0.297 25600 6236 1 15 . 1 1 50 50 THR N N 50 119.288 119.288 117.941 1.347 25600 6237 1 15 . 1 1 50 50 THR HA H 50 4.541 4.541 4.489 0.052 25600 6238 1 15 . 1 1 50 50 THR CA C 50 62.137 62.137 63.305 -1.168 25600 6239 1 15 . 1 1 50 50 THR CB C 50 67.100 67.100 69.845 -2.745 25600 6240 1 15 . 1 1 50 50 THR H H 50 9.049 9.049 8.355 0.694 25600 6241 1 15 . 1 1 51 51 ASP N N 51 118.825 118.825 119.507 -0.682 25600 6242 1 15 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.746 -0.160 25600 6243 1 15 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.501 0.189 25600 6244 1 15 . 1 1 51 51 ASP CB C 51 39.658 39.658 43.633 -3.975 25600 6245 1 15 . 1 1 51 51 ASP H H 51 8.251 8.251 8.088 0.163 25600 6246 1 15 . 1 1 52 52 ILE N N 52 118.411 118.411 120.735 -2.324 25600 6247 1 15 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.447 -0.522 25600 6248 1 15 . 1 1 52 52 ILE CA C 52 61.681 61.681 60.434 1.247 25600 6249 1 15 . 1 1 52 52 ILE CB C 52 38.896 38.896 38.482 0.414 25600 6250 1 15 . 1 1 52 52 ILE H H 52 7.169 7.169 8.034 -0.865 25600 6251 1 15 . 1 1 53 53 LEU N N 53 120.126 120.126 123.173 -3.047 25600 6252 1 15 . 1 1 53 53 LEU HA H 53 5.021 5.021 4.999 0.022 25600 6253 1 15 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.047 0.233 25600 6254 1 15 . 1 1 53 53 LEU CB C 53 46.405 46.405 45.250 1.155 25600 6255 1 15 . 1 1 53 53 LEU H H 53 7.876 7.876 8.012 -0.136 25600 6256 1 15 . 1 1 54 54 SER N N 54 122.252 122.252 116.884 5.368 25600 6257 1 15 . 1 1 54 54 SER HA H 54 4.959 4.959 4.836 0.123 25600 6258 1 15 . 1 1 54 54 SER CA C 54 54.724 54.724 57.558 -2.834 25600 6259 1 15 . 1 1 54 54 SER CB C 54 64.417 64.417 66.239 -1.822 25600 6260 1 15 . 1 1 54 54 SER H H 54 8.650 8.650 8.792 -0.142 25600 6261 1 15 . 1 1 55 55 ILE N N 55 123.973 123.973 124.196 -0.223 25600 6262 1 15 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.194 0.707 25600 6263 1 15 . 1 1 55 55 ILE CA C 55 58.868 58.868 59.423 -0.555 25600 6264 1 15 . 1 1 55 55 ILE CB C 55 41.418 41.418 39.005 2.413 25600 6265 1 15 . 1 1 55 55 ILE H H 55 9.081 9.081 8.508 0.573 25600 6266 1 15 . 1 1 56 56 SER N N 56 119.540 119.540 120.756 -1.216 25600 6267 1 15 . 1 1 56 56 SER HA H 56 4.387 4.387 4.077 0.310 25600 6268 1 15 . 1 1 56 56 SER CA C 56 56.626 56.626 56.193 0.433 25600 6269 1 15 . 1 1 56 56 SER CB C 56 63.106 63.106 64.842 -1.736 25600 6270 1 15 . 1 1 56 56 SER H H 56 7.905 7.905 7.875 0.030 25600 6271 1 15 . 1 1 57 57 ASN N N 57 124.207 124.207 123.501 0.706 25600 6272 1 15 . 1 1 57 57 ASN HA H 57 5.019 5.019 4.511 0.508 25600 6273 1 15 . 1 1 57 57 ASN CA C 57 52.469 52.469 51.466 1.003 25600 6274 1 15 . 1 1 57 57 ASN CB C 57 40.090 40.090 38.996 1.094 25600 6275 1 15 . 1 1 57 57 ASN H H 57 8.945 8.945 8.336 0.609 25600 6276 1 15 . 1 1 58 58 ALA N N 58 124.301 124.301 121.431 2.870 25600 6277 1 15 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.046 0.087 25600 6278 1 15 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.623 -1.336 25600 6279 1 15 . 1 1 58 58 ALA CB C 58 18.354 18.354 18.623 -0.269 25600 6280 1 15 . 1 1 58 58 ALA H H 58 8.150 8.150 7.722 0.428 25600 6281 1 15 . 1 1 59 59 SER N N 59 113.299 113.299 116.941 -3.642 25600 6282 1 15 . 1 1 59 59 SER HA H 59 4.698 4.698 4.226 0.472 25600 6283 1 15 . 1 1 59 59 SER CA C 59 60.003 60.003 59.249 0.754 25600 6284 1 15 . 1 1 59 59 SER CB C 59 62.574 62.574 63.610 -1.036 25600 6285 1 15 . 1 1 59 59 SER H H 59 8.377 8.377 8.578 -0.201 25600 6286 1 15 . 1 1 60 60 ASP N N 60 116.275 116.275 121.739 -5.464 25600 6287 1 15 . 1 1 60 60 ASP HA H 60 4.661 4.661 4.487 0.174 25600 6288 1 15 . 1 1 60 60 ASP CA C 60 52.769 52.769 56.420 -3.651 25600 6289 1 15 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.129 -1.417 25600 6290 1 15 . 1 1 60 60 ASP H H 60 8.311 8.311 8.213 0.098 25600 6291 1 15 . 1 1 61 61 SER N N 61 112.650 112.650 111.160 1.490 25600 6292 1 15 . 1 1 61 61 SER HA H 61 4.630 4.630 4.466 0.164 25600 6293 1 15 . 1 1 61 61 SER CA C 61 56.180 56.180 58.396 -2.216 25600 6294 1 15 . 1 1 61 61 SER CB C 61 61.843 61.843 63.894 -2.050 25600 6295 1 15 . 1 1 61 61 SER H H 61 7.588 7.588 8.353 -0.765 25600 6296 1 15 . 1 1 62 62 HIS N N 62 119.790 119.790 122.433 -2.643 25600 6297 1 15 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.690 -0.643 25600 6298 1 15 . 1 1 62 62 HIS CA C 62 56.919 56.919 56.810 0.109 25600 6299 1 15 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.807 -3.283 25600 6300 1 15 . 1 1 62 62 HIS H H 62 8.029 8.029 8.046 -0.017 25600 6301 1 15 . 1 1 63 63 GLY N N 63 113.301 113.301 109.595 3.706 25600 6302 1 15 . 1 1 63 63 GLY CA C 63 43.653 43.653 43.958 -0.305 25600 6303 1 15 . 1 1 63 63 GLY H H 63 8.733 8.733 7.555 1.178 25600 6304 1 15 . 1 1 64 64 LEU N N 64 120.664 120.664 112.434 8.230 25600 6305 1 15 . 1 1 64 64 LEU HA H 64 4.386 4.386 4.833 -0.447 25600 6306 1 15 . 1 1 64 64 LEU CA C 64 54.893 54.893 54.944 -0.051 25600 6307 1 15 . 1 1 64 64 LEU CB C 64 41.463 41.463 44.352 -2.889 25600 6308 1 15 . 1 1 64 64 LEU H H 64 7.679 7.679 8.595 -0.916 25600 6309 1 15 . 1 1 65 65 ALA N N 65 108.346 108.346 120.198 -11.852 25600 6310 1 15 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.623 0.779 25600 6311 1 15 . 1 1 65 65 ALA CA C 65 49.267 49.267 51.699 -2.432 25600 6312 1 15 . 1 1 65 65 ALA CB C 65 21.555 21.555 21.162 0.393 25600 6313 1 15 . 1 1 65 65 ALA H H 65 9.874 9.874 8.417 1.457 25600 6314 1 15 . 1 1 66 66 SER N N 66 115.951 115.951 120.724 -4.773 25600 6315 1 15 . 1 1 66 66 SER HA H 66 4.909 4.909 5.025 -0.116 25600 6316 1 15 . 1 1 66 66 SER CA C 66 56.645 56.645 56.855 -0.210 25600 6317 1 15 . 1 1 66 66 SER CB C 66 63.823 63.823 64.397 -0.574 25600 6318 1 15 . 1 1 66 66 SER H H 66 8.938 8.938 8.696 0.242 25600 6319 1 15 . 1 1 67 67 THR N N 67 113.596 113.596 119.136 -5.540 25600 6320 1 15 . 1 1 67 67 THR HA H 67 4.649 4.649 5.142 -0.493 25600 6321 1 15 . 1 1 67 67 THR CA C 67 59.216 59.216 60.300 -1.084 25600 6322 1 15 . 1 1 67 67 THR CB C 67 69.006 69.006 70.956 -1.950 25600 6323 1 15 . 1 1 67 67 THR H H 67 8.258 8.258 8.597 -0.339 25600 6324 1 15 . 1 1 68 68 LEU N N 68 124.151 124.151 123.791 0.360 25600 6325 1 15 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.640 -0.284 25600 6326 1 15 . 1 1 68 68 LEU CA C 68 55.112 55.112 55.265 -0.153 25600 6327 1 15 . 1 1 68 68 LEU CB C 68 42.915 42.915 42.359 0.556 25600 6328 1 15 . 1 1 68 68 LEU H H 68 8.616 8.616 8.141 0.475 25600 6329 1 15 . 1 1 69 69 ASN N N 69 115.821 115.821 116.208 -0.387 25600 6330 1 15 . 1 1 69 69 ASN HA H 69 4.644 4.644 5.002 -0.358 25600 6331 1 15 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.811 -0.355 25600 6332 1 15 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.710 1.596 25600 6333 1 15 . 1 1 69 69 ASN H H 69 7.965 7.965 7.760 0.205 25600 6334 1 15 . 1 1 70 70 GLN N N 70 114.564 114.564 115.366 -0.802 25600 6335 1 15 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.669 -0.744 25600 6336 1 15 . 1 1 70 70 GLN CA C 70 55.237 55.237 54.778 0.459 25600 6337 1 15 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.873 0.133 25600 6338 1 15 . 1 1 70 70 GLN H H 70 8.287 8.287 8.545 -0.258 25600 6339 1 15 . 1 1 71 71 GLY N N 71 108.006 108.006 109.424 -1.418 25600 6340 1 15 . 1 1 71 71 GLY CA C 71 43.686 43.686 45.164 -1.478 25600 6341 1 15 . 1 1 71 71 GLY H H 71 8.520 8.520 8.034 0.486 25600 6342 1 15 . 1 1 72 72 ASN N N 72 117.785 117.785 119.268 -1.483 25600 6343 1 15 . 1 1 72 72 ASN HA H 72 5.473 5.473 4.830 0.643 25600 6344 1 15 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.226 -0.535 25600 6345 1 15 . 1 1 72 72 ASN CB C 72 39.896 39.896 41.032 -1.136 25600 6346 1 15 . 1 1 72 72 ASN H H 72 8.420 8.420 8.147 0.273 25600 6347 1 15 . 1 1 73 73 VAL N N 73 115.848 115.848 121.322 -5.474 25600 6348 1 15 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.141 0.390 25600 6349 1 15 . 1 1 73 73 VAL CA C 73 58.975 58.975 60.437 -1.462 25600 6350 1 15 . 1 1 73 73 VAL CB C 73 35.179 35.179 34.694 0.485 25600 6351 1 15 . 1 1 73 73 VAL H H 73 8.990 8.990 8.057 0.933 25600 6352 1 15 . 1 1 74 74 LYS N N 74 123.195 123.195 123.996 -0.801 25600 6353 1 15 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.538 0.618 25600 6354 1 15 . 1 1 74 74 LYS CA C 74 53.881 53.881 55.178 -1.296 25600 6355 1 15 . 1 1 74 74 LYS CB C 74 33.597 33.597 34.548 -0.951 25600 6356 1 15 . 1 1 74 74 LYS H H 74 8.715 8.715 8.292 0.423 25600 6357 1 15 . 1 1 75 75 VAL N N 75 129.522 129.522 128.276 1.246 25600 6358 1 15 . 1 1 75 75 VAL HA H 75 4.542 4.542 5.331 -0.789 25600 6359 1 15 . 1 1 75 75 VAL CA C 75 60.816 60.816 59.921 0.895 25600 6360 1 15 . 1 1 75 75 VAL CB C 75 32.483 32.483 36.627 -4.144 25600 6361 1 15 . 1 1 75 75 VAL H H 75 8.975 8.975 9.215 -0.240 25600 6362 1 15 . 1 1 76 76 THR N N 76 120.548 120.548 125.285 -4.737 25600 6363 1 15 . 1 1 76 76 THR HA H 76 5.066 5.066 4.728 0.338 25600 6364 1 15 . 1 1 76 76 THR CA C 76 59.783 59.783 60.732 -0.949 25600 6365 1 15 . 1 1 76 76 THR CB C 76 70.733 70.733 71.134 -0.401 25600 6366 1 15 . 1 1 76 76 THR H H 76 8.650 8.650 8.601 0.049 25600 6367 1 15 . 1 1 77 77 ALA N N 77 126.454 126.454 127.737 -1.283 25600 6368 1 15 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.625 -1.245 25600 6369 1 15 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.171 -1.741 25600 6370 1 15 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.284 -1.740 25600 6371 1 15 . 1 1 77 77 ALA H H 77 8.674 8.674 8.298 0.376 25600 6372 1 15 . 1 1 78 78 SER N N 78 113.568 113.568 117.433 -3.865 25600 6373 1 15 . 1 1 78 78 SER HA H 78 5.376 5.376 4.829 0.547 25600 6374 1 15 . 1 1 78 78 SER CA C 78 56.077 56.077 57.164 -1.087 25600 6375 1 15 . 1 1 78 78 SER CB C 78 65.730 65.730 65.886 -0.156 25600 6376 1 15 . 1 1 78 78 SER H H 78 8.117 8.117 8.336 -0.219 25600 6377 1 15 . 1 1 79 79 ILE N N 79 121.071 121.071 123.503 -2.432 25600 6378 1 15 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.458 -0.317 25600 6379 1 15 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.491 0.633 25600 6380 1 15 . 1 1 79 79 ILE CB C 79 38.809 38.809 41.347 -2.538 25600 6381 1 15 . 1 1 79 79 ILE H H 79 8.446 8.446 7.834 0.612 25600 6382 1 15 . 1 1 80 80 GLY N N 80 117.157 117.157 116.668 0.489 25600 6383 1 15 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.625 -0.619 25600 6384 1 15 . 1 1 80 80 GLY H H 80 8.899 8.899 8.914 -0.015 25600 6385 1 15 . 1 1 81 81 GLY N N 81 110.716 110.716 110.250 0.466 25600 6386 1 15 . 1 1 81 81 GLY CA C 81 44.378 44.378 45.004 -0.626 25600 6387 1 15 . 1 1 81 81 GLY H H 81 8.742 8.742 8.057 0.685 25600 6388 1 15 . 1 1 82 82 ILE N N 82 124.112 124.112 121.969 2.143 25600 6389 1 15 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.306 -0.106 25600 6390 1 15 . 1 1 82 82 ILE CA C 82 59.033 59.033 59.731 -0.698 25600 6391 1 15 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.671 -1.894 25600 6392 1 15 . 1 1 82 82 ILE H H 82 8.188 8.188 7.976 0.212 25600 6393 1 15 . 1 1 83 83 GLN N N 83 122.453 122.453 121.200 1.253 25600 6394 1 15 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.577 0.818 25600 6395 1 15 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.565 -1.545 25600 6396 1 15 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.402 0.113 25600 6397 1 15 . 1 1 83 83 GLN H H 83 8.423 8.423 8.218 0.205 25600 6398 1 15 . 1 1 84 84 GLY N N 84 111.437 111.437 107.359 4.078 25600 6399 1 15 . 1 1 84 84 GLY CA C 84 43.698 43.698 43.553 0.145 25600 6400 1 15 . 1 1 84 84 GLY H H 84 8.931 8.931 8.963 -0.032 25600 6401 1 15 . 1 1 85 85 SER N N 85 113.877 113.877 114.288 -0.411 25600 6402 1 15 . 1 1 85 85 SER HA H 85 5.841 5.841 4.817 1.024 25600 6403 1 15 . 1 1 85 85 SER CA C 85 56.264 56.264 57.433 -1.169 25600 6404 1 15 . 1 1 85 85 SER CB C 85 66.946 66.946 66.322 0.624 25600 6405 1 15 . 1 1 85 85 SER H H 85 8.710 8.710 8.188 0.522 25600 6406 1 15 . 1 1 86 86 THR N N 86 115.389 115.389 119.329 -3.940 25600 6407 1 15 . 1 1 86 86 THR HA H 86 4.772 4.772 5.014 -0.242 25600 6408 1 15 . 1 1 86 86 THR CA C 86 60.313 60.313 61.802 -1.489 25600 6409 1 15 . 1 1 86 86 THR CB C 86 69.953 69.953 72.162 -2.209 25600 6410 1 15 . 1 1 86 86 THR H H 86 8.854 8.854 9.209 -0.355 25600 6411 1 15 . 1 1 87 87 ASP N N 87 124.623 124.623 126.382 -1.759 25600 6412 1 15 . 1 1 87 87 ASP HA H 87 5.436 5.436 5.117 0.319 25600 6413 1 15 . 1 1 87 87 ASP CA C 87 53.796 53.796 52.784 1.012 25600 6414 1 15 . 1 1 87 87 ASP CB C 87 42.010 42.010 43.965 -1.955 25600 6415 1 15 . 1 1 87 87 ASP H H 87 7.953 7.953 8.903 -0.950 25600 6416 1 15 . 1 1 88 88 PHE N N 88 123.577 123.577 121.198 2.379 25600 6417 1 15 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.605 -0.674 25600 6418 1 15 . 1 1 88 88 PHE CA C 88 56.968 56.968 54.976 1.992 25600 6419 1 15 . 1 1 88 88 PHE CB C 88 42.884 42.884 41.786 1.098 25600 6420 1 15 . 1 1 88 88 PHE H H 88 9.094 9.094 7.719 1.375 25600 6421 1 15 . 1 1 89 89 LYS N N 89 126.965 126.965 124.910 2.055 25600 6422 1 15 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.707 0.331 25600 6423 1 15 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.300 -1.411 25600 6424 1 15 . 1 1 89 89 LYS CB C 89 34.669 34.669 34.508 0.161 25600 6425 1 15 . 1 1 89 89 LYS H H 89 7.269 7.269 8.250 -0.981 25600 6426 1 15 . 1 1 90 90 VAL N N 90 126.148 126.148 130.138 -3.990 25600 6427 1 15 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.207 -0.196 25600 6428 1 15 . 1 1 90 90 VAL CA C 90 59.547 59.547 60.766 -1.218 25600 6429 1 15 . 1 1 90 90 VAL CB C 90 30.948 30.948 32.287 -1.339 25600 6430 1 15 . 1 1 90 90 VAL H H 90 9.086 9.086 8.713 0.373 25600 6431 1 15 . 1 1 91 91 THR N N 91 120.506 120.506 119.118 1.388 25600 6432 1 15 . 1 1 91 91 THR HA H 91 4.568 4.568 4.672 -0.104 25600 6433 1 15 . 1 1 91 91 THR CA C 91 59.348 59.348 59.818 -0.470 25600 6434 1 15 . 1 1 91 91 THR CB C 91 68.970 68.970 71.231 -2.261 25600 6435 1 15 . 1 1 91 91 THR H H 91 8.757 8.757 7.850 0.907 25600 6436 1 16 . 1 1 2 2 PRO HA H 2 4.277 4.277 4.587 -0.310 25600 6437 1 16 . 1 1 2 2 PRO CA C 2 61.221 61.221 63.292 -2.071 25600 6438 1 16 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.312 -0.896 25600 6439 1 16 . 1 1 3 3 ALA N N 3 123.804 123.804 122.526 1.278 25600 6440 1 16 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.130 0.076 25600 6441 1 16 . 1 1 3 3 ALA CA C 3 51.395 51.395 52.390 -0.995 25600 6442 1 16 . 1 1 3 3 ALA CB C 3 18.840 18.840 18.806 0.034 25600 6443 1 16 . 1 1 3 3 ALA H H 3 8.647 8.647 8.289 0.358 25600 6444 1 16 . 1 1 4 4 ALA N N 4 124.059 124.059 124.992 -0.933 25600 6445 1 16 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.664 0.045 25600 6446 1 16 . 1 1 4 4 ALA CA C 4 50.022 50.022 51.177 -1.155 25600 6447 1 16 . 1 1 4 4 ALA CB C 4 19.897 19.897 20.649 -0.752 25600 6448 1 16 . 1 1 4 4 ALA H H 4 8.239 8.239 8.267 -0.028 25600 6449 1 16 . 1 1 5 5 LEU N N 5 124.019 124.019 120.781 3.238 25600 6450 1 16 . 1 1 5 5 LEU HA H 5 3.372 3.372 3.683 -0.311 25600 6451 1 16 . 1 1 5 5 LEU CA C 5 55.008 55.008 55.558 -0.550 25600 6452 1 16 . 1 1 5 5 LEU CB C 5 41.242 41.242 42.006 -0.764 25600 6453 1 16 . 1 1 5 5 LEU H H 5 8.560 8.560 8.528 0.032 25600 6454 1 16 . 1 1 6 6 VAL N N 6 123.356 123.356 122.145 1.211 25600 6455 1 16 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.315 -0.218 25600 6456 1 16 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.409 -0.069 25600 6457 1 16 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.888 -0.940 25600 6458 1 16 . 1 1 6 6 VAL H H 6 9.119 9.119 7.681 1.438 25600 6459 1 16 . 1 1 7 7 SER N N 7 112.134 112.134 112.628 -0.494 25600 6460 1 16 . 1 1 7 7 SER HA H 7 4.445 4.445 4.701 -0.256 25600 6461 1 16 . 1 1 7 7 SER CA C 7 56.349 56.349 57.425 -1.076 25600 6462 1 16 . 1 1 7 7 SER CB C 7 64.361 64.361 65.901 -1.540 25600 6463 1 16 . 1 1 7 7 SER H H 7 7.680 7.680 7.560 0.120 25600 6464 1 16 . 1 1 8 8 ILE N N 8 118.674 118.674 116.528 2.146 25600 6465 1 16 . 1 1 8 8 ILE HA H 8 4.673 4.673 4.832 -0.160 25600 6466 1 16 . 1 1 8 8 ILE CA C 8 59.146 59.146 60.056 -0.910 25600 6467 1 16 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.422 -0.748 25600 6468 1 16 . 1 1 8 8 ILE H H 8 8.354 8.354 8.187 0.167 25600 6469 1 16 . 1 1 9 9 SER N N 9 121.318 121.318 120.482 0.836 25600 6470 1 16 . 1 1 9 9 SER HA H 9 4.863 4.863 4.897 -0.034 25600 6471 1 16 . 1 1 9 9 SER CA C 9 55.381 55.381 57.303 -1.922 25600 6472 1 16 . 1 1 9 9 SER CB C 9 64.243 64.243 64.063 0.180 25600 6473 1 16 . 1 1 9 9 SER H H 9 9.028 9.028 8.814 0.214 25600 6474 1 16 . 1 1 10 10 VAL N N 10 127.509 127.509 122.151 5.358 25600 6475 1 16 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.666 0.384 25600 6476 1 16 . 1 1 10 10 VAL CA C 10 60.912 60.912 59.746 1.166 25600 6477 1 16 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.992 -0.605 25600 6478 1 16 . 1 1 10 10 VAL H H 10 8.911 8.911 8.508 0.403 25600 6479 1 16 . 1 1 11 11 SER N N 11 121.861 121.861 121.060 0.801 25600 6480 1 16 . 1 1 11 11 SER CB C 11 64.373 64.373 63.042 1.331 25600 6481 1 16 . 1 1 11 11 SER H H 11 9.205 9.205 8.266 0.939 25600 6482 1 16 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.865 -0.161 25600 6483 1 16 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.839 -1.940 25600 6484 1 16 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.464 1.625 25600 6485 1 16 . 1 1 13 13 THR N N 13 116.138 116.138 117.255 -1.117 25600 6486 1 16 . 1 1 13 13 THR HA H 13 4.770 4.770 4.599 0.171 25600 6487 1 16 . 1 1 13 13 THR CA C 13 60.153 60.153 61.115 -0.962 25600 6488 1 16 . 1 1 13 13 THR CB C 13 69.426 69.426 70.027 -0.601 25600 6489 1 16 . 1 1 13 13 THR H H 13 8.679 8.679 8.455 0.224 25600 6490 1 16 . 1 1 14 14 ASN N N 14 124.457 124.457 124.559 -0.102 25600 6491 1 16 . 1 1 14 14 ASN HA H 14 4.695 4.695 5.443 -0.748 25600 6492 1 16 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.445 0.683 25600 6493 1 16 . 1 1 14 14 ASN CB C 14 36.593 36.593 39.816 -3.223 25600 6494 1 16 . 1 1 14 14 ASN H H 14 8.710 8.710 8.758 -0.048 25600 6495 1 16 . 1 1 15 15 SER N N 15 113.673 113.673 116.905 -3.232 25600 6496 1 16 . 1 1 15 15 SER HA H 15 4.648 4.648 4.560 0.088 25600 6497 1 16 . 1 1 15 15 SER CA C 15 55.644 55.644 58.071 -2.427 25600 6498 1 16 . 1 1 15 15 SER CB C 15 63.953 63.953 64.628 -0.675 25600 6499 1 16 . 1 1 15 15 SER H H 15 9.127 9.127 8.194 0.933 25600 6500 1 16 . 1 1 16 16 THR N N 16 113.579 113.579 114.777 -1.198 25600 6501 1 16 . 1 1 16 16 THR HA H 16 4.976 4.976 5.207 -0.231 25600 6502 1 16 . 1 1 16 16 THR CA C 16 58.445 58.445 60.383 -1.938 25600 6503 1 16 . 1 1 16 16 THR CB C 16 70.534 70.534 69.912 0.622 25600 6504 1 16 . 1 1 16 16 THR H H 16 7.962 7.962 8.072 -0.110 25600 6505 1 16 . 1 1 17 17 VAL N N 17 121.479 121.479 117.680 3.799 25600 6506 1 16 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.437 -0.117 25600 6507 1 16 . 1 1 17 17 VAL CA C 17 59.937 59.937 60.092 -0.155 25600 6508 1 16 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.268 0.136 25600 6509 1 16 . 1 1 17 17 VAL H H 17 7.969 7.969 8.103 -0.134 25600 6510 1 16 . 1 1 18 18 ALA N N 18 126.014 126.014 125.265 0.749 25600 6511 1 16 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.385 -0.210 25600 6512 1 16 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.557 -0.594 25600 6513 1 16 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.485 -0.563 25600 6514 1 16 . 1 1 18 18 ALA H H 18 7.756 7.756 8.231 -0.475 25600 6515 1 16 . 1 1 19 19 LYS N N 19 119.741 119.741 120.919 -1.178 25600 6516 1 16 . 1 1 19 19 LYS HA H 19 3.487 3.487 3.980 -0.493 25600 6517 1 16 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.736 0.036 25600 6518 1 16 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.880 -1.278 25600 6519 1 16 . 1 1 19 19 LYS H H 19 7.893 7.893 8.443 -0.550 25600 6520 1 16 . 1 1 20 20 GLY N N 20 116.709 116.709 114.577 2.132 25600 6521 1 16 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.270 -1.507 25600 6522 1 16 . 1 1 20 20 GLY H H 20 8.615 8.615 8.620 -0.005 25600 6523 1 16 . 1 1 21 21 LEU N N 21 123.004 123.004 124.249 -1.245 25600 6524 1 16 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.617 -0.029 25600 6525 1 16 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.473 -1.108 25600 6526 1 16 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.087 -5.125 25600 6527 1 16 . 1 1 21 21 LEU H H 21 8.013 8.013 7.984 0.029 25600 6528 1 16 . 1 1 22 22 GLN N N 22 117.504 117.504 120.062 -2.558 25600 6529 1 16 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.322 -0.194 25600 6530 1 16 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.136 -0.467 25600 6531 1 16 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.591 -0.677 25600 6532 1 16 . 1 1 22 22 GLN H H 22 8.223 8.223 8.368 -0.145 25600 6533 1 16 . 1 1 23 23 GLU N N 23 118.125 118.125 122.260 -4.135 25600 6534 1 16 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.662 -0.099 25600 6535 1 16 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.376 -2.509 25600 6536 1 16 . 1 1 23 23 GLU CB C 23 32.874 32.874 32.893 -0.019 25600 6537 1 16 . 1 1 23 23 GLU H H 23 8.188 8.188 8.656 -0.468 25600 6538 1 16 . 1 1 24 24 ASN N N 24 125.841 125.841 122.647 3.194 25600 6539 1 16 . 1 1 24 24 ASN HA H 24 4.778 4.778 4.767 0.011 25600 6540 1 16 . 1 1 24 24 ASN CA C 24 52.511 52.511 52.994 -0.483 25600 6541 1 16 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.259 0.487 25600 6542 1 16 . 1 1 24 24 ASN H H 24 9.391 9.391 8.616 0.775 25600 6543 1 16 . 1 1 25 25 PHE N N 25 122.823 122.823 123.203 -0.380 25600 6544 1 16 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.732 -0.081 25600 6545 1 16 . 1 1 25 25 PHE CA C 25 57.123 57.123 57.105 0.018 25600 6546 1 16 . 1 1 25 25 PHE CB C 25 39.059 39.059 42.339 -3.280 25600 6547 1 16 . 1 1 25 25 PHE H H 25 8.062 8.062 7.758 0.304 25600 6548 1 16 . 1 1 26 26 LYS N N 26 119.114 119.114 123.945 -4.831 25600 6549 1 16 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.131 1.113 25600 6550 1 16 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.031 -2.055 25600 6551 1 16 . 1 1 26 26 LYS CB C 26 34.661 34.661 34.989 -0.328 25600 6552 1 16 . 1 1 26 26 LYS H H 26 9.255 9.255 7.749 1.506 25600 6553 1 16 . 1 1 27 27 ALA N N 27 125.586 125.586 127.521 -1.935 25600 6554 1 16 . 1 1 27 27 ALA HA H 27 5.262 5.262 4.532 0.730 25600 6555 1 16 . 1 1 27 27 ALA CA C 27 48.817 48.817 50.833 -2.016 25600 6556 1 16 . 1 1 27 27 ALA CB C 27 21.160 21.160 21.563 -0.403 25600 6557 1 16 . 1 1 27 27 ALA H H 27 9.120 9.120 8.369 0.751 25600 6558 1 16 . 1 1 28 28 THR N N 28 120.627 120.627 116.645 3.982 25600 6559 1 16 . 1 1 28 28 THR HA H 28 4.837 4.837 5.009 -0.172 25600 6560 1 16 . 1 1 28 28 THR CA C 28 60.566 60.566 59.906 0.660 25600 6561 1 16 . 1 1 28 28 THR CB C 28 69.478 69.478 70.688 -1.210 25600 6562 1 16 . 1 1 28 28 THR H H 28 9.062 9.062 8.230 0.832 25600 6563 1 16 . 1 1 29 29 GLY N N 29 115.788 115.788 113.894 1.894 25600 6564 1 16 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.800 0.516 25600 6565 1 16 . 1 1 29 29 GLY H H 29 9.663 9.663 9.359 0.304 25600 6566 1 16 . 1 1 30 30 ILE N N 30 123.085 123.085 124.789 -1.704 25600 6567 1 16 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.628 0.150 25600 6568 1 16 . 1 1 30 30 ILE CA C 30 59.388 59.388 60.245 -0.857 25600 6569 1 16 . 1 1 30 30 ILE CB C 30 36.883 36.883 41.025 -4.142 25600 6570 1 16 . 1 1 30 30 ILE H H 30 7.914 7.914 8.858 -0.944 25600 6571 1 16 . 1 1 31 31 PHE N N 31 125.209 125.209 124.359 0.850 25600 6572 1 16 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.071 0.299 25600 6573 1 16 . 1 1 31 31 PHE CA C 31 56.487 56.487 56.605 -0.118 25600 6574 1 16 . 1 1 31 31 PHE CB C 31 41.153 41.153 43.379 -2.226 25600 6575 1 16 . 1 1 31 31 PHE H H 31 8.316 8.316 8.697 -0.381 25600 6576 1 16 . 1 1 32 32 THR N N 32 113.843 113.843 116.500 -2.657 25600 6577 1 16 . 1 1 32 32 THR HA H 32 4.404 4.404 4.093 0.311 25600 6578 1 16 . 1 1 32 32 THR CA C 32 64.157 64.157 65.901 -1.744 25600 6579 1 16 . 1 1 32 32 THR CB C 32 68.540 68.540 68.742 -0.202 25600 6580 1 16 . 1 1 32 32 THR H H 32 9.335 9.335 8.996 0.339 25600 6581 1 16 . 1 1 33 33 ASP N N 33 118.800 118.800 121.232 -2.432 25600 6582 1 16 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.686 -0.065 25600 6583 1 16 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.521 -1.558 25600 6584 1 16 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.417 -1.923 25600 6585 1 16 . 1 1 33 33 ASP H H 33 7.689 7.689 8.174 -0.485 25600 6586 1 16 . 1 1 34 34 ASN N N 34 112.995 112.995 114.689 -1.694 25600 6587 1 16 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.362 -0.014 25600 6588 1 16 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.726 -0.380 25600 6589 1 16 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.535 -0.044 25600 6590 1 16 . 1 1 34 34 ASN H H 34 8.370 8.370 7.918 0.452 25600 6591 1 16 . 1 1 35 35 SER N N 35 115.545 115.545 114.792 0.753 25600 6592 1 16 . 1 1 35 35 SER HA H 35 4.413 4.413 4.622 -0.209 25600 6593 1 16 . 1 1 35 35 SER CA C 35 57.882 57.882 57.691 0.191 25600 6594 1 16 . 1 1 35 35 SER CB C 35 63.770 63.770 64.468 -0.698 25600 6595 1 16 . 1 1 35 35 SER H H 35 7.990 7.990 8.125 -0.135 25600 6596 1 16 . 1 1 36 36 ASN N N 36 116.053 116.053 122.596 -6.543 25600 6597 1 16 . 1 1 36 36 ASN HA H 36 2.890 2.890 5.335 -2.445 25600 6598 1 16 . 1 1 36 36 ASN CA C 36 50.674 50.674 53.093 -2.419 25600 6599 1 16 . 1 1 36 36 ASN CB C 36 41.799 41.799 39.929 1.870 25600 6600 1 16 . 1 1 36 36 ASN H H 36 8.518 8.518 8.493 0.025 25600 6601 1 16 . 1 1 37 37 SER N N 37 113.191 113.191 116.620 -3.429 25600 6602 1 16 . 1 1 37 37 SER HA H 37 4.715 4.715 4.832 -0.117 25600 6603 1 16 . 1 1 37 37 SER CA C 37 56.801 56.801 57.105 -0.304 25600 6604 1 16 . 1 1 37 37 SER CB C 37 64.872 64.872 66.080 -1.208 25600 6605 1 16 . 1 1 37 37 SER H H 37 8.667 8.667 8.804 -0.137 25600 6606 1 16 . 1 1 38 38 ASP N N 38 123.962 123.962 120.610 3.352 25600 6607 1 16 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.919 0.068 25600 6608 1 16 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.718 0.483 25600 6609 1 16 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.926 -1.997 25600 6610 1 16 . 1 1 38 38 ASP H H 38 8.848 8.848 8.531 0.317 25600 6611 1 16 . 1 1 39 39 ILE N N 39 121.216 121.216 122.645 -1.429 25600 6612 1 16 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.750 1.121 25600 6613 1 16 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.399 -2.692 25600 6614 1 16 . 1 1 39 39 ILE CB C 39 37.086 37.086 37.516 -0.430 25600 6615 1 16 . 1 1 39 39 ILE H H 39 8.815 8.815 8.916 -0.101 25600 6616 1 16 . 1 1 40 40 THR N N 40 122.867 122.867 114.711 8.156 25600 6617 1 16 . 1 1 40 40 THR HA H 40 4.288 4.288 4.130 0.158 25600 6618 1 16 . 1 1 40 40 THR CB C 40 68.527 68.527 68.743 -0.216 25600 6619 1 16 . 1 1 40 40 THR H H 40 8.679 8.679 7.991 0.688 25600 6620 1 16 . 1 1 41 41 ASP N N 41 114.081 114.081 119.204 -5.123 25600 6621 1 16 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.828 -1.130 25600 6622 1 16 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.120 -0.642 25600 6623 1 16 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.807 -2.089 25600 6624 1 16 . 1 1 41 41 ASP H H 41 8.539 8.539 8.531 0.008 25600 6625 1 16 . 1 1 42 42 GLN N N 42 117.087 117.087 117.601 -0.514 25600 6626 1 16 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.086 0.065 25600 6627 1 16 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.089 -0.553 25600 6628 1 16 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.075 3.141 25600 6629 1 16 . 1 1 42 42 GLN H H 42 7.718 7.718 7.355 0.363 25600 6630 1 16 . 1 1 43 43 VAL N N 43 109.916 109.916 122.483 -12.567 25600 6631 1 16 . 1 1 43 43 VAL HA H 43 4.089 4.089 4.338 -0.249 25600 6632 1 16 . 1 1 43 43 VAL CA C 43 58.840 58.840 62.555 -3.715 25600 6633 1 16 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.807 -1.534 25600 6634 1 16 . 1 1 43 43 VAL H H 43 6.902 6.902 8.239 -1.337 25600 6635 1 16 . 1 1 44 44 THR N N 44 116.272 116.272 125.199 -8.927 25600 6636 1 16 . 1 1 44 44 THR HA H 44 4.315 4.315 4.585 -0.270 25600 6637 1 16 . 1 1 44 44 THR CA C 44 61.651 61.651 62.592 -0.941 25600 6638 1 16 . 1 1 44 44 THR CB C 44 68.890 68.890 69.091 -0.201 25600 6639 1 16 . 1 1 44 44 THR H H 44 8.787 8.787 8.732 0.055 25600 6640 1 16 . 1 1 45 45 TRP N N 45 132.098 132.098 125.157 6.941 25600 6641 1 16 . 1 1 45 45 TRP HA H 45 5.245 5.245 5.205 0.040 25600 6642 1 16 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.786 0.601 25600 6643 1 16 . 1 1 45 45 TRP CB C 45 30.077 30.077 30.532 -0.455 25600 6644 1 16 . 1 1 45 45 TRP H H 45 10.351 10.351 8.305 2.046 25600 6645 1 16 . 1 1 46 46 ASP N N 46 121.897 121.897 120.896 1.001 25600 6646 1 16 . 1 1 46 46 ASP HA H 46 4.857 4.857 4.961 -0.104 25600 6647 1 16 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.791 -0.994 25600 6648 1 16 . 1 1 46 46 ASP CB C 46 45.075 45.075 44.855 0.220 25600 6649 1 16 . 1 1 46 46 ASP H H 46 9.471 9.471 8.259 1.212 25600 6650 1 16 . 1 1 47 47 SER N N 47 113.805 113.805 119.011 -5.206 25600 6651 1 16 . 1 1 47 47 SER HA H 47 5.043 5.043 4.865 0.178 25600 6652 1 16 . 1 1 47 47 SER CA C 47 53.059 53.059 56.897 -3.838 25600 6653 1 16 . 1 1 47 47 SER CB C 47 64.880 64.880 64.780 0.100 25600 6654 1 16 . 1 1 47 47 SER H H 47 8.502 8.502 8.509 -0.007 25600 6655 1 16 . 1 1 48 48 SER N N 48 119.614 119.614 121.857 -2.243 25600 6656 1 16 . 1 1 48 48 SER HA H 48 4.264 4.264 4.297 -0.033 25600 6657 1 16 . 1 1 48 48 SER CA C 48 59.404 59.404 59.963 -0.559 25600 6658 1 16 . 1 1 48 48 SER CB C 48 62.026 62.026 63.625 -1.599 25600 6659 1 16 . 1 1 48 48 SER H H 48 8.517 8.517 8.628 -0.111 25600 6660 1 16 . 1 1 49 49 ASN N N 49 118.260 118.260 119.137 -0.877 25600 6661 1 16 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.493 0.405 25600 6662 1 16 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.159 -1.318 25600 6663 1 16 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.420 -0.700 25600 6664 1 16 . 1 1 49 49 ASN H H 49 7.816 7.816 8.203 -0.387 25600 6665 1 16 . 1 1 50 50 THR N N 50 119.288 119.288 117.066 2.222 25600 6666 1 16 . 1 1 50 50 THR HA H 50 4.541 4.541 4.499 0.042 25600 6667 1 16 . 1 1 50 50 THR CA C 50 62.137 62.137 62.941 -0.804 25600 6668 1 16 . 1 1 50 50 THR CB C 50 67.100 67.100 70.261 -3.161 25600 6669 1 16 . 1 1 50 50 THR H H 50 9.049 9.049 8.471 0.578 25600 6670 1 16 . 1 1 51 51 ASP N N 51 118.825 118.825 120.725 -1.900 25600 6671 1 16 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.826 -0.240 25600 6672 1 16 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.846 -0.156 25600 6673 1 16 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.746 -3.088 25600 6674 1 16 . 1 1 51 51 ASP H H 51 8.251 8.251 8.395 -0.144 25600 6675 1 16 . 1 1 52 52 ILE N N 52 118.411 118.411 121.216 -2.805 25600 6676 1 16 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.344 -0.419 25600 6677 1 16 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.294 0.387 25600 6678 1 16 . 1 1 52 52 ILE CB C 52 38.896 38.896 38.529 0.367 25600 6679 1 16 . 1 1 52 52 ILE H H 52 7.169 7.169 8.176 -1.007 25600 6680 1 16 . 1 1 53 53 LEU N N 53 120.126 120.126 121.750 -1.624 25600 6681 1 16 . 1 1 53 53 LEU HA H 53 5.021 5.021 5.209 -0.188 25600 6682 1 16 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.280 0.001 25600 6683 1 16 . 1 1 53 53 LEU CB C 53 46.405 46.405 44.355 2.050 25600 6684 1 16 . 1 1 53 53 LEU H H 53 7.876 7.876 7.804 0.072 25600 6685 1 16 . 1 1 54 54 SER N N 54 122.252 122.252 117.842 4.410 25600 6686 1 16 . 1 1 54 54 SER HA H 54 4.959 4.959 4.850 0.109 25600 6687 1 16 . 1 1 54 54 SER CA C 54 54.724 54.724 57.304 -2.580 25600 6688 1 16 . 1 1 54 54 SER CB C 54 64.417 64.417 65.757 -1.340 25600 6689 1 16 . 1 1 54 54 SER H H 54 8.650 8.650 8.483 0.167 25600 6690 1 16 . 1 1 55 55 ILE N N 55 123.973 123.973 124.900 -0.927 25600 6691 1 16 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.091 0.810 25600 6692 1 16 . 1 1 55 55 ILE CA C 55 58.868 58.868 60.307 -1.439 25600 6693 1 16 . 1 1 55 55 ILE CB C 55 41.418 41.418 39.756 1.662 25600 6694 1 16 . 1 1 55 55 ILE H H 55 9.081 9.081 8.455 0.626 25600 6695 1 16 . 1 1 56 56 SER N N 56 119.540 119.540 122.140 -2.600 25600 6696 1 16 . 1 1 56 56 SER HA H 56 4.387 4.387 4.086 0.301 25600 6697 1 16 . 1 1 56 56 SER CA C 56 56.626 56.626 56.420 0.206 25600 6698 1 16 . 1 1 56 56 SER CB C 56 63.106 63.106 64.130 -1.024 25600 6699 1 16 . 1 1 56 56 SER H H 56 7.905 7.905 8.086 -0.181 25600 6700 1 16 . 1 1 57 57 ASN N N 57 124.207 124.207 123.433 0.774 25600 6701 1 16 . 1 1 57 57 ASN HA H 57 5.019 5.019 4.580 0.439 25600 6702 1 16 . 1 1 57 57 ASN CA C 57 52.469 52.469 54.106 -1.637 25600 6703 1 16 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.237 0.853 25600 6704 1 16 . 1 1 57 57 ASN H H 57 8.945 8.945 8.571 0.374 25600 6705 1 16 . 1 1 58 58 ALA N N 58 124.301 124.301 122.065 2.236 25600 6706 1 16 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.140 -0.007 25600 6707 1 16 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.328 -1.041 25600 6708 1 16 . 1 1 58 58 ALA CB C 58 18.354 18.354 18.681 -0.327 25600 6709 1 16 . 1 1 58 58 ALA H H 58 8.150 8.150 7.563 0.587 25600 6710 1 16 . 1 1 59 59 SER N N 59 113.299 113.299 115.881 -2.582 25600 6711 1 16 . 1 1 59 59 SER HA H 59 4.698 4.698 4.315 0.383 25600 6712 1 16 . 1 1 59 59 SER CA C 59 60.003 60.003 59.465 0.538 25600 6713 1 16 . 1 1 59 59 SER CB C 59 62.574 62.574 63.643 -1.069 25600 6714 1 16 . 1 1 59 59 SER H H 59 8.377 8.377 8.608 -0.231 25600 6715 1 16 . 1 1 60 60 ASP N N 60 116.275 116.275 121.306 -5.031 25600 6716 1 16 . 1 1 60 60 ASP HA H 60 4.661 4.661 4.490 0.171 25600 6717 1 16 . 1 1 60 60 ASP CA C 60 52.769 52.769 56.583 -3.814 25600 6718 1 16 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.379 -1.667 25600 6719 1 16 . 1 1 60 60 ASP H H 60 8.311 8.311 8.501 -0.190 25600 6720 1 16 . 1 1 61 61 SER N N 61 112.650 112.650 109.413 3.237 25600 6721 1 16 . 1 1 61 61 SER HA H 61 4.630 4.630 4.431 0.199 25600 6722 1 16 . 1 1 61 61 SER CA C 61 56.180 56.180 58.699 -2.519 25600 6723 1 16 . 1 1 61 61 SER CB C 61 61.843 61.843 64.070 -2.227 25600 6724 1 16 . 1 1 61 61 SER H H 61 7.588 7.588 8.484 -0.896 25600 6725 1 16 . 1 1 62 62 HIS N N 62 119.790 119.790 123.689 -3.899 25600 6726 1 16 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.637 -0.590 25600 6727 1 16 . 1 1 62 62 HIS CA C 62 56.919 56.919 56.538 0.381 25600 6728 1 16 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.889 -3.365 25600 6729 1 16 . 1 1 62 62 HIS H H 62 8.029 8.029 8.007 0.022 25600 6730 1 16 . 1 1 63 63 GLY N N 63 113.301 113.301 109.454 3.847 25600 6731 1 16 . 1 1 63 63 GLY CA C 63 43.653 43.653 43.882 -0.229 25600 6732 1 16 . 1 1 63 63 GLY H H 63 8.733 8.733 8.197 0.536 25600 6733 1 16 . 1 1 64 64 LEU N N 64 120.664 120.664 112.478 8.186 25600 6734 1 16 . 1 1 64 64 LEU HA H 64 4.386 4.386 4.869 -0.483 25600 6735 1 16 . 1 1 64 64 LEU CA C 64 54.893 54.893 55.068 -0.175 25600 6736 1 16 . 1 1 64 64 LEU CB C 64 41.463 41.463 44.932 -3.469 25600 6737 1 16 . 1 1 64 64 LEU H H 64 7.679 7.679 7.519 0.160 25600 6738 1 16 . 1 1 65 65 ALA N N 65 108.346 108.346 119.110 -10.764 25600 6739 1 16 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.695 0.707 25600 6740 1 16 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.592 -1.325 25600 6741 1 16 . 1 1 65 65 ALA CB C 65 21.555 21.555 22.332 -0.777 25600 6742 1 16 . 1 1 65 65 ALA H H 65 9.874 9.874 8.238 1.636 25600 6743 1 16 . 1 1 66 66 SER N N 66 115.951 115.951 114.181 1.770 25600 6744 1 16 . 1 1 66 66 SER HA H 66 4.909 4.909 5.703 -0.794 25600 6745 1 16 . 1 1 66 66 SER CA C 66 56.645 56.645 56.997 -0.352 25600 6746 1 16 . 1 1 66 66 SER CB C 66 63.823 63.823 66.450 -2.627 25600 6747 1 16 . 1 1 66 66 SER H H 66 8.938 8.938 8.484 0.454 25600 6748 1 16 . 1 1 67 67 THR N N 67 113.596 113.596 116.396 -2.800 25600 6749 1 16 . 1 1 67 67 THR HA H 67 4.649 4.649 4.861 -0.212 25600 6750 1 16 . 1 1 67 67 THR CA C 67 59.216 59.216 62.114 -2.898 25600 6751 1 16 . 1 1 67 67 THR CB C 67 69.006 69.006 70.789 -1.783 25600 6752 1 16 . 1 1 67 67 THR H H 67 8.258 8.258 8.212 0.046 25600 6753 1 16 . 1 1 68 68 LEU N N 68 124.151 124.151 120.997 3.154 25600 6754 1 16 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.843 -0.487 25600 6755 1 16 . 1 1 68 68 LEU CA C 68 55.112 55.112 55.006 0.106 25600 6756 1 16 . 1 1 68 68 LEU CB C 68 42.915 42.915 41.956 0.959 25600 6757 1 16 . 1 1 68 68 LEU H H 68 8.616 8.616 8.114 0.502 25600 6758 1 16 . 1 1 69 69 ASN N N 69 115.821 115.821 119.250 -3.429 25600 6759 1 16 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.898 -0.254 25600 6760 1 16 . 1 1 69 69 ASN CA C 69 51.456 51.456 52.241 -0.785 25600 6761 1 16 . 1 1 69 69 ASN CB C 69 42.306 42.306 42.114 0.192 25600 6762 1 16 . 1 1 69 69 ASN H H 69 7.965 7.965 8.200 -0.235 25600 6763 1 16 . 1 1 70 70 GLN N N 70 114.564 114.564 118.402 -3.838 25600 6764 1 16 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.696 -0.771 25600 6765 1 16 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.651 -0.414 25600 6766 1 16 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.673 0.333 25600 6767 1 16 . 1 1 70 70 GLN H H 70 8.287 8.287 8.699 -0.412 25600 6768 1 16 . 1 1 71 71 GLY N N 71 108.006 108.006 108.112 -0.106 25600 6769 1 16 . 1 1 71 71 GLY CA C 71 43.686 43.686 44.169 -0.483 25600 6770 1 16 . 1 1 71 71 GLY H H 71 8.520 8.520 7.795 0.725 25600 6771 1 16 . 1 1 72 72 ASN N N 72 117.785 117.785 118.201 -0.416 25600 6772 1 16 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.255 0.218 25600 6773 1 16 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.324 -0.633 25600 6774 1 16 . 1 1 72 72 ASN CB C 72 39.896 39.896 41.251 -1.355 25600 6775 1 16 . 1 1 72 72 ASN H H 72 8.420 8.420 8.516 -0.096 25600 6776 1 16 . 1 1 73 73 VAL N N 73 115.848 115.848 113.307 2.541 25600 6777 1 16 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.666 -0.135 25600 6778 1 16 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.239 -0.264 25600 6779 1 16 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.407 -0.228 25600 6780 1 16 . 1 1 73 73 VAL H H 73 8.990 8.990 9.122 -0.132 25600 6781 1 16 . 1 1 74 74 LYS N N 74 123.195 123.195 122.122 1.073 25600 6782 1 16 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.731 0.425 25600 6783 1 16 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.275 -0.394 25600 6784 1 16 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.630 -0.033 25600 6785 1 16 . 1 1 74 74 LYS H H 74 8.715 8.715 8.061 0.654 25600 6786 1 16 . 1 1 75 75 VAL N N 75 129.522 129.522 126.728 2.794 25600 6787 1 16 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.561 -0.019 25600 6788 1 16 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.824 -1.008 25600 6789 1 16 . 1 1 75 75 VAL CB C 75 32.483 32.483 33.138 -0.655 25600 6790 1 16 . 1 1 75 75 VAL H H 75 8.975 8.975 8.356 0.619 25600 6791 1 16 . 1 1 76 76 THR N N 76 120.548 120.548 122.520 -1.972 25600 6792 1 16 . 1 1 76 76 THR HA H 76 5.066 5.066 4.716 0.350 25600 6793 1 16 . 1 1 76 76 THR CA C 76 59.783 59.783 61.356 -1.573 25600 6794 1 16 . 1 1 76 76 THR CB C 76 70.733 70.733 71.286 -0.553 25600 6795 1 16 . 1 1 76 76 THR H H 76 8.650 8.650 8.248 0.402 25600 6796 1 16 . 1 1 77 77 ALA N N 77 126.454 126.454 128.207 -1.753 25600 6797 1 16 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.577 -1.197 25600 6798 1 16 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.059 -1.629 25600 6799 1 16 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.548 -2.004 25600 6800 1 16 . 1 1 77 77 ALA H H 77 8.674 8.674 8.754 -0.080 25600 6801 1 16 . 1 1 78 78 SER N N 78 113.568 113.568 117.551 -3.983 25600 6802 1 16 . 1 1 78 78 SER HA H 78 5.376 5.376 4.887 0.489 25600 6803 1 16 . 1 1 78 78 SER CA C 78 56.077 56.077 57.041 -0.964 25600 6804 1 16 . 1 1 78 78 SER CB C 78 65.730 65.730 66.184 -0.454 25600 6805 1 16 . 1 1 78 78 SER H H 78 8.117 8.117 8.423 -0.306 25600 6806 1 16 . 1 1 79 79 ILE N N 79 121.071 121.071 123.244 -2.173 25600 6807 1 16 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.485 -0.344 25600 6808 1 16 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.706 0.418 25600 6809 1 16 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.929 -2.120 25600 6810 1 16 . 1 1 79 79 ILE H H 79 8.446 8.446 7.865 0.581 25600 6811 1 16 . 1 1 80 80 GLY N N 80 117.157 117.157 115.420 1.737 25600 6812 1 16 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.473 -0.467 25600 6813 1 16 . 1 1 80 80 GLY H H 80 8.899 8.899 8.701 0.198 25600 6814 1 16 . 1 1 81 81 GLY N N 81 110.716 110.716 111.028 -0.312 25600 6815 1 16 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.975 -0.597 25600 6816 1 16 . 1 1 81 81 GLY H H 81 8.742 8.742 8.159 0.583 25600 6817 1 16 . 1 1 82 82 ILE N N 82 124.112 124.112 121.753 2.359 25600 6818 1 16 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.253 -0.053 25600 6819 1 16 . 1 1 82 82 ILE CA C 82 59.033 59.033 60.232 -1.199 25600 6820 1 16 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.565 -1.788 25600 6821 1 16 . 1 1 82 82 ILE H H 82 8.188 8.188 8.050 0.138 25600 6822 1 16 . 1 1 83 83 GLN N N 83 122.453 122.453 121.410 1.043 25600 6823 1 16 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.596 0.799 25600 6824 1 16 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.217 -1.197 25600 6825 1 16 . 1 1 83 83 GLN CB C 83 32.515 32.515 33.026 -0.511 25600 6826 1 16 . 1 1 83 83 GLN H H 83 8.423 8.423 8.131 0.292 25600 6827 1 16 . 1 1 84 84 GLY N N 84 111.437 111.437 108.384 3.053 25600 6828 1 16 . 1 1 84 84 GLY CA C 84 43.698 43.698 44.218 -0.520 25600 6829 1 16 . 1 1 84 84 GLY H H 84 8.931 8.931 8.989 -0.058 25600 6830 1 16 . 1 1 85 85 SER N N 85 113.877 113.877 115.634 -1.757 25600 6831 1 16 . 1 1 85 85 SER HA H 85 5.841 5.841 5.183 0.658 25600 6832 1 16 . 1 1 85 85 SER CA C 85 56.264 56.264 56.563 -0.299 25600 6833 1 16 . 1 1 85 85 SER CB C 85 66.946 66.946 66.063 0.883 25600 6834 1 16 . 1 1 85 85 SER H H 85 8.710 8.710 8.347 0.363 25600 6835 1 16 . 1 1 86 86 THR N N 86 115.389 115.389 115.250 0.139 25600 6836 1 16 . 1 1 86 86 THR HA H 86 4.772 4.772 4.586 0.186 25600 6837 1 16 . 1 1 86 86 THR CA C 86 60.313 60.313 61.577 -1.264 25600 6838 1 16 . 1 1 86 86 THR CB C 86 69.953 69.953 71.240 -1.288 25600 6839 1 16 . 1 1 86 86 THR H H 86 8.854 8.854 8.859 -0.005 25600 6840 1 16 . 1 1 87 87 ASP N N 87 124.623 124.623 122.309 2.314 25600 6841 1 16 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.905 0.531 25600 6842 1 16 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.300 0.496 25600 6843 1 16 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.973 -0.963 25600 6844 1 16 . 1 1 87 87 ASP H H 87 7.953 7.953 8.518 -0.565 25600 6845 1 16 . 1 1 88 88 PHE N N 88 123.577 123.577 125.763 -2.186 25600 6846 1 16 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.206 -0.275 25600 6847 1 16 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.503 0.465 25600 6848 1 16 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.795 -0.911 25600 6849 1 16 . 1 1 88 88 PHE H H 88 9.094 9.094 8.469 0.625 25600 6850 1 16 . 1 1 89 89 LYS N N 89 126.965 126.965 126.955 0.010 25600 6851 1 16 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.745 0.293 25600 6852 1 16 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.044 -1.155 25600 6853 1 16 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.630 -0.961 25600 6854 1 16 . 1 1 89 89 LYS H H 89 7.269 7.269 8.152 -0.883 25600 6855 1 16 . 1 1 90 90 VAL N N 90 126.148 126.148 124.484 1.664 25600 6856 1 16 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.197 -0.186 25600 6857 1 16 . 1 1 90 90 VAL CA C 90 59.547 59.547 59.781 -0.234 25600 6858 1 16 . 1 1 90 90 VAL CB C 90 30.948 30.948 33.072 -2.123 25600 6859 1 16 . 1 1 90 90 VAL H H 90 9.086 9.086 8.694 0.392 25600 6860 1 16 . 1 1 91 91 THR N N 91 120.506 120.506 117.679 2.827 25600 6861 1 16 . 1 1 91 91 THR HA H 91 4.568 4.568 4.666 -0.098 25600 6862 1 16 . 1 1 91 91 THR CA C 91 59.348 59.348 60.143 -0.795 25600 6863 1 16 . 1 1 91 91 THR CB C 91 68.970 68.970 71.461 -2.491 25600 6864 1 16 . 1 1 91 91 THR H H 91 8.757 8.757 7.929 0.828 25600 6865 1 17 . 1 1 2 2 PRO HA H 2 4.277 4.277 4.457 -0.180 25600 6866 1 17 . 1 1 2 2 PRO CA C 2 61.221 61.221 63.181 -1.960 25600 6867 1 17 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.210 -0.794 25600 6868 1 17 . 1 1 3 3 ALA N N 3 123.804 123.804 123.405 0.399 25600 6869 1 17 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.362 -0.156 25600 6870 1 17 . 1 1 3 3 ALA CA C 3 51.395 51.395 52.846 -1.451 25600 6871 1 17 . 1 1 3 3 ALA CB C 3 18.840 18.840 20.238 -1.398 25600 6872 1 17 . 1 1 3 3 ALA H H 3 8.647 8.647 8.503 0.144 25600 6873 1 17 . 1 1 4 4 ALA N N 4 124.059 124.059 121.532 2.527 25600 6874 1 17 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.595 0.114 25600 6875 1 17 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.488 -0.466 25600 6876 1 17 . 1 1 4 4 ALA CB C 4 19.897 19.897 21.069 -1.172 25600 6877 1 17 . 1 1 4 4 ALA H H 4 8.239 8.239 7.950 0.289 25600 6878 1 17 . 1 1 5 5 LEU N N 5 124.019 124.019 120.672 3.347 25600 6879 1 17 . 1 1 5 5 LEU HA H 5 3.372 3.372 4.139 -0.767 25600 6880 1 17 . 1 1 5 5 LEU CA C 5 55.008 55.008 55.851 -0.843 25600 6881 1 17 . 1 1 5 5 LEU CB C 5 41.242 41.242 40.999 0.243 25600 6882 1 17 . 1 1 5 5 LEU H H 5 8.560 8.560 8.781 -0.221 25600 6883 1 17 . 1 1 6 6 VAL N N 6 123.356 123.356 121.967 1.389 25600 6884 1 17 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.255 -0.158 25600 6885 1 17 . 1 1 6 6 VAL CA C 6 62.340 62.340 63.081 -0.741 25600 6886 1 17 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.862 -0.914 25600 6887 1 17 . 1 1 6 6 VAL H H 6 9.119 9.119 8.320 0.799 25600 6888 1 17 . 1 1 7 7 SER N N 7 112.134 112.134 114.259 -2.125 25600 6889 1 17 . 1 1 7 7 SER HA H 7 4.445 4.445 4.768 -0.323 25600 6890 1 17 . 1 1 7 7 SER CA C 7 56.349 56.349 58.365 -2.016 25600 6891 1 17 . 1 1 7 7 SER CB C 7 64.361 64.361 66.639 -2.278 25600 6892 1 17 . 1 1 7 7 SER H H 7 7.680 7.680 7.712 -0.032 25600 6893 1 17 . 1 1 8 8 ILE N N 8 118.674 118.674 119.861 -1.187 25600 6894 1 17 . 1 1 8 8 ILE HA H 8 4.673 4.673 4.600 0.073 25600 6895 1 17 . 1 1 8 8 ILE CA C 8 59.146 59.146 61.306 -2.160 25600 6896 1 17 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.636 -0.962 25600 6897 1 17 . 1 1 8 8 ILE H H 8 8.354 8.354 8.380 -0.026 25600 6898 1 17 . 1 1 9 9 SER N N 9 121.318 121.318 122.220 -0.902 25600 6899 1 17 . 1 1 9 9 SER HA H 9 4.863 4.863 4.835 0.028 25600 6900 1 17 . 1 1 9 9 SER CA C 9 55.381 55.381 57.573 -2.192 25600 6901 1 17 . 1 1 9 9 SER CB C 9 64.243 64.243 63.283 0.960 25600 6902 1 17 . 1 1 9 9 SER H H 9 9.028 9.028 8.609 0.419 25600 6903 1 17 . 1 1 10 10 VAL N N 10 127.509 127.509 121.948 5.561 25600 6904 1 17 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.924 0.126 25600 6905 1 17 . 1 1 10 10 VAL CA C 10 60.912 60.912 59.789 1.123 25600 6906 1 17 . 1 1 10 10 VAL CB C 10 33.387 33.387 34.578 -1.191 25600 6907 1 17 . 1 1 10 10 VAL H H 10 8.911 8.911 8.457 0.454 25600 6908 1 17 . 1 1 11 11 SER N N 11 121.861 121.861 122.319 -0.458 25600 6909 1 17 . 1 1 11 11 SER CB C 11 64.373 64.373 62.817 1.556 25600 6910 1 17 . 1 1 11 11 SER H H 11 9.205 9.205 8.658 0.547 25600 6911 1 17 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.650 0.054 25600 6912 1 17 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.854 -1.955 25600 6913 1 17 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.262 1.827 25600 6914 1 17 . 1 1 13 13 THR N N 13 116.138 116.138 117.412 -1.274 25600 6915 1 17 . 1 1 13 13 THR HA H 13 4.770 4.770 4.577 0.193 25600 6916 1 17 . 1 1 13 13 THR CA C 13 60.153 60.153 61.495 -1.342 25600 6917 1 17 . 1 1 13 13 THR CB C 13 69.426 69.426 69.885 -0.459 25600 6918 1 17 . 1 1 13 13 THR H H 13 8.679 8.679 8.718 -0.039 25600 6919 1 17 . 1 1 14 14 ASN N N 14 124.457 124.457 124.861 -0.404 25600 6920 1 17 . 1 1 14 14 ASN HA H 14 4.695 4.695 5.312 -0.617 25600 6921 1 17 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.286 0.842 25600 6922 1 17 . 1 1 14 14 ASN CB C 14 36.593 36.593 39.562 -2.969 25600 6923 1 17 . 1 1 14 14 ASN H H 14 8.710 8.710 8.771 -0.061 25600 6924 1 17 . 1 1 15 15 SER N N 15 113.673 113.673 118.892 -5.219 25600 6925 1 17 . 1 1 15 15 SER HA H 15 4.648 4.648 4.734 -0.086 25600 6926 1 17 . 1 1 15 15 SER CA C 15 55.644 55.644 58.303 -2.659 25600 6927 1 17 . 1 1 15 15 SER CB C 15 63.953 63.953 64.024 -0.071 25600 6928 1 17 . 1 1 15 15 SER H H 15 9.127 9.127 8.621 0.506 25600 6929 1 17 . 1 1 16 16 THR N N 16 113.579 113.579 112.418 1.161 25600 6930 1 17 . 1 1 16 16 THR HA H 16 4.976 4.976 4.466 0.510 25600 6931 1 17 . 1 1 16 16 THR CA C 16 58.445 58.445 60.804 -2.359 25600 6932 1 17 . 1 1 16 16 THR CB C 16 70.534 70.534 70.126 0.407 25600 6933 1 17 . 1 1 16 16 THR H H 16 7.962 7.962 8.179 -0.217 25600 6934 1 17 . 1 1 17 17 VAL N N 17 121.479 121.479 122.464 -0.985 25600 6935 1 17 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.347 -0.027 25600 6936 1 17 . 1 1 17 17 VAL CA C 17 59.937 59.937 60.129 -0.192 25600 6937 1 17 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.276 0.128 25600 6938 1 17 . 1 1 17 17 VAL H H 17 7.969 7.969 8.560 -0.591 25600 6939 1 17 . 1 1 18 18 ALA N N 18 126.014 126.014 126.967 -0.953 25600 6940 1 17 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.266 -0.091 25600 6941 1 17 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.954 -0.991 25600 6942 1 17 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.594 -0.672 25600 6943 1 17 . 1 1 18 18 ALA H H 18 7.756 7.756 8.145 -0.389 25600 6944 1 17 . 1 1 19 19 LYS N N 19 119.741 119.741 122.442 -2.701 25600 6945 1 17 . 1 1 19 19 LYS HA H 19 3.487 3.487 3.957 -0.470 25600 6946 1 17 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.359 0.413 25600 6947 1 17 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.881 -1.279 25600 6948 1 17 . 1 1 19 19 LYS H H 19 7.893 7.893 7.971 -0.078 25600 6949 1 17 . 1 1 20 20 GLY N N 20 116.709 116.709 114.927 1.782 25600 6950 1 17 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.295 -1.532 25600 6951 1 17 . 1 1 20 20 GLY H H 20 8.615 8.615 8.814 -0.199 25600 6952 1 17 . 1 1 21 21 LEU N N 21 123.004 123.004 121.964 1.040 25600 6953 1 17 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.679 -0.091 25600 6954 1 17 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.397 -1.032 25600 6955 1 17 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.193 -5.231 25600 6956 1 17 . 1 1 21 21 LEU H H 21 8.013 8.013 7.840 0.173 25600 6957 1 17 . 1 1 22 22 GLN N N 22 117.504 117.504 119.798 -2.294 25600 6958 1 17 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.142 -0.014 25600 6959 1 17 . 1 1 22 22 GLN CA C 22 53.669 53.669 53.901 -0.232 25600 6960 1 17 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.928 -1.014 25600 6961 1 17 . 1 1 22 22 GLN H H 22 8.223 8.223 8.390 -0.167 25600 6962 1 17 . 1 1 23 23 GLU N N 23 118.125 118.125 119.841 -1.716 25600 6963 1 17 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.512 0.051 25600 6964 1 17 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.089 -1.222 25600 6965 1 17 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.244 -0.370 25600 6966 1 17 . 1 1 23 23 GLU H H 23 8.188 8.188 8.202 -0.014 25600 6967 1 17 . 1 1 24 24 ASN N N 24 125.841 125.841 120.672 5.169 25600 6968 1 17 . 1 1 24 24 ASN HA H 24 4.778 4.778 4.798 -0.020 25600 6969 1 17 . 1 1 24 24 ASN CA C 24 52.511 52.511 52.183 0.328 25600 6970 1 17 . 1 1 24 24 ASN CB C 24 39.746 39.746 40.418 -0.672 25600 6971 1 17 . 1 1 24 24 ASN H H 24 9.391 9.391 8.285 1.106 25600 6972 1 17 . 1 1 25 25 PHE N N 25 122.823 122.823 119.638 3.185 25600 6973 1 17 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.703 -0.052 25600 6974 1 17 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.041 1.083 25600 6975 1 17 . 1 1 25 25 PHE CB C 25 39.059 39.059 41.860 -2.801 25600 6976 1 17 . 1 1 25 25 PHE H H 25 8.062 8.062 8.178 -0.116 25600 6977 1 17 . 1 1 26 26 LYS N N 26 119.114 119.114 119.222 -0.108 25600 6978 1 17 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.777 0.467 25600 6979 1 17 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.556 -2.580 25600 6980 1 17 . 1 1 26 26 LYS CB C 26 34.661 34.661 36.210 -1.549 25600 6981 1 17 . 1 1 26 26 LYS H H 26 9.255 9.255 8.561 0.694 25600 6982 1 17 . 1 1 27 27 ALA N N 27 125.586 125.586 126.577 -0.991 25600 6983 1 17 . 1 1 27 27 ALA HA H 27 5.262 5.262 4.876 0.386 25600 6984 1 17 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.301 -2.484 25600 6985 1 17 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.315 -1.155 25600 6986 1 17 . 1 1 27 27 ALA H H 27 9.120 9.120 8.890 0.230 25600 6987 1 17 . 1 1 28 28 THR N N 28 120.627 120.627 115.769 4.858 25600 6988 1 17 . 1 1 28 28 THR HA H 28 4.837 4.837 4.767 0.070 25600 6989 1 17 . 1 1 28 28 THR CA C 28 60.566 60.566 59.909 0.657 25600 6990 1 17 . 1 1 28 28 THR CB C 28 69.478 69.478 70.738 -1.260 25600 6991 1 17 . 1 1 28 28 THR H H 28 9.062 9.062 8.071 0.991 25600 6992 1 17 . 1 1 29 29 GLY N N 29 115.788 115.788 112.986 2.802 25600 6993 1 17 . 1 1 29 29 GLY CA C 29 44.316 44.316 44.009 0.307 25600 6994 1 17 . 1 1 29 29 GLY H H 29 9.663 9.663 9.105 0.558 25600 6995 1 17 . 1 1 30 30 ILE N N 30 123.085 123.085 127.248 -4.163 25600 6996 1 17 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.182 0.596 25600 6997 1 17 . 1 1 30 30 ILE CA C 30 59.388 59.388 59.904 -0.516 25600 6998 1 17 . 1 1 30 30 ILE CB C 30 36.883 36.883 39.905 -3.022 25600 6999 1 17 . 1 1 30 30 ILE H H 30 7.914 7.914 8.383 -0.469 25600 7000 1 17 . 1 1 31 31 PHE N N 31 125.209 125.209 127.120 -1.911 25600 7001 1 17 . 1 1 31 31 PHE HA H 31 5.370 5.370 4.934 0.436 25600 7002 1 17 . 1 1 31 31 PHE CA C 31 56.487 56.487 55.333 1.154 25600 7003 1 17 . 1 1 31 31 PHE CB C 31 41.153 41.153 40.011 1.142 25600 7004 1 17 . 1 1 31 31 PHE H H 31 8.316 8.316 7.688 0.628 25600 7005 1 17 . 1 1 32 32 THR N N 32 113.843 113.843 114.293 -0.450 25600 7006 1 17 . 1 1 32 32 THR HA H 32 4.404 4.404 4.233 0.171 25600 7007 1 17 . 1 1 32 32 THR CA C 32 64.157 64.157 64.716 -0.560 25600 7008 1 17 . 1 1 32 32 THR CB C 32 68.540 68.540 68.205 0.335 25600 7009 1 17 . 1 1 32 32 THR H H 32 9.335 9.335 8.668 0.667 25600 7010 1 17 . 1 1 33 33 ASP N N 33 118.800 118.800 121.336 -2.536 25600 7011 1 17 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.701 -0.080 25600 7012 1 17 . 1 1 33 33 ASP CA C 33 51.963 51.963 54.028 -2.065 25600 7013 1 17 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.946 -2.452 25600 7014 1 17 . 1 1 33 33 ASP H H 33 7.689 7.689 7.830 -0.141 25600 7015 1 17 . 1 1 34 34 ASN N N 34 112.995 112.995 113.403 -0.408 25600 7016 1 17 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.331 0.017 25600 7017 1 17 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.781 -0.435 25600 7018 1 17 . 1 1 34 34 ASN CB C 34 36.490 36.490 36.167 0.323 25600 7019 1 17 . 1 1 34 34 ASN H H 34 8.370 8.370 8.064 0.306 25600 7020 1 17 . 1 1 35 35 SER N N 35 115.545 115.545 115.293 0.252 25600 7021 1 17 . 1 1 35 35 SER HA H 35 4.413 4.413 4.606 -0.193 25600 7022 1 17 . 1 1 35 35 SER CA C 35 57.882 57.882 56.807 1.075 25600 7023 1 17 . 1 1 35 35 SER CB C 35 63.770 63.770 63.494 0.276 25600 7024 1 17 . 1 1 35 35 SER H H 35 7.990 7.990 7.951 0.039 25600 7025 1 17 . 1 1 36 36 ASN N N 36 116.053 116.053 125.791 -9.738 25600 7026 1 17 . 1 1 36 36 ASN HA H 36 2.890 2.890 5.075 -2.185 25600 7027 1 17 . 1 1 36 36 ASN CA C 36 50.674 50.674 52.703 -2.029 25600 7028 1 17 . 1 1 36 36 ASN CB C 36 41.799 41.799 39.824 1.975 25600 7029 1 17 . 1 1 36 36 ASN H H 36 8.518 8.518 8.336 0.182 25600 7030 1 17 . 1 1 37 37 SER N N 37 113.191 113.191 116.127 -2.936 25600 7031 1 17 . 1 1 37 37 SER HA H 37 4.715 4.715 4.669 0.046 25600 7032 1 17 . 1 1 37 37 SER CA C 37 56.801 56.801 57.010 -0.209 25600 7033 1 17 . 1 1 37 37 SER CB C 37 64.872 64.872 66.133 -1.261 25600 7034 1 17 . 1 1 37 37 SER H H 37 8.667 8.667 8.736 -0.069 25600 7035 1 17 . 1 1 38 38 ASP N N 38 123.962 123.962 121.421 2.541 25600 7036 1 17 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.723 0.264 25600 7037 1 17 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.583 0.618 25600 7038 1 17 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.855 -1.926 25600 7039 1 17 . 1 1 38 38 ASP H H 38 8.848 8.848 8.487 0.361 25600 7040 1 17 . 1 1 39 39 ILE N N 39 121.216 121.216 124.743 -3.527 25600 7041 1 17 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.764 1.107 25600 7042 1 17 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.315 -2.608 25600 7043 1 17 . 1 1 39 39 ILE CB C 39 37.086 37.086 37.745 -0.659 25600 7044 1 17 . 1 1 39 39 ILE H H 39 8.815 8.815 8.395 0.420 25600 7045 1 17 . 1 1 40 40 THR N N 40 122.867 122.867 114.798 8.069 25600 7046 1 17 . 1 1 40 40 THR HA H 40 4.288 4.288 4.155 0.133 25600 7047 1 17 . 1 1 40 40 THR CB C 40 68.527 68.527 68.817 -0.290 25600 7048 1 17 . 1 1 40 40 THR H H 40 8.679 8.679 8.026 0.653 25600 7049 1 17 . 1 1 41 41 ASP N N 41 114.081 114.081 119.219 -5.138 25600 7050 1 17 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.793 -1.095 25600 7051 1 17 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.262 -0.784 25600 7052 1 17 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.821 -2.103 25600 7053 1 17 . 1 1 41 41 ASP H H 41 8.539 8.539 8.534 0.005 25600 7054 1 17 . 1 1 42 42 GLN N N 42 117.087 117.087 117.159 -0.072 25600 7055 1 17 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.010 0.141 25600 7056 1 17 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.139 -0.603 25600 7057 1 17 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.350 2.866 25600 7058 1 17 . 1 1 42 42 GLN H H 42 7.718 7.718 7.343 0.375 25600 7059 1 17 . 1 1 43 43 VAL N N 43 109.916 109.916 124.066 -14.150 25600 7060 1 17 . 1 1 43 43 VAL HA H 43 4.089 4.089 4.326 -0.237 25600 7061 1 17 . 1 1 43 43 VAL CA C 43 58.840 58.840 62.399 -3.559 25600 7062 1 17 . 1 1 43 43 VAL CB C 43 31.273 31.273 33.295 -2.022 25600 7063 1 17 . 1 1 43 43 VAL H H 43 6.902 6.902 8.396 -1.494 25600 7064 1 17 . 1 1 44 44 THR N N 44 116.272 116.272 125.501 -9.229 25600 7065 1 17 . 1 1 44 44 THR HA H 44 4.315 4.315 4.573 -0.258 25600 7066 1 17 . 1 1 44 44 THR CA C 44 61.651 61.651 61.554 0.097 25600 7067 1 17 . 1 1 44 44 THR CB C 44 68.890 68.890 69.195 -0.305 25600 7068 1 17 . 1 1 44 44 THR H H 44 8.787 8.787 8.433 0.354 25600 7069 1 17 . 1 1 45 45 TRP N N 45 132.098 132.098 125.139 6.959 25600 7070 1 17 . 1 1 45 45 TRP HA H 45 5.245 5.245 5.139 0.106 25600 7071 1 17 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.929 0.458 25600 7072 1 17 . 1 1 45 45 TRP CB C 45 30.077 30.077 30.355 -0.278 25600 7073 1 17 . 1 1 45 45 TRP H H 45 10.351 10.351 8.217 2.134 25600 7074 1 17 . 1 1 46 46 ASP N N 46 121.897 121.897 121.850 0.047 25600 7075 1 17 . 1 1 46 46 ASP HA H 46 4.857 4.857 4.988 -0.131 25600 7076 1 17 . 1 1 46 46 ASP CA C 46 52.797 52.797 54.047 -1.250 25600 7077 1 17 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.090 -0.014 25600 7078 1 17 . 1 1 46 46 ASP H H 46 9.471 9.471 8.345 1.126 25600 7079 1 17 . 1 1 47 47 SER N N 47 113.805 113.805 117.547 -3.742 25600 7080 1 17 . 1 1 47 47 SER HA H 47 5.043 5.043 5.245 -0.202 25600 7081 1 17 . 1 1 47 47 SER CA C 47 53.059 53.059 56.413 -3.354 25600 7082 1 17 . 1 1 47 47 SER CB C 47 64.880 64.880 64.921 -0.041 25600 7083 1 17 . 1 1 47 47 SER H H 47 8.502 8.502 8.556 -0.054 25600 7084 1 17 . 1 1 48 48 SER N N 48 119.614 119.614 119.785 -0.171 25600 7085 1 17 . 1 1 48 48 SER HA H 48 4.264 4.264 4.485 -0.221 25600 7086 1 17 . 1 1 48 48 SER CA C 48 59.404 59.404 59.898 -0.494 25600 7087 1 17 . 1 1 48 48 SER CB C 48 62.026 62.026 63.794 -1.768 25600 7088 1 17 . 1 1 48 48 SER H H 48 8.517 8.517 8.690 -0.173 25600 7089 1 17 . 1 1 49 49 ASN N N 49 118.260 118.260 117.478 0.782 25600 7090 1 17 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.528 0.370 25600 7091 1 17 . 1 1 49 49 ASN CA C 49 52.841 52.841 53.890 -1.049 25600 7092 1 17 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.480 -0.760 25600 7093 1 17 . 1 1 49 49 ASN H H 49 7.816 7.816 8.039 -0.223 25600 7094 1 17 . 1 1 50 50 THR N N 50 119.288 119.288 117.242 2.046 25600 7095 1 17 . 1 1 50 50 THR HA H 50 4.541 4.541 4.360 0.181 25600 7096 1 17 . 1 1 50 50 THR CA C 50 62.137 62.137 64.201 -2.064 25600 7097 1 17 . 1 1 50 50 THR CB C 50 67.100 67.100 69.613 -2.513 25600 7098 1 17 . 1 1 50 50 THR H H 50 9.049 9.049 8.421 0.628 25600 7099 1 17 . 1 1 51 51 ASP N N 51 118.825 118.825 118.576 0.249 25600 7100 1 17 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.780 -0.194 25600 7101 1 17 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.234 0.456 25600 7102 1 17 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.826 -3.168 25600 7103 1 17 . 1 1 51 51 ASP H H 51 8.251 8.251 8.146 0.105 25600 7104 1 17 . 1 1 52 52 ILE N N 52 118.411 118.411 120.862 -2.451 25600 7105 1 17 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.291 -0.366 25600 7106 1 17 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.555 0.126 25600 7107 1 17 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.153 -0.257 25600 7108 1 17 . 1 1 52 52 ILE H H 52 7.169 7.169 7.800 -0.631 25600 7109 1 17 . 1 1 53 53 LEU N N 53 120.126 120.126 125.466 -5.340 25600 7110 1 17 . 1 1 53 53 LEU HA H 53 5.021 5.021 5.148 -0.127 25600 7111 1 17 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.441 -0.160 25600 7112 1 17 . 1 1 53 53 LEU CB C 53 46.405 46.405 45.198 1.207 25600 7113 1 17 . 1 1 53 53 LEU H H 53 7.876 7.876 8.091 -0.215 25600 7114 1 17 . 1 1 54 54 SER N N 54 122.252 122.252 116.329 5.923 25600 7115 1 17 . 1 1 54 54 SER HA H 54 4.959 4.959 4.849 0.110 25600 7116 1 17 . 1 1 54 54 SER CA C 54 54.724 54.724 57.101 -2.377 25600 7117 1 17 . 1 1 54 54 SER CB C 54 64.417 64.417 65.784 -1.367 25600 7118 1 17 . 1 1 54 54 SER H H 54 8.650 8.650 8.629 0.021 25600 7119 1 17 . 1 1 55 55 ILE N N 55 123.973 123.973 124.670 -0.697 25600 7120 1 17 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.486 0.415 25600 7121 1 17 . 1 1 55 55 ILE CA C 55 58.868 58.868 60.146 -1.278 25600 7122 1 17 . 1 1 55 55 ILE CB C 55 41.418 41.418 39.914 1.504 25600 7123 1 17 . 1 1 55 55 ILE H H 55 9.081 9.081 8.442 0.639 25600 7124 1 17 . 1 1 56 56 SER N N 56 119.540 119.540 122.146 -2.606 25600 7125 1 17 . 1 1 56 56 SER HA H 56 4.387 4.387 4.340 0.047 25600 7126 1 17 . 1 1 56 56 SER CA C 56 56.626 56.626 56.864 -0.238 25600 7127 1 17 . 1 1 56 56 SER CB C 56 63.106 63.106 65.745 -2.639 25600 7128 1 17 . 1 1 56 56 SER H H 56 7.905 7.905 8.165 -0.260 25600 7129 1 17 . 1 1 57 57 ASN N N 57 124.207 124.207 122.028 2.179 25600 7130 1 17 . 1 1 57 57 ASN HA H 57 5.019 5.019 5.167 -0.148 25600 7131 1 17 . 1 1 57 57 ASN CA C 57 52.469 52.469 52.770 -0.301 25600 7132 1 17 . 1 1 57 57 ASN CB C 57 40.090 40.090 38.621 1.469 25600 7133 1 17 . 1 1 57 57 ASN H H 57 8.945 8.945 8.645 0.300 25600 7134 1 17 . 1 1 58 58 ALA N N 58 124.301 124.301 122.531 1.770 25600 7135 1 17 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.469 -0.336 25600 7136 1 17 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.882 -1.595 25600 7137 1 17 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.301 -0.947 25600 7138 1 17 . 1 1 58 58 ALA H H 58 8.150 8.150 7.792 0.358 25600 7139 1 17 . 1 1 59 59 SER N N 59 113.299 113.299 113.912 -0.613 25600 7140 1 17 . 1 1 59 59 SER HA H 59 4.698 4.698 4.217 0.481 25600 7141 1 17 . 1 1 59 59 SER CA C 59 60.003 60.003 60.745 -0.742 25600 7142 1 17 . 1 1 59 59 SER CB C 59 62.574 62.574 63.235 -0.661 25600 7143 1 17 . 1 1 59 59 SER H H 59 8.377 8.377 8.452 -0.075 25600 7144 1 17 . 1 1 60 60 ASP N N 60 116.275 116.275 117.333 -1.058 25600 7145 1 17 . 1 1 60 60 ASP HA H 60 4.661 4.661 4.683 -0.022 25600 7146 1 17 . 1 1 60 60 ASP CA C 60 52.769 52.769 54.297 -1.528 25600 7147 1 17 . 1 1 60 60 ASP CB C 60 39.712 39.712 40.734 -1.022 25600 7148 1 17 . 1 1 60 60 ASP H H 60 8.311 8.311 8.065 0.246 25600 7149 1 17 . 1 1 61 61 SER N N 61 112.650 112.650 111.830 0.820 25600 7150 1 17 . 1 1 61 61 SER HA H 61 4.630 4.630 4.274 0.356 25600 7151 1 17 . 1 1 61 61 SER CA C 61 56.180 56.180 59.413 -3.233 25600 7152 1 17 . 1 1 61 61 SER CB C 61 61.843 61.843 62.914 -1.071 25600 7153 1 17 . 1 1 61 61 SER H H 61 7.588 7.588 7.998 -0.410 25600 7154 1 17 . 1 1 62 62 HIS N N 62 119.790 119.790 118.937 0.853 25600 7155 1 17 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.638 -0.591 25600 7156 1 17 . 1 1 62 62 HIS CA C 62 56.919 56.919 54.971 1.948 25600 7157 1 17 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.903 -3.379 25600 7158 1 17 . 1 1 62 62 HIS H H 62 8.029 8.029 8.015 0.014 25600 7159 1 17 . 1 1 63 63 GLY N N 63 113.301 113.301 113.527 -0.226 25600 7160 1 17 . 1 1 63 63 GLY CA C 63 43.653 43.653 45.112 -1.459 25600 7161 1 17 . 1 1 63 63 GLY H H 63 8.733 8.733 8.963 -0.230 25600 7162 1 17 . 1 1 64 64 LEU N N 64 120.664 120.664 126.983 -6.319 25600 7163 1 17 . 1 1 64 64 LEU HA H 64 4.386 4.386 4.978 -0.592 25600 7164 1 17 . 1 1 64 64 LEU CA C 64 54.893 54.893 53.298 1.595 25600 7165 1 17 . 1 1 64 64 LEU CB C 64 41.463 41.463 43.601 -2.138 25600 7166 1 17 . 1 1 64 64 LEU H H 64 7.679 7.679 7.497 0.182 25600 7167 1 17 . 1 1 65 65 ALA N N 65 108.346 108.346 126.324 -17.978 25600 7168 1 17 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.591 0.811 25600 7169 1 17 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.265 -0.998 25600 7170 1 17 . 1 1 65 65 ALA CB C 65 21.555 21.555 20.206 1.349 25600 7171 1 17 . 1 1 65 65 ALA H H 65 9.874 9.874 8.509 1.365 25600 7172 1 17 . 1 1 66 66 SER N N 66 115.951 115.951 119.984 -4.033 25600 7173 1 17 . 1 1 66 66 SER HA H 66 4.909 4.909 4.748 0.161 25600 7174 1 17 . 1 1 66 66 SER CA C 66 56.645 56.645 56.604 0.041 25600 7175 1 17 . 1 1 66 66 SER CB C 66 63.823 63.823 64.097 -0.274 25600 7176 1 17 . 1 1 66 66 SER H H 66 8.938 8.938 8.591 0.347 25600 7177 1 17 . 1 1 67 67 THR N N 67 113.596 113.596 118.672 -5.076 25600 7178 1 17 . 1 1 67 67 THR HA H 67 4.649 4.649 4.785 -0.136 25600 7179 1 17 . 1 1 67 67 THR CA C 67 59.216 59.216 60.549 -1.333 25600 7180 1 17 . 1 1 67 67 THR CB C 67 69.006 69.006 71.332 -2.326 25600 7181 1 17 . 1 1 67 67 THR H H 67 8.258 8.258 8.496 -0.238 25600 7182 1 17 . 1 1 68 68 LEU N N 68 124.151 124.151 122.956 1.195 25600 7183 1 17 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.732 -0.376 25600 7184 1 17 . 1 1 68 68 LEU CA C 68 55.112 55.112 55.164 -0.053 25600 7185 1 17 . 1 1 68 68 LEU CB C 68 42.915 42.915 41.444 1.471 25600 7186 1 17 . 1 1 68 68 LEU H H 68 8.616 8.616 8.081 0.535 25600 7187 1 17 . 1 1 69 69 ASN N N 69 115.821 115.821 116.598 -0.777 25600 7188 1 17 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.811 -0.167 25600 7189 1 17 . 1 1 69 69 ASN CA C 69 51.456 51.456 52.081 -0.625 25600 7190 1 17 . 1 1 69 69 ASN CB C 69 42.306 42.306 40.843 1.463 25600 7191 1 17 . 1 1 69 69 ASN H H 69 7.965 7.965 7.680 0.285 25600 7192 1 17 . 1 1 70 70 GLN N N 70 114.564 114.564 118.451 -3.887 25600 7193 1 17 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.593 -0.668 25600 7194 1 17 . 1 1 70 70 GLN CA C 70 55.237 55.237 54.478 0.759 25600 7195 1 17 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.732 0.274 25600 7196 1 17 . 1 1 70 70 GLN H H 70 8.287 8.287 8.669 -0.382 25600 7197 1 17 . 1 1 71 71 GLY N N 71 108.006 108.006 108.382 -0.376 25600 7198 1 17 . 1 1 71 71 GLY CA C 71 43.686 43.686 43.754 -0.068 25600 7199 1 17 . 1 1 71 71 GLY H H 71 8.520 8.520 7.915 0.605 25600 7200 1 17 . 1 1 72 72 ASN N N 72 117.785 117.785 118.883 -1.098 25600 7201 1 17 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.066 0.407 25600 7202 1 17 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.439 -0.748 25600 7203 1 17 . 1 1 72 72 ASN CB C 72 39.896 39.896 40.248 -0.352 25600 7204 1 17 . 1 1 72 72 ASN H H 72 8.420 8.420 8.265 0.155 25600 7205 1 17 . 1 1 73 73 VAL N N 73 115.848 115.848 122.906 -7.058 25600 7206 1 17 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.478 0.053 25600 7207 1 17 . 1 1 73 73 VAL CA C 73 58.975 58.975 60.940 -1.965 25600 7208 1 17 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.341 -0.162 25600 7209 1 17 . 1 1 73 73 VAL H H 73 8.990 8.990 9.263 -0.273 25600 7210 1 17 . 1 1 74 74 LYS N N 74 123.195 123.195 124.588 -1.393 25600 7211 1 17 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.823 0.333 25600 7212 1 17 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.838 -0.957 25600 7213 1 17 . 1 1 74 74 LYS CB C 74 33.597 33.597 34.436 -0.839 25600 7214 1 17 . 1 1 74 74 LYS H H 74 8.715 8.715 8.773 -0.058 25600 7215 1 17 . 1 1 75 75 VAL N N 75 129.522 129.522 127.942 1.580 25600 7216 1 17 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.875 -0.333 25600 7217 1 17 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.020 -0.204 25600 7218 1 17 . 1 1 75 75 VAL CB C 75 32.483 32.483 34.544 -2.061 25600 7219 1 17 . 1 1 75 75 VAL H H 75 8.975 8.975 8.810 0.165 25600 7220 1 17 . 1 1 76 76 THR N N 76 120.548 120.548 123.474 -2.926 25600 7221 1 17 . 1 1 76 76 THR HA H 76 5.066 5.066 4.670 0.396 25600 7222 1 17 . 1 1 76 76 THR CA C 76 59.783 59.783 60.931 -1.148 25600 7223 1 17 . 1 1 76 76 THR CB C 76 70.733 70.733 70.628 0.105 25600 7224 1 17 . 1 1 76 76 THR H H 76 8.650 8.650 8.534 0.116 25600 7225 1 17 . 1 1 77 77 ALA N N 77 126.454 126.454 127.696 -1.242 25600 7226 1 17 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.452 -1.072 25600 7227 1 17 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.690 -2.260 25600 7228 1 17 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.613 -2.069 25600 7229 1 17 . 1 1 77 77 ALA H H 77 8.674 8.674 8.104 0.570 25600 7230 1 17 . 1 1 78 78 SER N N 78 113.568 113.568 117.420 -3.852 25600 7231 1 17 . 1 1 78 78 SER HA H 78 5.376 5.376 4.942 0.434 25600 7232 1 17 . 1 1 78 78 SER CA C 78 56.077 56.077 57.176 -1.099 25600 7233 1 17 . 1 1 78 78 SER CB C 78 65.730 65.730 65.654 0.076 25600 7234 1 17 . 1 1 78 78 SER H H 78 8.117 8.117 8.125 -0.008 25600 7235 1 17 . 1 1 79 79 ILE N N 79 121.071 121.071 125.436 -4.365 25600 7236 1 17 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.427 -0.286 25600 7237 1 17 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.318 0.806 25600 7238 1 17 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.801 -1.992 25600 7239 1 17 . 1 1 79 79 ILE H H 79 8.446 8.446 7.717 0.729 25600 7240 1 17 . 1 1 80 80 GLY N N 80 117.157 117.157 116.863 0.294 25600 7241 1 17 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.757 -0.751 25600 7242 1 17 . 1 1 80 80 GLY H H 80 8.899 8.899 8.991 -0.092 25600 7243 1 17 . 1 1 81 81 GLY N N 81 110.716 110.716 110.202 0.514 25600 7244 1 17 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.777 -0.399 25600 7245 1 17 . 1 1 81 81 GLY H H 81 8.742 8.742 8.082 0.660 25600 7246 1 17 . 1 1 82 82 ILE N N 82 124.112 124.112 121.616 2.496 25600 7247 1 17 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.094 0.106 25600 7248 1 17 . 1 1 82 82 ILE CA C 82 59.033 59.033 61.153 -2.120 25600 7249 1 17 . 1 1 82 82 ILE CB C 82 36.777 36.777 37.808 -1.031 25600 7250 1 17 . 1 1 82 82 ILE H H 82 8.188 8.188 8.011 0.177 25600 7251 1 17 . 1 1 83 83 GLN N N 83 122.453 122.453 121.539 0.914 25600 7252 1 17 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.658 0.737 25600 7253 1 17 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.401 -1.381 25600 7254 1 17 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.976 -0.461 25600 7255 1 17 . 1 1 83 83 GLN H H 83 8.423 8.423 8.220 0.203 25600 7256 1 17 . 1 1 84 84 GLY N N 84 111.437 111.437 107.537 3.900 25600 7257 1 17 . 1 1 84 84 GLY CA C 84 43.698 43.698 45.620 -1.922 25600 7258 1 17 . 1 1 84 84 GLY H H 84 8.931 8.931 8.046 0.885 25600 7259 1 17 . 1 1 85 85 SER N N 85 113.877 113.877 116.028 -2.151 25600 7260 1 17 . 1 1 85 85 SER HA H 85 5.841 5.841 5.109 0.732 25600 7261 1 17 . 1 1 85 85 SER CA C 85 56.264 56.264 57.132 -0.868 25600 7262 1 17 . 1 1 85 85 SER CB C 85 66.946 66.946 65.787 1.159 25600 7263 1 17 . 1 1 85 85 SER H H 85 8.710 8.710 8.255 0.455 25600 7264 1 17 . 1 1 86 86 THR N N 86 115.389 115.389 116.835 -1.446 25600 7265 1 17 . 1 1 86 86 THR HA H 86 4.772 4.772 4.557 0.215 25600 7266 1 17 . 1 1 86 86 THR CA C 86 60.313 60.313 60.996 -0.683 25600 7267 1 17 . 1 1 86 86 THR CB C 86 69.953 69.953 71.052 -1.099 25600 7268 1 17 . 1 1 86 86 THR H H 86 8.854 8.854 9.080 -0.226 25600 7269 1 17 . 1 1 87 87 ASP N N 87 124.623 124.623 123.955 0.668 25600 7270 1 17 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.899 0.537 25600 7271 1 17 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.705 0.091 25600 7272 1 17 . 1 1 87 87 ASP CB C 87 42.010 42.010 43.109 -1.099 25600 7273 1 17 . 1 1 87 87 ASP H H 87 7.953 7.953 8.753 -0.800 25600 7274 1 17 . 1 1 88 88 PHE N N 88 123.577 123.577 126.274 -2.697 25600 7275 1 17 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.176 -0.245 25600 7276 1 17 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.332 0.636 25600 7277 1 17 . 1 1 88 88 PHE CB C 88 42.884 42.884 42.915 -0.031 25600 7278 1 17 . 1 1 88 88 PHE H H 88 9.094 9.094 8.821 0.273 25600 7279 1 17 . 1 1 89 89 LYS N N 89 126.965 126.965 128.193 -1.228 25600 7280 1 17 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.701 0.337 25600 7281 1 17 . 1 1 89 89 LYS CA C 89 53.889 53.889 54.722 -0.833 25600 7282 1 17 . 1 1 89 89 LYS CB C 89 34.669 34.669 34.407 0.262 25600 7283 1 17 . 1 1 89 89 LYS H H 89 7.269 7.269 7.964 -0.695 25600 7284 1 17 . 1 1 90 90 VAL N N 90 126.148 126.148 124.725 1.423 25600 7285 1 17 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.356 -0.345 25600 7286 1 17 . 1 1 90 90 VAL CA C 90 59.547 59.547 59.419 0.128 25600 7287 1 17 . 1 1 90 90 VAL CB C 90 30.948 30.948 33.273 -2.325 25600 7288 1 17 . 1 1 90 90 VAL H H 90 9.086 9.086 8.548 0.538 25600 7289 1 17 . 1 1 91 91 THR N N 91 120.506 120.506 116.930 3.576 25600 7290 1 17 . 1 1 91 91 THR HA H 91 4.568 4.568 4.646 -0.078 25600 7291 1 17 . 1 1 91 91 THR CA C 91 59.348 59.348 58.953 0.396 25600 7292 1 17 . 1 1 91 91 THR CB C 91 68.970 68.970 72.204 -3.233 25600 7293 1 17 . 1 1 91 91 THR H H 91 8.757 8.757 7.895 0.862 25600 7294 1 18 . 1 1 2 2 PRO HA H 2 4.277 4.277 4.670 -0.393 25600 7295 1 18 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.823 -1.602 25600 7296 1 18 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.705 -1.288 25600 7297 1 18 . 1 1 3 3 ALA N N 3 123.804 123.804 123.402 0.402 25600 7298 1 18 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.737 -0.531 25600 7299 1 18 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.815 -0.420 25600 7300 1 18 . 1 1 3 3 ALA CB C 3 18.840 18.840 19.863 -1.023 25600 7301 1 18 . 1 1 3 3 ALA H H 3 8.647 8.647 8.273 0.374 25600 7302 1 18 . 1 1 4 4 ALA N N 4 124.059 124.059 127.023 -2.964 25600 7303 1 18 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.685 0.024 25600 7304 1 18 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.604 -0.582 25600 7305 1 18 . 1 1 4 4 ALA CB C 4 19.897 19.897 20.546 -0.649 25600 7306 1 18 . 1 1 4 4 ALA H H 4 8.239 8.239 8.528 -0.289 25600 7307 1 18 . 1 1 5 5 LEU N N 5 124.019 124.019 121.087 2.932 25600 7308 1 18 . 1 1 5 5 LEU HA H 5 3.372 3.372 2.256 1.116 25600 7309 1 18 . 1 1 5 5 LEU CA C 5 55.008 55.008 55.474 -0.466 25600 7310 1 18 . 1 1 5 5 LEU CB C 5 41.242 41.242 41.796 -0.554 25600 7311 1 18 . 1 1 5 5 LEU H H 5 8.560 8.560 8.102 0.458 25600 7312 1 18 . 1 1 6 6 VAL N N 6 123.356 123.356 115.715 7.641 25600 7313 1 18 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.221 -0.124 25600 7314 1 18 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.076 0.264 25600 7315 1 18 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.629 -0.681 25600 7316 1 18 . 1 1 6 6 VAL H H 6 9.119 9.119 7.809 1.310 25600 7317 1 18 . 1 1 7 7 SER N N 7 112.134 112.134 113.140 -1.006 25600 7318 1 18 . 1 1 7 7 SER HA H 7 4.445 4.445 4.775 -0.330 25600 7319 1 18 . 1 1 7 7 SER CA C 7 56.349 56.349 57.529 -1.180 25600 7320 1 18 . 1 1 7 7 SER CB C 7 64.361 64.361 66.653 -2.292 25600 7321 1 18 . 1 1 7 7 SER H H 7 7.680 7.680 7.959 -0.279 25600 7322 1 18 . 1 1 8 8 ILE N N 8 118.674 118.674 115.849 2.825 25600 7323 1 18 . 1 1 8 8 ILE HA H 8 4.673 4.673 4.985 -0.312 25600 7324 1 18 . 1 1 8 8 ILE CA C 8 59.146 59.146 59.898 -0.751 25600 7325 1 18 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.537 -0.863 25600 7326 1 18 . 1 1 8 8 ILE H H 8 8.354 8.354 8.182 0.172 25600 7327 1 18 . 1 1 9 9 SER N N 9 121.318 121.318 119.892 1.426 25600 7328 1 18 . 1 1 9 9 SER HA H 9 4.863 4.863 4.886 -0.023 25600 7329 1 18 . 1 1 9 9 SER CA C 9 55.381 55.381 57.164 -1.783 25600 7330 1 18 . 1 1 9 9 SER CB C 9 64.243 64.243 63.696 0.547 25600 7331 1 18 . 1 1 9 9 SER H H 9 9.028 9.028 8.732 0.296 25600 7332 1 18 . 1 1 10 10 VAL N N 10 127.509 127.509 121.784 5.725 25600 7333 1 18 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.996 0.054 25600 7334 1 18 . 1 1 10 10 VAL CA C 10 60.912 60.912 59.674 1.238 25600 7335 1 18 . 1 1 10 10 VAL CB C 10 33.387 33.387 34.053 -0.666 25600 7336 1 18 . 1 1 10 10 VAL H H 10 8.911 8.911 8.528 0.383 25600 7337 1 18 . 1 1 11 11 SER N N 11 121.861 121.861 121.882 -0.021 25600 7338 1 18 . 1 1 11 11 SER CB C 11 64.373 64.373 63.000 1.373 25600 7339 1 18 . 1 1 11 11 SER H H 11 9.205 9.205 8.661 0.544 25600 7340 1 18 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.959 -0.255 25600 7341 1 18 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.988 -2.089 25600 7342 1 18 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.515 1.574 25600 7343 1 18 . 1 1 13 13 THR N N 13 116.138 116.138 117.917 -1.779 25600 7344 1 18 . 1 1 13 13 THR HA H 13 4.770 4.770 4.507 0.263 25600 7345 1 18 . 1 1 13 13 THR CA C 13 60.153 60.153 61.840 -1.687 25600 7346 1 18 . 1 1 13 13 THR CB C 13 69.426 69.426 70.177 -0.751 25600 7347 1 18 . 1 1 13 13 THR H H 13 8.679 8.679 8.641 0.038 25600 7348 1 18 . 1 1 14 14 ASN N N 14 124.457 124.457 125.639 -1.182 25600 7349 1 18 . 1 1 14 14 ASN HA H 14 4.695 4.695 5.398 -0.703 25600 7350 1 18 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.563 0.565 25600 7351 1 18 . 1 1 14 14 ASN CB C 14 36.593 36.593 39.999 -3.406 25600 7352 1 18 . 1 1 14 14 ASN H H 14 8.710 8.710 8.736 -0.026 25600 7353 1 18 . 1 1 15 15 SER N N 15 113.673 113.673 119.453 -5.780 25600 7354 1 18 . 1 1 15 15 SER HA H 15 4.648 4.648 4.513 0.135 25600 7355 1 18 . 1 1 15 15 SER CA C 15 55.644 55.644 57.946 -2.302 25600 7356 1 18 . 1 1 15 15 SER CB C 15 63.953 63.953 64.728 -0.775 25600 7357 1 18 . 1 1 15 15 SER H H 15 9.127 9.127 7.964 1.163 25600 7358 1 18 . 1 1 16 16 THR N N 16 113.579 113.579 114.388 -0.809 25600 7359 1 18 . 1 1 16 16 THR HA H 16 4.976 4.976 4.911 0.065 25600 7360 1 18 . 1 1 16 16 THR CA C 16 58.445 58.445 60.666 -2.221 25600 7361 1 18 . 1 1 16 16 THR CB C 16 70.534 70.534 70.323 0.211 25600 7362 1 18 . 1 1 16 16 THR H H 16 7.962 7.962 8.091 -0.129 25600 7363 1 18 . 1 1 17 17 VAL N N 17 121.479 121.479 119.509 1.970 25600 7364 1 18 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.439 -0.119 25600 7365 1 18 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.338 0.599 25600 7366 1 18 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.010 0.395 25600 7367 1 18 . 1 1 17 17 VAL H H 17 7.969 7.969 8.103 -0.134 25600 7368 1 18 . 1 1 18 18 ALA N N 18 126.014 126.014 125.919 0.095 25600 7369 1 18 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.362 -0.187 25600 7370 1 18 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.444 -0.481 25600 7371 1 18 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.689 -0.767 25600 7372 1 18 . 1 1 18 18 ALA H H 18 7.756 7.756 8.254 -0.498 25600 7373 1 18 . 1 1 19 19 LYS N N 19 119.741 119.741 121.780 -2.039 25600 7374 1 18 . 1 1 19 19 LYS HA H 19 3.487 3.487 3.969 -0.482 25600 7375 1 18 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.562 0.210 25600 7376 1 18 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.562 -0.960 25600 7377 1 18 . 1 1 19 19 LYS H H 19 7.893 7.893 8.482 -0.589 25600 7378 1 18 . 1 1 20 20 GLY N N 20 116.709 116.709 115.081 1.628 25600 7379 1 18 . 1 1 20 20 GLY CA C 20 43.763 43.763 44.939 -1.176 25600 7380 1 18 . 1 1 20 20 GLY H H 20 8.615 8.615 8.659 -0.044 25600 7381 1 18 . 1 1 21 21 LEU N N 21 123.004 123.004 123.042 -0.038 25600 7382 1 18 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.681 -0.093 25600 7383 1 18 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.352 -0.987 25600 7384 1 18 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.294 -5.332 25600 7385 1 18 . 1 1 21 21 LEU H H 21 8.013 8.013 8.014 -0.001 25600 7386 1 18 . 1 1 22 22 GLN N N 22 117.504 117.504 120.186 -2.682 25600 7387 1 18 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.148 -0.020 25600 7388 1 18 . 1 1 22 22 GLN CA C 22 53.669 53.669 53.258 0.411 25600 7389 1 18 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.524 -0.610 25600 7390 1 18 . 1 1 22 22 GLN H H 22 8.223 8.223 8.357 -0.134 25600 7391 1 18 . 1 1 23 23 GLU N N 23 118.125 118.125 122.758 -4.633 25600 7392 1 18 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.584 -0.021 25600 7393 1 18 . 1 1 23 23 GLU CA C 23 52.867 52.867 54.900 -2.033 25600 7394 1 18 . 1 1 23 23 GLU CB C 23 32.874 32.874 32.598 0.276 25600 7395 1 18 . 1 1 23 23 GLU H H 23 8.188 8.188 8.260 -0.072 25600 7396 1 18 . 1 1 24 24 ASN N N 24 125.841 125.841 122.496 3.345 25600 7397 1 18 . 1 1 24 24 ASN HA H 24 4.778 4.778 4.657 0.121 25600 7398 1 18 . 1 1 24 24 ASN CA C 24 52.511 52.511 53.355 -0.844 25600 7399 1 18 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.020 0.726 25600 7400 1 18 . 1 1 24 24 ASN H H 24 9.391 9.391 8.455 0.936 25600 7401 1 18 . 1 1 25 25 PHE N N 25 122.823 122.823 121.374 1.449 25600 7402 1 18 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.448 0.203 25600 7403 1 18 . 1 1 25 25 PHE CA C 25 57.123 57.123 57.175 -0.052 25600 7404 1 18 . 1 1 25 25 PHE CB C 25 39.059 39.059 40.777 -1.718 25600 7405 1 18 . 1 1 25 25 PHE H H 25 8.062 8.062 8.305 -0.243 25600 7406 1 18 . 1 1 26 26 LYS N N 26 119.114 119.114 121.240 -2.126 25600 7407 1 18 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.706 0.538 25600 7408 1 18 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.400 -2.424 25600 7409 1 18 . 1 1 26 26 LYS CB C 26 34.661 34.661 36.032 -1.371 25600 7410 1 18 . 1 1 26 26 LYS H H 26 9.255 9.255 8.661 0.594 25600 7411 1 18 . 1 1 27 27 ALA N N 27 125.586 125.586 128.348 -2.762 25600 7412 1 18 . 1 1 27 27 ALA HA H 27 5.262 5.262 4.945 0.317 25600 7413 1 18 . 1 1 27 27 ALA CA C 27 48.817 48.817 50.837 -2.020 25600 7414 1 18 . 1 1 27 27 ALA CB C 27 21.160 21.160 22.037 -0.877 25600 7415 1 18 . 1 1 27 27 ALA H H 27 9.120 9.120 8.971 0.149 25600 7416 1 18 . 1 1 28 28 THR N N 28 120.627 120.627 119.727 0.900 25600 7417 1 18 . 1 1 28 28 THR HA H 28 4.837 4.837 4.793 0.044 25600 7418 1 18 . 1 1 28 28 THR CA C 28 60.566 60.566 61.447 -0.881 25600 7419 1 18 . 1 1 28 28 THR CB C 28 69.478 69.478 70.808 -1.330 25600 7420 1 18 . 1 1 28 28 THR H H 28 9.062 9.062 8.253 0.809 25600 7421 1 18 . 1 1 29 29 GLY N N 29 115.788 115.788 113.111 2.677 25600 7422 1 18 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.715 0.601 25600 7423 1 18 . 1 1 29 29 GLY H H 29 9.663 9.663 9.425 0.238 25600 7424 1 18 . 1 1 30 30 ILE N N 30 123.085 123.085 124.055 -0.970 25600 7425 1 18 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.859 -0.081 25600 7426 1 18 . 1 1 30 30 ILE CA C 30 59.388 59.388 60.577 -1.189 25600 7427 1 18 . 1 1 30 30 ILE CB C 30 36.883 36.883 40.558 -3.675 25600 7428 1 18 . 1 1 30 30 ILE H H 30 7.914 7.914 8.763 -0.849 25600 7429 1 18 . 1 1 31 31 PHE N N 31 125.209 125.209 127.801 -2.592 25600 7430 1 18 . 1 1 31 31 PHE HA H 31 5.370 5.370 4.866 0.504 25600 7431 1 18 . 1 1 31 31 PHE CA C 31 56.487 56.487 57.127 -0.640 25600 7432 1 18 . 1 1 31 31 PHE CB C 31 41.153 41.153 43.270 -2.117 25600 7433 1 18 . 1 1 31 31 PHE H H 31 8.316 8.316 8.278 0.038 25600 7434 1 18 . 1 1 32 32 THR N N 32 113.843 113.843 118.279 -4.436 25600 7435 1 18 . 1 1 32 32 THR HA H 32 4.404 4.404 4.117 0.287 25600 7436 1 18 . 1 1 32 32 THR CA C 32 64.157 64.157 65.750 -1.593 25600 7437 1 18 . 1 1 32 32 THR CB C 32 68.540 68.540 68.939 -0.399 25600 7438 1 18 . 1 1 32 32 THR H H 32 9.335 9.335 8.777 0.558 25600 7439 1 18 . 1 1 33 33 ASP N N 33 118.800 118.800 117.034 1.766 25600 7440 1 18 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.722 -0.101 25600 7441 1 18 . 1 1 33 33 ASP CA C 33 51.963 51.963 54.007 -2.044 25600 7442 1 18 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.253 -1.759 25600 7443 1 18 . 1 1 33 33 ASP H H 33 7.689 7.689 8.557 -0.868 25600 7444 1 18 . 1 1 34 34 ASN N N 34 112.995 112.995 117.553 -4.558 25600 7445 1 18 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.816 -0.468 25600 7446 1 18 . 1 1 34 34 ASN CA C 34 54.346 54.346 52.968 1.377 25600 7447 1 18 . 1 1 34 34 ASN CB C 34 36.490 36.490 40.581 -4.090 25600 7448 1 18 . 1 1 34 34 ASN H H 34 8.370 8.370 7.620 0.750 25600 7449 1 18 . 1 1 35 35 SER N N 35 115.545 115.545 114.866 0.679 25600 7450 1 18 . 1 1 35 35 SER HA H 35 4.413 4.413 3.921 0.492 25600 7451 1 18 . 1 1 35 35 SER CA C 35 57.882 57.882 61.558 -3.676 25600 7452 1 18 . 1 1 35 35 SER CB C 35 63.770 63.770 62.671 1.099 25600 7453 1 18 . 1 1 35 35 SER H H 35 7.990 7.990 8.518 -0.528 25600 7454 1 18 . 1 1 36 36 ASN N N 36 116.053 116.053 120.139 -4.086 25600 7455 1 18 . 1 1 36 36 ASN HA H 36 2.890 2.890 5.420 -2.530 25600 7456 1 18 . 1 1 36 36 ASN CA C 36 50.674 50.674 53.129 -2.455 25600 7457 1 18 . 1 1 36 36 ASN CB C 36 41.799 41.799 42.193 -0.394 25600 7458 1 18 . 1 1 36 36 ASN H H 36 8.518 8.518 8.046 0.472 25600 7459 1 18 . 1 1 37 37 SER N N 37 113.191 113.191 115.957 -2.766 25600 7460 1 18 . 1 1 37 37 SER HA H 37 4.715 4.715 4.758 -0.043 25600 7461 1 18 . 1 1 37 37 SER CA C 37 56.801 56.801 57.508 -0.707 25600 7462 1 18 . 1 1 37 37 SER CB C 37 64.872 64.872 66.406 -1.534 25600 7463 1 18 . 1 1 37 37 SER H H 37 8.667 8.667 9.136 -0.469 25600 7464 1 18 . 1 1 38 38 ASP N N 38 123.962 123.962 121.688 2.274 25600 7465 1 18 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.792 0.195 25600 7466 1 18 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.675 0.526 25600 7467 1 18 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.523 -1.594 25600 7468 1 18 . 1 1 38 38 ASP H H 38 8.848 8.848 8.573 0.275 25600 7469 1 18 . 1 1 39 39 ILE N N 39 121.216 121.216 124.618 -3.402 25600 7470 1 18 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.812 1.059 25600 7471 1 18 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.335 -2.628 25600 7472 1 18 . 1 1 39 39 ILE CB C 39 37.086 37.086 37.514 -0.429 25600 7473 1 18 . 1 1 39 39 ILE H H 39 8.815 8.815 8.437 0.378 25600 7474 1 18 . 1 1 40 40 THR N N 40 122.867 122.867 115.182 7.685 25600 7475 1 18 . 1 1 40 40 THR HA H 40 4.288 4.288 4.071 0.217 25600 7476 1 18 . 1 1 40 40 THR CB C 40 68.527 68.527 68.763 -0.236 25600 7477 1 18 . 1 1 40 40 THR H H 40 8.679 8.679 8.232 0.447 25600 7478 1 18 . 1 1 41 41 ASP N N 41 114.081 114.081 119.050 -4.969 25600 7479 1 18 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.860 -1.162 25600 7480 1 18 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.038 -0.560 25600 7481 1 18 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.530 -1.812 25600 7482 1 18 . 1 1 41 41 ASP H H 41 8.539 8.539 8.418 0.121 25600 7483 1 18 . 1 1 42 42 GLN N N 42 117.087 117.087 116.119 0.968 25600 7484 1 18 . 1 1 42 42 GLN HA H 42 4.151 4.151 3.978 0.173 25600 7485 1 18 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.061 -0.525 25600 7486 1 18 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.312 2.904 25600 7487 1 18 . 1 1 42 42 GLN H H 42 7.718 7.718 7.376 0.342 25600 7488 1 18 . 1 1 43 43 VAL N N 43 109.916 109.916 123.628 -13.712 25600 7489 1 18 . 1 1 43 43 VAL HA H 43 4.089 4.089 4.414 -0.325 25600 7490 1 18 . 1 1 43 43 VAL CA C 43 58.840 58.840 60.081 -1.241 25600 7491 1 18 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.532 -1.259 25600 7492 1 18 . 1 1 43 43 VAL H H 43 6.902 6.902 8.173 -1.271 25600 7493 1 18 . 1 1 44 44 THR N N 44 116.272 116.272 125.231 -8.959 25600 7494 1 18 . 1 1 44 44 THR HA H 44 4.315 4.315 4.542 -0.227 25600 7495 1 18 . 1 1 44 44 THR CA C 44 61.651 61.651 61.357 0.294 25600 7496 1 18 . 1 1 44 44 THR CB C 44 68.890 68.890 69.635 -0.745 25600 7497 1 18 . 1 1 44 44 THR H H 44 8.787 8.787 7.684 1.103 25600 7498 1 18 . 1 1 45 45 TRP N N 45 132.098 132.098 128.883 3.215 25600 7499 1 18 . 1 1 45 45 TRP HA H 45 5.245 5.245 4.981 0.265 25600 7500 1 18 . 1 1 45 45 TRP CA C 45 55.387 55.387 56.188 -0.801 25600 7501 1 18 . 1 1 45 45 TRP CB C 45 30.077 30.077 30.882 -0.805 25600 7502 1 18 . 1 1 45 45 TRP H H 45 10.351 10.351 8.233 2.118 25600 7503 1 18 . 1 1 46 46 ASP N N 46 121.897 121.897 121.715 0.182 25600 7504 1 18 . 1 1 46 46 ASP HA H 46 4.857 4.857 5.047 -0.190 25600 7505 1 18 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.806 -1.009 25600 7506 1 18 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.296 -0.221 25600 7507 1 18 . 1 1 46 46 ASP H H 46 9.471 9.471 8.899 0.572 25600 7508 1 18 . 1 1 47 47 SER N N 47 113.805 113.805 117.017 -3.212 25600 7509 1 18 . 1 1 47 47 SER HA H 47 5.043 5.043 5.259 -0.216 25600 7510 1 18 . 1 1 47 47 SER CA C 47 53.059 53.059 55.926 -2.867 25600 7511 1 18 . 1 1 47 47 SER CB C 47 64.880 64.880 64.551 0.329 25600 7512 1 18 . 1 1 47 47 SER H H 47 8.502 8.502 8.563 -0.061 25600 7513 1 18 . 1 1 48 48 SER N N 48 119.614 119.614 120.664 -1.050 25600 7514 1 18 . 1 1 48 48 SER HA H 48 4.264 4.264 4.316 -0.052 25600 7515 1 18 . 1 1 48 48 SER CA C 48 59.404 59.404 60.143 -0.739 25600 7516 1 18 . 1 1 48 48 SER CB C 48 62.026 62.026 63.616 -1.590 25600 7517 1 18 . 1 1 48 48 SER H H 48 8.517 8.517 8.855 -0.338 25600 7518 1 18 . 1 1 49 49 ASN N N 49 118.260 118.260 116.937 1.323 25600 7519 1 18 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.547 0.351 25600 7520 1 18 . 1 1 49 49 ASN CA C 49 52.841 52.841 53.782 -0.942 25600 7521 1 18 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.604 -0.884 25600 7522 1 18 . 1 1 49 49 ASN H H 49 7.816 7.816 7.808 0.008 25600 7523 1 18 . 1 1 50 50 THR N N 50 119.288 119.288 118.686 0.602 25600 7524 1 18 . 1 1 50 50 THR HA H 50 4.541 4.541 4.448 0.093 25600 7525 1 18 . 1 1 50 50 THR CA C 50 62.137 62.137 63.115 -0.978 25600 7526 1 18 . 1 1 50 50 THR CB C 50 67.100 67.100 69.296 -2.196 25600 7527 1 18 . 1 1 50 50 THR H H 50 9.049 9.049 8.153 0.896 25600 7528 1 18 . 1 1 51 51 ASP N N 51 118.825 118.825 118.999 -0.174 25600 7529 1 18 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.797 -0.211 25600 7530 1 18 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.524 0.166 25600 7531 1 18 . 1 1 51 51 ASP CB C 51 39.658 39.658 43.115 -3.457 25600 7532 1 18 . 1 1 51 51 ASP H H 51 8.251 8.251 7.974 0.277 25600 7533 1 18 . 1 1 52 52 ILE N N 52 118.411 118.411 120.749 -2.338 25600 7534 1 18 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.315 -0.390 25600 7535 1 18 . 1 1 52 52 ILE CA C 52 61.681 61.681 60.948 0.733 25600 7536 1 18 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.073 -0.177 25600 7537 1 18 . 1 1 52 52 ILE H H 52 7.169 7.169 7.776 -0.607 25600 7538 1 18 . 1 1 53 53 LEU N N 53 120.126 120.126 123.240 -3.114 25600 7539 1 18 . 1 1 53 53 LEU HA H 53 5.021 5.021 5.178 -0.157 25600 7540 1 18 . 1 1 53 53 LEU CA C 53 53.281 53.281 54.085 -0.804 25600 7541 1 18 . 1 1 53 53 LEU CB C 53 46.405 46.405 44.833 1.572 25600 7542 1 18 . 1 1 53 53 LEU H H 53 7.876 7.876 8.246 -0.370 25600 7543 1 18 . 1 1 54 54 SER N N 54 122.252 122.252 116.563 5.689 25600 7544 1 18 . 1 1 54 54 SER HA H 54 4.959 4.959 4.796 0.163 25600 7545 1 18 . 1 1 54 54 SER CA C 54 54.724 54.724 57.196 -2.472 25600 7546 1 18 . 1 1 54 54 SER CB C 54 64.417 64.417 65.815 -1.398 25600 7547 1 18 . 1 1 54 54 SER H H 54 8.650 8.650 8.561 0.089 25600 7548 1 18 . 1 1 55 55 ILE N N 55 123.973 123.973 124.595 -0.622 25600 7549 1 18 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.337 0.564 25600 7550 1 18 . 1 1 55 55 ILE CA C 55 58.868 58.868 59.510 -0.642 25600 7551 1 18 . 1 1 55 55 ILE CB C 55 41.418 41.418 38.799 2.619 25600 7552 1 18 . 1 1 55 55 ILE H H 55 9.081 9.081 8.375 0.706 25600 7553 1 18 . 1 1 56 56 SER N N 56 119.540 119.540 121.911 -2.371 25600 7554 1 18 . 1 1 56 56 SER HA H 56 4.387 4.387 4.667 -0.280 25600 7555 1 18 . 1 1 56 56 SER CA C 56 56.626 56.626 57.030 -0.404 25600 7556 1 18 . 1 1 56 56 SER CB C 56 63.106 63.106 65.325 -2.219 25600 7557 1 18 . 1 1 56 56 SER H H 56 7.905 7.905 8.671 -0.766 25600 7558 1 18 . 1 1 57 57 ASN N N 57 124.207 124.207 119.583 4.624 25600 7559 1 18 . 1 1 57 57 ASN HA H 57 5.019 5.019 4.933 0.086 25600 7560 1 18 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.013 -0.544 25600 7561 1 18 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.072 1.018 25600 7562 1 18 . 1 1 57 57 ASN H H 57 8.945 8.945 8.519 0.426 25600 7563 1 18 . 1 1 58 58 ALA N N 58 124.301 124.301 123.979 0.322 25600 7564 1 18 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.522 -0.389 25600 7565 1 18 . 1 1 58 58 ALA CA C 58 51.287 51.287 50.911 0.376 25600 7566 1 18 . 1 1 58 58 ALA CB C 58 18.354 18.354 20.112 -1.758 25600 7567 1 18 . 1 1 58 58 ALA H H 58 8.150 8.150 8.168 -0.018 25600 7568 1 18 . 1 1 59 59 SER N N 59 113.299 113.299 112.163 1.136 25600 7569 1 18 . 1 1 59 59 SER HA H 59 4.698 4.698 4.310 0.388 25600 7570 1 18 . 1 1 59 59 SER CA C 59 60.003 60.003 60.221 -0.218 25600 7571 1 18 . 1 1 59 59 SER CB C 59 62.574 62.574 63.577 -1.003 25600 7572 1 18 . 1 1 59 59 SER H H 59 8.377 8.377 8.445 -0.068 25600 7573 1 18 . 1 1 60 60 ASP N N 60 116.275 116.275 117.928 -1.653 25600 7574 1 18 . 1 1 60 60 ASP HA H 60 4.661 4.661 4.826 -0.165 25600 7575 1 18 . 1 1 60 60 ASP CA C 60 52.769 52.769 54.042 -1.273 25600 7576 1 18 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.993 -2.281 25600 7577 1 18 . 1 1 60 60 ASP H H 60 8.311 8.311 8.047 0.264 25600 7578 1 18 . 1 1 61 61 SER N N 61 112.650 112.650 114.989 -2.339 25600 7579 1 18 . 1 1 61 61 SER HA H 61 4.630 4.630 4.650 -0.020 25600 7580 1 18 . 1 1 61 61 SER CA C 61 56.180 56.180 57.606 -1.426 25600 7581 1 18 . 1 1 61 61 SER CB C 61 61.843 61.843 63.429 -1.586 25600 7582 1 18 . 1 1 61 61 SER H H 61 7.588 7.588 7.852 -0.264 25600 7583 1 18 . 1 1 62 62 HIS N N 62 119.790 119.790 119.975 -0.185 25600 7584 1 18 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.313 -0.266 25600 7585 1 18 . 1 1 62 62 HIS CA C 62 56.919 56.919 56.209 0.710 25600 7586 1 18 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.178 -2.654 25600 7587 1 18 . 1 1 62 62 HIS H H 62 8.029 8.029 8.530 -0.501 25600 7588 1 18 . 1 1 63 63 GLY N N 63 113.301 113.301 109.604 3.697 25600 7589 1 18 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.166 -0.513 25600 7590 1 18 . 1 1 63 63 GLY H H 63 8.733 8.733 8.399 0.334 25600 7591 1 18 . 1 1 64 64 LEU N N 64 120.664 120.664 114.177 6.487 25600 7592 1 18 . 1 1 64 64 LEU HA H 64 4.386 4.386 4.611 -0.225 25600 7593 1 18 . 1 1 64 64 LEU CA C 64 54.893 54.893 54.596 0.297 25600 7594 1 18 . 1 1 64 64 LEU CB C 64 41.463 41.463 44.542 -3.079 25600 7595 1 18 . 1 1 64 64 LEU H H 64 7.679 7.679 7.354 0.325 25600 7596 1 18 . 1 1 65 65 ALA N N 65 108.346 108.346 125.738 -17.392 25600 7597 1 18 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.519 0.883 25600 7598 1 18 . 1 1 65 65 ALA CA C 65 49.267 49.267 51.817 -2.550 25600 7599 1 18 . 1 1 65 65 ALA CB C 65 21.555 21.555 18.712 2.843 25600 7600 1 18 . 1 1 65 65 ALA H H 65 9.874 9.874 8.508 1.366 25600 7601 1 18 . 1 1 66 66 SER N N 66 115.951 115.951 121.690 -5.739 25600 7602 1 18 . 1 1 66 66 SER HA H 66 4.909 4.909 5.347 -0.438 25600 7603 1 18 . 1 1 66 66 SER CA C 66 56.645 56.645 57.032 -0.387 25600 7604 1 18 . 1 1 66 66 SER CB C 66 63.823 63.823 64.593 -0.770 25600 7605 1 18 . 1 1 66 66 SER H H 66 8.938 8.938 8.617 0.321 25600 7606 1 18 . 1 1 67 67 THR N N 67 113.596 113.596 116.885 -3.289 25600 7607 1 18 . 1 1 67 67 THR HA H 67 4.649 4.649 4.866 -0.217 25600 7608 1 18 . 1 1 67 67 THR CA C 67 59.216 59.216 60.542 -1.327 25600 7609 1 18 . 1 1 67 67 THR CB C 67 69.006 69.006 72.045 -3.039 25600 7610 1 18 . 1 1 67 67 THR H H 67 8.258 8.258 9.029 -0.771 25600 7611 1 18 . 1 1 68 68 LEU N N 68 124.151 124.151 117.231 6.920 25600 7612 1 18 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.867 -0.511 25600 7613 1 18 . 1 1 68 68 LEU CA C 68 55.112 55.112 55.059 0.053 25600 7614 1 18 . 1 1 68 68 LEU CB C 68 42.915 42.915 41.562 1.353 25600 7615 1 18 . 1 1 68 68 LEU H H 68 8.616 8.616 7.841 0.775 25600 7616 1 18 . 1 1 69 69 ASN N N 69 115.821 115.821 116.328 -0.507 25600 7617 1 18 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.863 -0.219 25600 7618 1 18 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.686 -0.230 25600 7619 1 18 . 1 1 69 69 ASN CB C 69 42.306 42.306 41.251 1.055 25600 7620 1 18 . 1 1 69 69 ASN H H 69 7.965 7.965 7.747 0.218 25600 7621 1 18 . 1 1 70 70 GLN N N 70 114.564 114.564 118.479 -3.915 25600 7622 1 18 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.746 -0.821 25600 7623 1 18 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.288 -0.051 25600 7624 1 18 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.805 0.201 25600 7625 1 18 . 1 1 70 70 GLN H H 70 8.287 8.287 8.690 -0.403 25600 7626 1 18 . 1 1 71 71 GLY N N 71 108.006 108.006 108.275 -0.269 25600 7627 1 18 . 1 1 71 71 GLY CA C 71 43.686 43.686 44.972 -1.286 25600 7628 1 18 . 1 1 71 71 GLY H H 71 8.520 8.520 7.918 0.602 25600 7629 1 18 . 1 1 72 72 ASN N N 72 117.785 117.785 118.257 -0.472 25600 7630 1 18 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.178 0.295 25600 7631 1 18 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.197 -0.506 25600 7632 1 18 . 1 1 72 72 ASN CB C 72 39.896 39.896 40.229 -0.333 25600 7633 1 18 . 1 1 72 72 ASN H H 72 8.420 8.420 8.398 0.022 25600 7634 1 18 . 1 1 73 73 VAL N N 73 115.848 115.848 116.120 -0.272 25600 7635 1 18 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.671 -0.140 25600 7636 1 18 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.418 -0.443 25600 7637 1 18 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.316 -0.137 25600 7638 1 18 . 1 1 73 73 VAL H H 73 8.990 8.990 9.177 -0.187 25600 7639 1 18 . 1 1 74 74 LYS N N 74 123.195 123.195 122.672 0.523 25600 7640 1 18 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.847 0.309 25600 7641 1 18 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.612 -0.731 25600 7642 1 18 . 1 1 74 74 LYS CB C 74 33.597 33.597 35.067 -1.470 25600 7643 1 18 . 1 1 74 74 LYS H H 74 8.715 8.715 8.663 0.052 25600 7644 1 18 . 1 1 75 75 VAL N N 75 129.522 129.522 127.125 2.397 25600 7645 1 18 . 1 1 75 75 VAL HA H 75 4.542 4.542 5.263 -0.721 25600 7646 1 18 . 1 1 75 75 VAL CA C 75 60.816 60.816 60.938 -0.122 25600 7647 1 18 . 1 1 75 75 VAL CB C 75 32.483 32.483 33.084 -0.601 25600 7648 1 18 . 1 1 75 75 VAL H H 75 8.975 8.975 8.680 0.295 25600 7649 1 18 . 1 1 76 76 THR N N 76 120.548 120.548 123.101 -2.553 25600 7650 1 18 . 1 1 76 76 THR HA H 76 5.066 5.066 4.822 0.244 25600 7651 1 18 . 1 1 76 76 THR CA C 76 59.783 59.783 60.694 -0.911 25600 7652 1 18 . 1 1 76 76 THR CB C 76 70.733 70.733 71.870 -1.137 25600 7653 1 18 . 1 1 76 76 THR H H 76 8.650 8.650 8.934 -0.284 25600 7654 1 18 . 1 1 77 77 ALA N N 77 126.454 126.454 125.005 1.449 25600 7655 1 18 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.141 -0.761 25600 7656 1 18 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.602 -2.172 25600 7657 1 18 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.074 -1.530 25600 7658 1 18 . 1 1 77 77 ALA H H 77 8.674 8.674 8.337 0.337 25600 7659 1 18 . 1 1 78 78 SER N N 78 113.568 113.568 115.347 -1.779 25600 7660 1 18 . 1 1 78 78 SER HA H 78 5.376 5.376 4.719 0.657 25600 7661 1 18 . 1 1 78 78 SER CA C 78 56.077 56.077 57.339 -1.262 25600 7662 1 18 . 1 1 78 78 SER CB C 78 65.730 65.730 65.638 0.092 25600 7663 1 18 . 1 1 78 78 SER H H 78 8.117 8.117 7.919 0.198 25600 7664 1 18 . 1 1 79 79 ILE N N 79 121.071 121.071 125.099 -4.028 25600 7665 1 18 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.317 -0.176 25600 7666 1 18 . 1 1 79 79 ILE CA C 79 61.124 61.124 59.785 1.339 25600 7667 1 18 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.977 -2.168 25600 7668 1 18 . 1 1 79 79 ILE H H 79 8.446 8.446 7.575 0.871 25600 7669 1 18 . 1 1 80 80 GLY N N 80 117.157 117.157 116.385 0.772 25600 7670 1 18 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.678 -0.672 25600 7671 1 18 . 1 1 80 80 GLY H H 80 8.899 8.899 8.451 0.448 25600 7672 1 18 . 1 1 81 81 GLY N N 81 110.716 110.716 110.965 -0.249 25600 7673 1 18 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.920 -0.542 25600 7674 1 18 . 1 1 81 81 GLY H H 81 8.742 8.742 8.238 0.504 25600 7675 1 18 . 1 1 82 82 ILE N N 82 124.112 124.112 121.745 2.367 25600 7676 1 18 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.250 -0.050 25600 7677 1 18 . 1 1 82 82 ILE CA C 82 59.033 59.033 61.068 -2.035 25600 7678 1 18 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.505 -1.728 25600 7679 1 18 . 1 1 82 82 ILE H H 82 8.188 8.188 7.841 0.347 25600 7680 1 18 . 1 1 83 83 GLN N N 83 122.453 122.453 121.293 1.160 25600 7681 1 18 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.964 0.431 25600 7682 1 18 . 1 1 83 83 GLN CA C 83 53.020 53.020 53.928 -0.908 25600 7683 1 18 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.883 -0.367 25600 7684 1 18 . 1 1 83 83 GLN H H 83 8.423 8.423 8.189 0.234 25600 7685 1 18 . 1 1 84 84 GLY N N 84 111.437 111.437 108.016 3.421 25600 7686 1 18 . 1 1 84 84 GLY CA C 84 43.698 43.698 44.345 -0.647 25600 7687 1 18 . 1 1 84 84 GLY H H 84 8.931 8.931 8.139 0.792 25600 7688 1 18 . 1 1 85 85 SER N N 85 113.877 113.877 115.474 -1.597 25600 7689 1 18 . 1 1 85 85 SER HA H 85 5.841 5.841 4.933 0.908 25600 7690 1 18 . 1 1 85 85 SER CA C 85 56.264 56.264 56.952 -0.688 25600 7691 1 18 . 1 1 85 85 SER CB C 85 66.946 66.946 65.947 0.999 25600 7692 1 18 . 1 1 85 85 SER H H 85 8.710 8.710 8.394 0.316 25600 7693 1 18 . 1 1 86 86 THR N N 86 115.389 115.389 117.238 -1.849 25600 7694 1 18 . 1 1 86 86 THR HA H 86 4.772 4.772 4.721 0.051 25600 7695 1 18 . 1 1 86 86 THR CA C 86 60.313 60.313 61.992 -1.679 25600 7696 1 18 . 1 1 86 86 THR CB C 86 69.953 69.953 72.731 -2.778 25600 7697 1 18 . 1 1 86 86 THR H H 86 8.854 8.854 8.737 0.117 25600 7698 1 18 . 1 1 87 87 ASP N N 87 124.623 124.623 125.349 -0.726 25600 7699 1 18 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.983 0.453 25600 7700 1 18 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.394 0.402 25600 7701 1 18 . 1 1 87 87 ASP CB C 87 42.010 42.010 42.717 -0.707 25600 7702 1 18 . 1 1 87 87 ASP H H 87 7.953 7.953 8.748 -0.795 25600 7703 1 18 . 1 1 88 88 PHE N N 88 123.577 123.577 125.359 -1.782 25600 7704 1 18 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.204 -0.273 25600 7705 1 18 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.852 0.115 25600 7706 1 18 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.859 -0.975 25600 7707 1 18 . 1 1 88 88 PHE H H 88 9.094 9.094 8.531 0.563 25600 7708 1 18 . 1 1 89 89 LYS N N 89 126.965 126.965 126.444 0.521 25600 7709 1 18 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.951 0.087 25600 7710 1 18 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.372 -1.483 25600 7711 1 18 . 1 1 89 89 LYS CB C 89 34.669 34.669 34.968 -0.299 25600 7712 1 18 . 1 1 89 89 LYS H H 89 7.269 7.269 8.077 -0.808 25600 7713 1 18 . 1 1 90 90 VAL N N 90 126.148 126.148 129.520 -3.372 25600 7714 1 18 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.102 -0.091 25600 7715 1 18 . 1 1 90 90 VAL CA C 90 59.547 59.547 60.745 -1.198 25600 7716 1 18 . 1 1 90 90 VAL CB C 90 30.948 30.948 33.102 -2.154 25600 7717 1 18 . 1 1 90 90 VAL H H 90 9.086 9.086 8.438 0.648 25600 7718 1 18 . 1 1 91 91 THR N N 91 120.506 120.506 118.936 1.570 25600 7719 1 18 . 1 1 91 91 THR HA H 91 4.568 4.568 4.746 -0.178 25600 7720 1 18 . 1 1 91 91 THR CA C 91 59.348 59.348 59.287 0.061 25600 7721 1 18 . 1 1 91 91 THR CB C 91 68.970 68.970 71.504 -2.534 25600 7722 1 18 . 1 1 91 91 THR H H 91 8.757 8.757 7.974 0.783 25600 7723 1 19 . 1 1 2 2 PRO HA H 2 4.277 4.277 4.623 -0.346 25600 7724 1 19 . 1 1 2 2 PRO CA C 2 61.221 61.221 63.293 -2.072 25600 7725 1 19 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.593 -1.177 25600 7726 1 19 . 1 1 3 3 ALA N N 3 123.804 123.804 122.144 1.660 25600 7727 1 19 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.562 -0.356 25600 7728 1 19 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.716 -0.321 25600 7729 1 19 . 1 1 3 3 ALA CB C 3 18.840 18.840 20.898 -2.058 25600 7730 1 19 . 1 1 3 3 ALA H H 3 8.647 8.647 8.088 0.559 25600 7731 1 19 . 1 1 4 4 ALA N N 4 124.059 124.059 121.551 2.508 25600 7732 1 19 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.691 0.018 25600 7733 1 19 . 1 1 4 4 ALA CA C 4 50.022 50.022 51.181 -1.159 25600 7734 1 19 . 1 1 4 4 ALA CB C 4 19.897 19.897 20.907 -1.010 25600 7735 1 19 . 1 1 4 4 ALA H H 4 8.239 8.239 8.296 -0.057 25600 7736 1 19 . 1 1 5 5 LEU N N 5 124.019 124.019 123.610 0.409 25600 7737 1 19 . 1 1 5 5 LEU HA H 5 3.372 3.372 3.516 -0.144 25600 7738 1 19 . 1 1 5 5 LEU CA C 5 55.008 55.008 55.271 -0.263 25600 7739 1 19 . 1 1 5 5 LEU CB C 5 41.242 41.242 41.135 0.108 25600 7740 1 19 . 1 1 5 5 LEU H H 5 8.560 8.560 8.508 0.052 25600 7741 1 19 . 1 1 6 6 VAL N N 6 123.356 123.356 124.445 -1.089 25600 7742 1 19 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.083 0.014 25600 7743 1 19 . 1 1 6 6 VAL CA C 6 62.340 62.340 63.657 -1.317 25600 7744 1 19 . 1 1 6 6 VAL CB C 6 32.948 32.948 32.910 0.038 25600 7745 1 19 . 1 1 6 6 VAL H H 6 9.119 9.119 8.088 1.031 25600 7746 1 19 . 1 1 7 7 SER N N 7 112.134 112.134 110.990 1.144 25600 7747 1 19 . 1 1 7 7 SER HA H 7 4.445 4.445 4.713 -0.268 25600 7748 1 19 . 1 1 7 7 SER CA C 7 56.349 56.349 57.127 -0.778 25600 7749 1 19 . 1 1 7 7 SER CB C 7 64.361 64.361 65.790 -1.429 25600 7750 1 19 . 1 1 7 7 SER H H 7 7.680 7.680 7.540 0.140 25600 7751 1 19 . 1 1 8 8 ILE N N 8 118.674 118.674 116.150 2.524 25600 7752 1 19 . 1 1 8 8 ILE HA H 8 4.673 4.673 4.954 -0.281 25600 7753 1 19 . 1 1 8 8 ILE CA C 8 59.146 59.146 60.071 -0.925 25600 7754 1 19 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.502 -0.828 25600 7755 1 19 . 1 1 8 8 ILE H H 8 8.354 8.354 8.168 0.186 25600 7756 1 19 . 1 1 9 9 SER N N 9 121.318 121.318 120.966 0.352 25600 7757 1 19 . 1 1 9 9 SER HA H 9 4.863 4.863 4.965 -0.102 25600 7758 1 19 . 1 1 9 9 SER CA C 9 55.381 55.381 57.871 -2.490 25600 7759 1 19 . 1 1 9 9 SER CB C 9 64.243 64.243 64.002 0.241 25600 7760 1 19 . 1 1 9 9 SER H H 9 9.028 9.028 8.841 0.187 25600 7761 1 19 . 1 1 10 10 VAL N N 10 127.509 127.509 121.131 6.378 25600 7762 1 19 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.881 0.169 25600 7763 1 19 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.219 0.693 25600 7764 1 19 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.486 -0.099 25600 7765 1 19 . 1 1 10 10 VAL H H 10 8.911 8.911 8.505 0.406 25600 7766 1 19 . 1 1 11 11 SER N N 11 121.861 121.861 122.514 -0.653 25600 7767 1 19 . 1 1 11 11 SER CB C 11 64.373 64.373 63.803 0.570 25600 7768 1 19 . 1 1 11 11 SER H H 11 9.205 9.205 8.502 0.703 25600 7769 1 19 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.488 0.216 25600 7770 1 19 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.488 -1.589 25600 7771 1 19 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.196 1.893 25600 7772 1 19 . 1 1 13 13 THR N N 13 116.138 116.138 116.173 -0.035 25600 7773 1 19 . 1 1 13 13 THR HA H 13 4.770 4.770 4.448 0.322 25600 7774 1 19 . 1 1 13 13 THR CA C 13 60.153 60.153 61.178 -1.025 25600 7775 1 19 . 1 1 13 13 THR CB C 13 69.426 69.426 70.041 -0.615 25600 7776 1 19 . 1 1 13 13 THR H H 13 8.679 8.679 8.370 0.309 25600 7777 1 19 . 1 1 14 14 ASN N N 14 124.457 124.457 125.802 -1.345 25600 7778 1 19 . 1 1 14 14 ASN HA H 14 4.695 4.695 5.077 -0.382 25600 7779 1 19 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.802 0.326 25600 7780 1 19 . 1 1 14 14 ASN CB C 14 36.593 36.593 39.798 -3.205 25600 7781 1 19 . 1 1 14 14 ASN H H 14 8.710 8.710 8.709 0.001 25600 7782 1 19 . 1 1 15 15 SER N N 15 113.673 113.673 119.279 -5.606 25600 7783 1 19 . 1 1 15 15 SER HA H 15 4.648 4.648 4.543 0.105 25600 7784 1 19 . 1 1 15 15 SER CA C 15 55.644 55.644 57.961 -2.317 25600 7785 1 19 . 1 1 15 15 SER CB C 15 63.953 63.953 64.136 -0.183 25600 7786 1 19 . 1 1 15 15 SER H H 15 9.127 9.127 8.309 0.818 25600 7787 1 19 . 1 1 16 16 THR N N 16 113.579 113.579 114.712 -1.133 25600 7788 1 19 . 1 1 16 16 THR HA H 16 4.976 4.976 4.663 0.313 25600 7789 1 19 . 1 1 16 16 THR CA C 16 58.445 58.445 60.149 -1.704 25600 7790 1 19 . 1 1 16 16 THR CB C 16 70.534 70.534 69.940 0.594 25600 7791 1 19 . 1 1 16 16 THR H H 16 7.962 7.962 8.093 -0.131 25600 7792 1 19 . 1 1 17 17 VAL N N 17 121.479 121.479 124.616 -3.137 25600 7793 1 19 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.390 -0.070 25600 7794 1 19 . 1 1 17 17 VAL CA C 17 59.937 59.937 60.484 -0.547 25600 7795 1 19 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.607 -0.203 25600 7796 1 19 . 1 1 17 17 VAL H H 17 7.969 7.969 8.821 -0.852 25600 7797 1 19 . 1 1 18 18 ALA N N 18 126.014 126.014 127.260 -1.246 25600 7798 1 19 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.378 -0.203 25600 7799 1 19 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.924 -0.961 25600 7800 1 19 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.650 -0.728 25600 7801 1 19 . 1 1 18 18 ALA H H 18 7.756 7.756 8.293 -0.537 25600 7802 1 19 . 1 1 19 19 LYS N N 19 119.741 119.741 121.590 -1.849 25600 7803 1 19 . 1 1 19 19 LYS HA H 19 3.487 3.487 3.967 -0.480 25600 7804 1 19 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.455 0.317 25600 7805 1 19 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.802 -1.200 25600 7806 1 19 . 1 1 19 19 LYS H H 19 7.893 7.893 8.238 -0.345 25600 7807 1 19 . 1 1 20 20 GLY N N 20 116.709 116.709 113.515 3.194 25600 7808 1 19 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.131 -1.368 25600 7809 1 19 . 1 1 20 20 GLY H H 20 8.615 8.615 8.737 -0.122 25600 7810 1 19 . 1 1 21 21 LEU N N 21 123.004 123.004 124.366 -1.362 25600 7811 1 19 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.593 -0.005 25600 7812 1 19 . 1 1 21 21 LEU CA C 21 53.365 53.365 55.146 -1.781 25600 7813 1 19 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.029 -5.067 25600 7814 1 19 . 1 1 21 21 LEU H H 21 8.013 8.013 7.722 0.291 25600 7815 1 19 . 1 1 22 22 GLN N N 22 117.504 117.504 117.722 -0.218 25600 7816 1 19 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.281 -0.153 25600 7817 1 19 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.753 -1.084 25600 7818 1 19 . 1 1 22 22 GLN CB C 22 30.914 30.914 32.523 -1.609 25600 7819 1 19 . 1 1 22 22 GLN H H 22 8.223 8.223 8.475 -0.252 25600 7820 1 19 . 1 1 23 23 GLU N N 23 118.125 118.125 122.055 -3.930 25600 7821 1 19 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.743 -0.180 25600 7822 1 19 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.291 -2.424 25600 7823 1 19 . 1 1 23 23 GLU CB C 23 32.874 32.874 33.092 -0.218 25600 7824 1 19 . 1 1 23 23 GLU H H 23 8.188 8.188 8.775 -0.587 25600 7825 1 19 . 1 1 24 24 ASN N N 24 125.841 125.841 125.191 0.650 25600 7826 1 19 . 1 1 24 24 ASN HA H 24 4.778 4.778 5.221 -0.443 25600 7827 1 19 . 1 1 24 24 ASN CA C 24 52.511 52.511 53.795 -1.284 25600 7828 1 19 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.572 0.174 25600 7829 1 19 . 1 1 24 24 ASN H H 24 9.391 9.391 8.764 0.627 25600 7830 1 19 . 1 1 25 25 PHE N N 25 122.823 122.823 119.854 2.969 25600 7831 1 19 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.909 -0.258 25600 7832 1 19 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.201 0.922 25600 7833 1 19 . 1 1 25 25 PHE CB C 25 39.059 39.059 41.204 -2.145 25600 7834 1 19 . 1 1 25 25 PHE H H 25 8.062 8.062 8.660 -0.598 25600 7835 1 19 . 1 1 26 26 LYS N N 26 119.114 119.114 119.463 -0.349 25600 7836 1 19 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.356 0.888 25600 7837 1 19 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.360 -2.384 25600 7838 1 19 . 1 1 26 26 LYS CB C 26 34.661 34.661 36.753 -2.092 25600 7839 1 19 . 1 1 26 26 LYS H H 26 9.255 9.255 8.768 0.487 25600 7840 1 19 . 1 1 27 27 ALA N N 27 125.586 125.586 125.840 -0.254 25600 7841 1 19 . 1 1 27 27 ALA HA H 27 5.262 5.262 4.953 0.309 25600 7842 1 19 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.031 -2.214 25600 7843 1 19 . 1 1 27 27 ALA CB C 27 21.160 21.160 21.791 -0.631 25600 7844 1 19 . 1 1 27 27 ALA H H 27 9.120 9.120 8.344 0.776 25600 7845 1 19 . 1 1 28 28 THR N N 28 120.627 120.627 119.280 1.347 25600 7846 1 19 . 1 1 28 28 THR HA H 28 4.837 4.837 4.689 0.148 25600 7847 1 19 . 1 1 28 28 THR CA C 28 60.566 60.566 61.486 -0.920 25600 7848 1 19 . 1 1 28 28 THR CB C 28 69.478 69.478 70.814 -1.336 25600 7849 1 19 . 1 1 28 28 THR H H 28 9.062 9.062 8.440 0.622 25600 7850 1 19 . 1 1 29 29 GLY N N 29 115.788 115.788 113.335 2.453 25600 7851 1 19 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.807 0.509 25600 7852 1 19 . 1 1 29 29 GLY H H 29 9.663 9.663 9.274 0.389 25600 7853 1 19 . 1 1 30 30 ILE N N 30 123.085 123.085 124.245 -1.160 25600 7854 1 19 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.697 0.081 25600 7855 1 19 . 1 1 30 30 ILE CA C 30 59.388 59.388 60.130 -0.742 25600 7856 1 19 . 1 1 30 30 ILE CB C 30 36.883 36.883 41.452 -4.569 25600 7857 1 19 . 1 1 30 30 ILE H H 30 7.914 7.914 9.103 -1.189 25600 7858 1 19 . 1 1 31 31 PHE N N 31 125.209 125.209 124.126 1.083 25600 7859 1 19 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.117 0.253 25600 7860 1 19 . 1 1 31 31 PHE CA C 31 56.487 56.487 56.322 0.165 25600 7861 1 19 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.291 -1.138 25600 7862 1 19 . 1 1 31 31 PHE H H 31 8.316 8.316 8.830 -0.514 25600 7863 1 19 . 1 1 32 32 THR N N 32 113.843 113.843 118.135 -4.292 25600 7864 1 19 . 1 1 32 32 THR HA H 32 4.404 4.404 4.139 0.265 25600 7865 1 19 . 1 1 32 32 THR CA C 32 64.157 64.157 66.036 -1.879 25600 7866 1 19 . 1 1 32 32 THR CB C 32 68.540 68.540 68.880 -0.340 25600 7867 1 19 . 1 1 32 32 THR H H 32 9.335 9.335 8.978 0.357 25600 7868 1 19 . 1 1 33 33 ASP N N 33 118.800 118.800 120.477 -1.677 25600 7869 1 19 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.647 -0.026 25600 7870 1 19 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.255 -1.292 25600 7871 1 19 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.218 -1.724 25600 7872 1 19 . 1 1 33 33 ASP H H 33 7.689 7.689 8.369 -0.680 25600 7873 1 19 . 1 1 34 34 ASN N N 34 112.995 112.995 113.945 -0.950 25600 7874 1 19 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.373 -0.025 25600 7875 1 19 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.255 0.091 25600 7876 1 19 . 1 1 34 34 ASN CB C 34 36.490 36.490 37.284 -0.794 25600 7877 1 19 . 1 1 34 34 ASN H H 34 8.370 8.370 7.918 0.452 25600 7878 1 19 . 1 1 35 35 SER N N 35 115.545 115.545 114.491 1.054 25600 7879 1 19 . 1 1 35 35 SER HA H 35 4.413 4.413 4.610 -0.197 25600 7880 1 19 . 1 1 35 35 SER CA C 35 57.882 57.882 57.377 0.505 25600 7881 1 19 . 1 1 35 35 SER CB C 35 63.770 63.770 64.181 -0.411 25600 7882 1 19 . 1 1 35 35 SER H H 35 7.990 7.990 8.009 -0.019 25600 7883 1 19 . 1 1 36 36 ASN N N 36 116.053 116.053 124.281 -8.228 25600 7884 1 19 . 1 1 36 36 ASN HA H 36 2.890 2.890 5.092 -2.202 25600 7885 1 19 . 1 1 36 36 ASN CA C 36 50.674 50.674 53.265 -2.591 25600 7886 1 19 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.021 1.778 25600 7887 1 19 . 1 1 36 36 ASN H H 36 8.518 8.518 8.611 -0.093 25600 7888 1 19 . 1 1 37 37 SER N N 37 113.191 113.191 115.943 -2.752 25600 7889 1 19 . 1 1 37 37 SER HA H 37 4.715 4.715 4.767 -0.052 25600 7890 1 19 . 1 1 37 37 SER CA C 37 56.801 56.801 57.272 -0.471 25600 7891 1 19 . 1 1 37 37 SER CB C 37 64.872 64.872 65.926 -1.054 25600 7892 1 19 . 1 1 37 37 SER H H 37 8.667 8.667 8.764 -0.097 25600 7893 1 19 . 1 1 38 38 ASP N N 38 123.962 123.962 120.865 3.097 25600 7894 1 19 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.919 0.068 25600 7895 1 19 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.288 0.913 25600 7896 1 19 . 1 1 38 38 ASP CB C 38 39.929 39.929 40.844 -0.915 25600 7897 1 19 . 1 1 38 38 ASP H H 38 8.848 8.848 8.494 0.354 25600 7898 1 19 . 1 1 39 39 ILE N N 39 121.216 121.216 115.979 5.237 25600 7899 1 19 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.843 1.028 25600 7900 1 19 . 1 1 39 39 ILE CA C 39 59.707 59.707 61.748 -2.042 25600 7901 1 19 . 1 1 39 39 ILE CB C 39 37.086 37.086 35.156 1.930 25600 7902 1 19 . 1 1 39 39 ILE H H 39 8.815 8.815 8.303 0.512 25600 7903 1 19 . 1 1 40 40 THR N N 40 122.867 122.867 116.289 6.578 25600 7904 1 19 . 1 1 40 40 THR HA H 40 4.288 4.288 4.142 0.146 25600 7905 1 19 . 1 1 40 40 THR CB C 40 68.527 68.527 69.004 -0.477 25600 7906 1 19 . 1 1 40 40 THR H H 40 8.679 8.679 8.370 0.309 25600 7907 1 19 . 1 1 41 41 ASP N N 41 114.081 114.081 119.315 -5.234 25600 7908 1 19 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.876 -1.178 25600 7909 1 19 . 1 1 41 41 ASP CA C 41 53.478 53.478 53.763 -0.285 25600 7910 1 19 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.720 -2.002 25600 7911 1 19 . 1 1 41 41 ASP H H 41 8.539 8.539 8.456 0.083 25600 7912 1 19 . 1 1 42 42 GLN N N 42 117.087 117.087 116.949 0.138 25600 7913 1 19 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.045 0.106 25600 7914 1 19 . 1 1 42 42 GLN CA C 42 55.536 55.536 55.894 -0.358 25600 7915 1 19 . 1 1 42 42 GLN CB C 42 30.216 30.216 26.811 3.405 25600 7916 1 19 . 1 1 42 42 GLN H H 42 7.718 7.718 7.485 0.233 25600 7917 1 19 . 1 1 43 43 VAL N N 43 109.916 109.916 120.781 -10.865 25600 7918 1 19 . 1 1 43 43 VAL HA H 43 4.089 4.089 4.142 -0.053 25600 7919 1 19 . 1 1 43 43 VAL CA C 43 58.840 58.840 63.502 -4.662 25600 7920 1 19 . 1 1 43 43 VAL CB C 43 31.273 31.273 31.597 -0.324 25600 7921 1 19 . 1 1 43 43 VAL H H 43 6.902 6.902 8.265 -1.363 25600 7922 1 19 . 1 1 44 44 THR N N 44 116.272 116.272 123.963 -7.691 25600 7923 1 19 . 1 1 44 44 THR HA H 44 4.315 4.315 4.357 -0.042 25600 7924 1 19 . 1 1 44 44 THR CA C 44 61.651 61.651 62.780 -1.129 25600 7925 1 19 . 1 1 44 44 THR CB C 44 68.890 68.890 68.432 0.458 25600 7926 1 19 . 1 1 44 44 THR H H 44 8.787 8.787 8.874 -0.087 25600 7927 1 19 . 1 1 45 45 TRP N N 45 132.098 132.098 126.417 5.681 25600 7928 1 19 . 1 1 45 45 TRP HA H 45 5.245 5.245 5.143 0.102 25600 7929 1 19 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.776 0.611 25600 7930 1 19 . 1 1 45 45 TRP CB C 45 30.077 30.077 30.260 -0.183 25600 7931 1 19 . 1 1 45 45 TRP H H 45 10.351 10.351 8.051 2.300 25600 7932 1 19 . 1 1 46 46 ASP N N 46 121.897 121.897 124.797 -2.900 25600 7933 1 19 . 1 1 46 46 ASP HA H 46 4.857 4.857 5.010 -0.153 25600 7934 1 19 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.644 -0.847 25600 7935 1 19 . 1 1 46 46 ASP CB C 46 45.075 45.075 44.809 0.266 25600 7936 1 19 . 1 1 46 46 ASP H H 46 9.471 9.471 8.131 1.340 25600 7937 1 19 . 1 1 47 47 SER N N 47 113.805 113.805 117.945 -4.140 25600 7938 1 19 . 1 1 47 47 SER HA H 47 5.043 5.043 4.764 0.279 25600 7939 1 19 . 1 1 47 47 SER CA C 47 53.059 53.059 57.069 -4.010 25600 7940 1 19 . 1 1 47 47 SER CB C 47 64.880 64.880 65.163 -0.283 25600 7941 1 19 . 1 1 47 47 SER H H 47 8.502 8.502 8.564 -0.062 25600 7942 1 19 . 1 1 48 48 SER N N 48 119.614 119.614 119.905 -0.291 25600 7943 1 19 . 1 1 48 48 SER HA H 48 4.264 4.264 4.699 -0.435 25600 7944 1 19 . 1 1 48 48 SER CA C 48 59.404 59.404 57.082 2.322 25600 7945 1 19 . 1 1 48 48 SER CB C 48 62.026 62.026 63.119 -1.093 25600 7946 1 19 . 1 1 48 48 SER H H 48 8.517 8.517 8.737 -0.220 25600 7947 1 19 . 1 1 49 49 ASN N N 49 118.260 118.260 119.805 -1.545 25600 7948 1 19 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.658 0.240 25600 7949 1 19 . 1 1 49 49 ASN CA C 49 52.841 52.841 53.236 -0.395 25600 7950 1 19 . 1 1 49 49 ASN CB C 49 37.720 37.720 39.161 -1.441 25600 7951 1 19 . 1 1 49 49 ASN H H 49 7.816 7.816 7.802 0.014 25600 7952 1 19 . 1 1 50 50 THR N N 50 119.288 119.288 111.877 7.411 25600 7953 1 19 . 1 1 50 50 THR HA H 50 4.541 4.541 4.393 0.148 25600 7954 1 19 . 1 1 50 50 THR CA C 50 62.137 62.137 62.832 -0.695 25600 7955 1 19 . 1 1 50 50 THR CB C 50 67.100 67.100 69.213 -2.113 25600 7956 1 19 . 1 1 50 50 THR H H 50 9.049 9.049 8.384 0.665 25600 7957 1 19 . 1 1 51 51 ASP N N 51 118.825 118.825 120.831 -2.006 25600 7958 1 19 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.646 -0.060 25600 7959 1 19 . 1 1 51 51 ASP CA C 51 54.690 54.690 56.650 -1.960 25600 7960 1 19 . 1 1 51 51 ASP CB C 51 39.658 39.658 41.673 -2.015 25600 7961 1 19 . 1 1 51 51 ASP H H 51 8.251 8.251 8.118 0.133 25600 7962 1 19 . 1 1 52 52 ILE N N 52 118.411 118.411 116.782 1.629 25600 7963 1 19 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.308 -0.383 25600 7964 1 19 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.127 0.554 25600 7965 1 19 . 1 1 52 52 ILE CB C 52 38.896 38.896 38.614 0.282 25600 7966 1 19 . 1 1 52 52 ILE H H 52 7.169 7.169 7.948 -0.779 25600 7967 1 19 . 1 1 53 53 LEU N N 53 120.126 120.126 129.300 -9.174 25600 7968 1 19 . 1 1 53 53 LEU HA H 53 5.021 5.021 5.028 -0.007 25600 7969 1 19 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.799 -0.518 25600 7970 1 19 . 1 1 53 53 LEU CB C 53 46.405 46.405 45.026 1.379 25600 7971 1 19 . 1 1 53 53 LEU H H 53 7.876 7.876 7.795 0.081 25600 7972 1 19 . 1 1 54 54 SER N N 54 122.252 122.252 122.041 0.211 25600 7973 1 19 . 1 1 54 54 SER HA H 54 4.959 4.959 4.931 0.028 25600 7974 1 19 . 1 1 54 54 SER CA C 54 54.724 54.724 57.555 -2.831 25600 7975 1 19 . 1 1 54 54 SER CB C 54 64.417 64.417 66.165 -1.748 25600 7976 1 19 . 1 1 54 54 SER H H 54 8.650 8.650 8.772 -0.122 25600 7977 1 19 . 1 1 55 55 ILE N N 55 123.973 123.973 123.507 0.466 25600 7978 1 19 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.073 0.828 25600 7979 1 19 . 1 1 55 55 ILE CA C 55 58.868 58.868 60.179 -1.311 25600 7980 1 19 . 1 1 55 55 ILE CB C 55 41.418 41.418 41.115 0.303 25600 7981 1 19 . 1 1 55 55 ILE H H 55 9.081 9.081 8.203 0.878 25600 7982 1 19 . 1 1 56 56 SER N N 56 119.540 119.540 120.694 -1.154 25600 7983 1 19 . 1 1 56 56 SER HA H 56 4.387 4.387 4.089 0.298 25600 7984 1 19 . 1 1 56 56 SER CA C 56 56.626 56.626 56.834 -0.208 25600 7985 1 19 . 1 1 56 56 SER CB C 56 63.106 63.106 64.457 -1.351 25600 7986 1 19 . 1 1 56 56 SER H H 56 7.905 7.905 7.979 -0.074 25600 7987 1 19 . 1 1 57 57 ASN N N 57 124.207 124.207 124.427 -0.220 25600 7988 1 19 . 1 1 57 57 ASN HA H 57 5.019 5.019 5.137 -0.118 25600 7989 1 19 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.132 -0.662 25600 7990 1 19 . 1 1 57 57 ASN CB C 57 40.090 40.090 40.472 -0.382 25600 7991 1 19 . 1 1 57 57 ASN H H 57 8.945 8.945 8.555 0.390 25600 7992 1 19 . 1 1 58 58 ALA N N 58 124.301 124.301 120.322 3.979 25600 7993 1 19 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.572 -0.439 25600 7994 1 19 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.264 -0.977 25600 7995 1 19 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.689 -1.335 25600 7996 1 19 . 1 1 58 58 ALA H H 58 8.150 8.150 8.012 0.138 25600 7997 1 19 . 1 1 59 59 SER N N 59 113.299 113.299 114.740 -1.441 25600 7998 1 19 . 1 1 59 59 SER HA H 59 4.698 4.698 4.267 0.431 25600 7999 1 19 . 1 1 59 59 SER CA C 59 60.003 60.003 61.017 -1.014 25600 8000 1 19 . 1 1 59 59 SER CB C 59 62.574 62.574 63.372 -0.798 25600 8001 1 19 . 1 1 59 59 SER H H 59 8.377 8.377 8.428 -0.051 25600 8002 1 19 . 1 1 60 60 ASP N N 60 116.275 116.275 116.992 -0.717 25600 8003 1 19 . 1 1 60 60 ASP HA H 60 4.661 4.661 4.676 -0.015 25600 8004 1 19 . 1 1 60 60 ASP CA C 60 52.769 52.769 53.938 -1.169 25600 8005 1 19 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.232 -1.520 25600 8006 1 19 . 1 1 60 60 ASP H H 60 8.311 8.311 8.474 -0.163 25600 8007 1 19 . 1 1 61 61 SER N N 61 112.650 112.650 111.369 1.281 25600 8008 1 19 . 1 1 61 61 SER HA H 61 4.630 4.630 4.163 0.467 25600 8009 1 19 . 1 1 61 61 SER CA C 61 56.180 56.180 59.475 -3.295 25600 8010 1 19 . 1 1 61 61 SER CB C 61 61.843 61.843 63.062 -1.219 25600 8011 1 19 . 1 1 61 61 SER H H 61 7.588 7.588 8.347 -0.759 25600 8012 1 19 . 1 1 62 62 HIS N N 62 119.790 119.790 115.166 4.624 25600 8013 1 19 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.656 -0.609 25600 8014 1 19 . 1 1 62 62 HIS CA C 62 56.919 56.919 54.121 2.798 25600 8015 1 19 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.609 -3.085 25600 8016 1 19 . 1 1 62 62 HIS H H 62 8.029 8.029 7.830 0.199 25600 8017 1 19 . 1 1 63 63 GLY N N 63 113.301 113.301 107.987 5.314 25600 8018 1 19 . 1 1 63 63 GLY CA C 63 43.653 43.653 43.786 -0.133 25600 8019 1 19 . 1 1 63 63 GLY H H 63 8.733 8.733 8.428 0.305 25600 8020 1 19 . 1 1 64 64 LEU N N 64 120.664 120.664 120.383 0.281 25600 8021 1 19 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.457 -1.071 25600 8022 1 19 . 1 1 64 64 LEU CA C 64 54.893 54.893 54.857 0.036 25600 8023 1 19 . 1 1 64 64 LEU CB C 64 41.463 41.463 45.073 -3.610 25600 8024 1 19 . 1 1 64 64 LEU H H 64 7.679 7.679 7.896 -0.217 25600 8025 1 19 . 1 1 65 65 ALA N N 65 108.346 108.346 121.929 -13.583 25600 8026 1 19 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.636 0.766 25600 8027 1 19 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.740 -1.473 25600 8028 1 19 . 1 1 65 65 ALA CB C 65 21.555 21.555 21.137 0.417 25600 8029 1 19 . 1 1 65 65 ALA H H 65 9.874 9.874 8.507 1.367 25600 8030 1 19 . 1 1 66 66 SER N N 66 115.951 115.951 119.806 -3.855 25600 8031 1 19 . 1 1 66 66 SER HA H 66 4.909 4.909 5.265 -0.356 25600 8032 1 19 . 1 1 66 66 SER CA C 66 56.645 56.645 56.830 -0.185 25600 8033 1 19 . 1 1 66 66 SER CB C 66 63.823 63.823 64.464 -0.641 25600 8034 1 19 . 1 1 66 66 SER H H 66 8.938 8.938 8.606 0.332 25600 8035 1 19 . 1 1 67 67 THR N N 67 113.596 113.596 121.794 -8.198 25600 8036 1 19 . 1 1 67 67 THR HA H 67 4.649 4.649 4.695 -0.046 25600 8037 1 19 . 1 1 67 67 THR CA C 67 59.216 59.216 60.831 -1.615 25600 8038 1 19 . 1 1 67 67 THR CB C 67 69.006 69.006 71.056 -2.050 25600 8039 1 19 . 1 1 67 67 THR H H 67 8.258 8.258 8.450 -0.192 25600 8040 1 19 . 1 1 68 68 LEU N N 68 124.151 124.151 125.225 -1.074 25600 8041 1 19 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.886 -0.530 25600 8042 1 19 . 1 1 68 68 LEU CA C 68 55.112 55.112 53.919 1.193 25600 8043 1 19 . 1 1 68 68 LEU CB C 68 42.915 42.915 40.971 1.944 25600 8044 1 19 . 1 1 68 68 LEU H H 68 8.616 8.616 7.877 0.739 25600 8045 1 19 . 1 1 69 69 ASN N N 69 115.821 115.821 118.044 -2.223 25600 8046 1 19 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.966 -0.322 25600 8047 1 19 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.898 -0.442 25600 8048 1 19 . 1 1 69 69 ASN CB C 69 42.306 42.306 41.451 0.855 25600 8049 1 19 . 1 1 69 69 ASN H H 69 7.965 7.965 7.684 0.281 25600 8050 1 19 . 1 1 70 70 GLN N N 70 114.564 114.564 117.975 -3.411 25600 8051 1 19 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.609 -0.684 25600 8052 1 19 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.559 -0.322 25600 8053 1 19 . 1 1 70 70 GLN CB C 70 29.006 29.006 29.246 -0.240 25600 8054 1 19 . 1 1 70 70 GLN H H 70 8.287 8.287 8.562 -0.275 25600 8055 1 19 . 1 1 71 71 GLY N N 71 108.006 108.006 109.257 -1.251 25600 8056 1 19 . 1 1 71 71 GLY CA C 71 43.686 43.686 44.578 -0.892 25600 8057 1 19 . 1 1 71 71 GLY H H 71 8.520 8.520 8.122 0.398 25600 8058 1 19 . 1 1 72 72 ASN N N 72 117.785 117.785 118.833 -1.048 25600 8059 1 19 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.272 0.201 25600 8060 1 19 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.397 -0.706 25600 8061 1 19 . 1 1 72 72 ASN CB C 72 39.896 39.896 42.058 -2.162 25600 8062 1 19 . 1 1 72 72 ASN H H 72 8.420 8.420 8.351 0.069 25600 8063 1 19 . 1 1 73 73 VAL N N 73 115.848 115.848 118.859 -3.011 25600 8064 1 19 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.352 0.179 25600 8065 1 19 . 1 1 73 73 VAL CA C 73 58.975 58.975 60.629 -1.654 25600 8066 1 19 . 1 1 73 73 VAL CB C 73 35.179 35.179 36.235 -1.056 25600 8067 1 19 . 1 1 73 73 VAL H H 73 8.990 8.990 9.194 -0.204 25600 8068 1 19 . 1 1 74 74 LYS N N 74 123.195 123.195 124.327 -1.132 25600 8069 1 19 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.866 0.290 25600 8070 1 19 . 1 1 74 74 LYS CA C 74 53.881 53.881 53.768 0.113 25600 8071 1 19 . 1 1 74 74 LYS CB C 74 33.597 33.597 32.859 0.737 25600 8072 1 19 . 1 1 74 74 LYS H H 74 8.715 8.715 8.500 0.215 25600 8073 1 19 . 1 1 75 75 VAL N N 75 129.522 129.522 127.130 2.392 25600 8074 1 19 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.505 0.037 25600 8075 1 19 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.593 -0.777 25600 8076 1 19 . 1 1 75 75 VAL CB C 75 32.483 32.483 31.778 0.705 25600 8077 1 19 . 1 1 75 75 VAL H H 75 8.975 8.975 8.183 0.792 25600 8078 1 19 . 1 1 76 76 THR N N 76 120.548 120.548 123.755 -3.207 25600 8079 1 19 . 1 1 76 76 THR HA H 76 5.066 5.066 4.637 0.429 25600 8080 1 19 . 1 1 76 76 THR CA C 76 59.783 59.783 60.979 -1.196 25600 8081 1 19 . 1 1 76 76 THR CB C 76 70.733 70.733 70.626 0.107 25600 8082 1 19 . 1 1 76 76 THR H H 76 8.650 8.650 8.150 0.500 25600 8083 1 19 . 1 1 77 77 ALA N N 77 126.454 126.454 128.497 -2.043 25600 8084 1 19 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.621 -1.241 25600 8085 1 19 . 1 1 77 77 ALA CA C 77 48.430 48.430 49.885 -1.455 25600 8086 1 19 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.467 -1.923 25600 8087 1 19 . 1 1 77 77 ALA H H 77 8.674 8.674 8.243 0.431 25600 8088 1 19 . 1 1 78 78 SER N N 78 113.568 113.568 117.640 -4.072 25600 8089 1 19 . 1 1 78 78 SER HA H 78 5.376 5.376 4.930 0.446 25600 8090 1 19 . 1 1 78 78 SER CA C 78 56.077 56.077 56.748 -0.671 25600 8091 1 19 . 1 1 78 78 SER CB C 78 65.730 65.730 65.311 0.419 25600 8092 1 19 . 1 1 78 78 SER H H 78 8.117 8.117 8.262 -0.145 25600 8093 1 19 . 1 1 79 79 ILE N N 79 121.071 121.071 126.049 -4.978 25600 8094 1 19 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.560 -0.419 25600 8095 1 19 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.440 0.684 25600 8096 1 19 . 1 1 79 79 ILE CB C 79 38.809 38.809 41.170 -2.361 25600 8097 1 19 . 1 1 79 79 ILE H H 79 8.446 8.446 7.985 0.461 25600 8098 1 19 . 1 1 80 80 GLY N N 80 117.157 117.157 116.234 0.923 25600 8099 1 19 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.704 -0.698 25600 8100 1 19 . 1 1 80 80 GLY H H 80 8.899 8.899 8.897 0.002 25600 8101 1 19 . 1 1 81 81 GLY N N 81 110.716 110.716 110.392 0.324 25600 8102 1 19 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.765 -0.387 25600 8103 1 19 . 1 1 81 81 GLY H H 81 8.742 8.742 8.069 0.673 25600 8104 1 19 . 1 1 82 82 ILE N N 82 124.112 124.112 121.221 2.891 25600 8105 1 19 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.273 -0.073 25600 8106 1 19 . 1 1 82 82 ILE CA C 82 59.033 59.033 59.758 -0.725 25600 8107 1 19 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.588 -1.811 25600 8108 1 19 . 1 1 82 82 ILE H H 82 8.188 8.188 8.025 0.163 25600 8109 1 19 . 1 1 83 83 GLN N N 83 122.453 122.453 121.589 0.864 25600 8110 1 19 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.558 0.837 25600 8111 1 19 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.333 -1.313 25600 8112 1 19 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.937 -0.422 25600 8113 1 19 . 1 1 83 83 GLN H H 83 8.423 8.423 8.209 0.214 25600 8114 1 19 . 1 1 84 84 GLY N N 84 111.437 111.437 108.627 2.810 25600 8115 1 19 . 1 1 84 84 GLY CA C 84 43.698 43.698 43.570 0.128 25600 8116 1 19 . 1 1 84 84 GLY H H 84 8.931 8.931 9.039 -0.108 25600 8117 1 19 . 1 1 85 85 SER N N 85 113.877 113.877 114.029 -0.152 25600 8118 1 19 . 1 1 85 85 SER HA H 85 5.841 5.841 5.136 0.705 25600 8119 1 19 . 1 1 85 85 SER CA C 85 56.264 56.264 57.374 -1.110 25600 8120 1 19 . 1 1 85 85 SER CB C 85 66.946 66.946 66.668 0.278 25600 8121 1 19 . 1 1 85 85 SER H H 85 8.710 8.710 8.234 0.476 25600 8122 1 19 . 1 1 86 86 THR N N 86 115.389 115.389 115.195 0.194 25600 8123 1 19 . 1 1 86 86 THR HA H 86 4.772 4.772 5.196 -0.424 25600 8124 1 19 . 1 1 86 86 THR CA C 86 60.313 60.313 61.298 -0.986 25600 8125 1 19 . 1 1 86 86 THR CB C 86 69.953 69.953 72.101 -2.148 25600 8126 1 19 . 1 1 86 86 THR H H 86 8.854 8.854 8.593 0.261 25600 8127 1 19 . 1 1 87 87 ASP N N 87 124.623 124.623 122.363 2.260 25600 8128 1 19 . 1 1 87 87 ASP HA H 87 5.436 5.436 5.007 0.429 25600 8129 1 19 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.190 0.606 25600 8130 1 19 . 1 1 87 87 ASP CB C 87 42.010 42.010 43.229 -1.219 25600 8131 1 19 . 1 1 87 87 ASP H H 87 7.953 7.953 8.432 -0.479 25600 8132 1 19 . 1 1 88 88 PHE N N 88 123.577 123.577 123.907 -0.330 25600 8133 1 19 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.411 -0.480 25600 8134 1 19 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.232 0.736 25600 8135 1 19 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.573 -0.689 25600 8136 1 19 . 1 1 88 88 PHE H H 88 9.094 9.094 9.349 -0.255 25600 8137 1 19 . 1 1 89 89 LYS N N 89 126.965 126.965 124.904 2.061 25600 8138 1 19 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.781 0.257 25600 8139 1 19 . 1 1 89 89 LYS CA C 89 53.889 53.889 54.742 -0.853 25600 8140 1 19 . 1 1 89 89 LYS CB C 89 34.669 34.669 34.807 -0.138 25600 8141 1 19 . 1 1 89 89 LYS H H 89 7.269 7.269 8.269 -1.000 25600 8142 1 19 . 1 1 90 90 VAL N N 90 126.148 126.148 127.840 -1.692 25600 8143 1 19 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.386 -0.375 25600 8144 1 19 . 1 1 90 90 VAL CA C 90 59.547 59.547 59.975 -0.428 25600 8145 1 19 . 1 1 90 90 VAL CB C 90 30.948 30.948 31.851 -0.903 25600 8146 1 19 . 1 1 90 90 VAL H H 90 9.086 9.086 8.708 0.378 25600 8147 1 19 . 1 1 91 91 THR N N 91 120.506 120.506 119.694 0.812 25600 8148 1 19 . 1 1 91 91 THR HA H 91 4.568 4.568 4.749 -0.181 25600 8149 1 19 . 1 1 91 91 THR CA C 91 59.348 59.348 59.352 -0.004 25600 8150 1 19 . 1 1 91 91 THR CB C 91 68.970 68.970 71.951 -2.981 25600 8151 1 19 . 1 1 91 91 THR H H 91 8.757 8.757 7.799 0.958 25600 8152 1 20 . 1 1 2 2 PRO HA H 2 4.277 4.277 4.631 -0.354 25600 8153 1 20 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.846 -1.625 25600 8154 1 20 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.767 -1.351 25600 8155 1 20 . 1 1 3 3 ALA N N 3 123.804 123.804 122.849 0.955 25600 8156 1 20 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.664 -0.458 25600 8157 1 20 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.540 -0.145 25600 8158 1 20 . 1 1 3 3 ALA CB C 3 18.840 18.840 20.506 -1.666 25600 8159 1 20 . 1 1 3 3 ALA H H 3 8.647 8.647 8.268 0.379 25600 8160 1 20 . 1 1 4 4 ALA N N 4 124.059 124.059 125.211 -1.152 25600 8161 1 20 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.640 0.069 25600 8162 1 20 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.434 -0.413 25600 8163 1 20 . 1 1 4 4 ALA CB C 4 19.897 19.897 20.415 -0.518 25600 8164 1 20 . 1 1 4 4 ALA H H 4 8.239 8.239 8.493 -0.254 25600 8165 1 20 . 1 1 5 5 LEU N N 5 124.019 124.019 121.427 2.592 25600 8166 1 20 . 1 1 5 5 LEU HA H 5 3.372 3.372 2.242 1.130 25600 8167 1 20 . 1 1 5 5 LEU CA C 5 55.008 55.008 55.511 -0.503 25600 8168 1 20 . 1 1 5 5 LEU CB C 5 41.242 41.242 41.737 -0.495 25600 8169 1 20 . 1 1 5 5 LEU H H 5 8.560 8.560 8.206 0.354 25600 8170 1 20 . 1 1 6 6 VAL N N 6 123.356 123.356 119.203 4.153 25600 8171 1 20 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.228 -0.131 25600 8172 1 20 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.105 0.235 25600 8173 1 20 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.461 -0.513 25600 8174 1 20 . 1 1 6 6 VAL H H 6 9.119 9.119 7.768 1.351 25600 8175 1 20 . 1 1 7 7 SER N N 7 112.134 112.134 112.708 -0.574 25600 8176 1 20 . 1 1 7 7 SER HA H 7 4.445 4.445 4.765 -0.320 25600 8177 1 20 . 1 1 7 7 SER CA C 7 56.349 56.349 57.394 -1.045 25600 8178 1 20 . 1 1 7 7 SER CB C 7 64.361 64.361 66.249 -1.888 25600 8179 1 20 . 1 1 7 7 SER H H 7 7.680 7.680 7.842 -0.162 25600 8180 1 20 . 1 1 8 8 ILE N N 8 118.674 118.674 116.451 2.223 25600 8181 1 20 . 1 1 8 8 ILE HA H 8 4.673 4.673 5.082 -0.409 25600 8182 1 20 . 1 1 8 8 ILE CA C 8 59.146 59.146 60.198 -1.052 25600 8183 1 20 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.417 -0.743 25600 8184 1 20 . 1 1 8 8 ILE H H 8 8.354 8.354 8.188 0.166 25600 8185 1 20 . 1 1 9 9 SER N N 9 121.318 121.318 121.712 -0.394 25600 8186 1 20 . 1 1 9 9 SER HA H 9 4.863 4.863 4.932 -0.069 25600 8187 1 20 . 1 1 9 9 SER CA C 9 55.381 55.381 57.583 -2.202 25600 8188 1 20 . 1 1 9 9 SER CB C 9 64.243 64.243 63.789 0.454 25600 8189 1 20 . 1 1 9 9 SER H H 9 9.028 9.028 8.692 0.336 25600 8190 1 20 . 1 1 10 10 VAL N N 10 127.509 127.509 121.007 6.502 25600 8191 1 20 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.867 0.183 25600 8192 1 20 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.098 0.814 25600 8193 1 20 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.582 -0.195 25600 8194 1 20 . 1 1 10 10 VAL H H 10 8.911 8.911 8.337 0.574 25600 8195 1 20 . 1 1 11 11 SER N N 11 121.861 121.861 122.781 -0.920 25600 8196 1 20 . 1 1 11 11 SER CB C 11 64.373 64.373 63.677 0.696 25600 8197 1 20 . 1 1 11 11 SER H H 11 9.205 9.205 8.553 0.652 25600 8198 1 20 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.530 0.174 25600 8199 1 20 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.709 -1.810 25600 8200 1 20 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.085 2.004 25600 8201 1 20 . 1 1 13 13 THR N N 13 116.138 116.138 117.080 -0.942 25600 8202 1 20 . 1 1 13 13 THR HA H 13 4.770 4.770 4.538 0.232 25600 8203 1 20 . 1 1 13 13 THR CA C 13 60.153 60.153 61.109 -0.956 25600 8204 1 20 . 1 1 13 13 THR CB C 13 69.426 69.426 70.448 -1.022 25600 8205 1 20 . 1 1 13 13 THR H H 13 8.679 8.679 8.336 0.343 25600 8206 1 20 . 1 1 14 14 ASN N N 14 124.457 124.457 123.147 1.310 25600 8207 1 20 . 1 1 14 14 ASN HA H 14 4.695 4.695 5.180 -0.485 25600 8208 1 20 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.795 0.333 25600 8209 1 20 . 1 1 14 14 ASN CB C 14 36.593 36.593 40.203 -3.610 25600 8210 1 20 . 1 1 14 14 ASN H H 14 8.710 8.710 8.701 0.009 25600 8211 1 20 . 1 1 15 15 SER N N 15 113.673 113.673 116.822 -3.149 25600 8212 1 20 . 1 1 15 15 SER HA H 15 4.648 4.648 4.713 -0.065 25600 8213 1 20 . 1 1 15 15 SER CA C 15 55.644 55.644 57.838 -2.194 25600 8214 1 20 . 1 1 15 15 SER CB C 15 63.953 63.953 64.485 -0.532 25600 8215 1 20 . 1 1 15 15 SER H H 15 9.127 9.127 8.343 0.784 25600 8216 1 20 . 1 1 16 16 THR N N 16 113.579 113.579 115.172 -1.593 25600 8217 1 20 . 1 1 16 16 THR HA H 16 4.976 4.976 5.222 -0.246 25600 8218 1 20 . 1 1 16 16 THR CA C 16 58.445 58.445 60.959 -2.514 25600 8219 1 20 . 1 1 16 16 THR CB C 16 70.534 70.534 70.628 -0.094 25600 8220 1 20 . 1 1 16 16 THR H H 16 7.962 7.962 8.312 -0.350 25600 8221 1 20 . 1 1 17 17 VAL N N 17 121.479 121.479 122.236 -0.757 25600 8222 1 20 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.614 -0.294 25600 8223 1 20 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.826 0.111 25600 8224 1 20 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.134 0.270 25600 8225 1 20 . 1 1 17 17 VAL H H 17 7.969 7.969 8.941 -0.972 25600 8226 1 20 . 1 1 18 18 ALA N N 18 126.014 126.014 126.644 -0.630 25600 8227 1 20 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.460 -0.285 25600 8228 1 20 . 1 1 18 18 ALA CA C 18 50.963 50.963 52.253 -1.290 25600 8229 1 20 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.609 -0.687 25600 8230 1 20 . 1 1 18 18 ALA H H 18 7.756 7.756 8.393 -0.637 25600 8231 1 20 . 1 1 19 19 LYS N N 19 119.741 119.741 122.251 -2.510 25600 8232 1 20 . 1 1 19 19 LYS HA H 19 3.487 3.487 3.996 -0.509 25600 8233 1 20 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.091 0.681 25600 8234 1 20 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.690 -1.088 25600 8235 1 20 . 1 1 19 19 LYS H H 19 7.893 7.893 8.050 -0.157 25600 8236 1 20 . 1 1 20 20 GLY N N 20 116.709 116.709 112.386 4.323 25600 8237 1 20 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.289 -1.526 25600 8238 1 20 . 1 1 20 20 GLY H H 20 8.615 8.615 8.705 -0.090 25600 8239 1 20 . 1 1 21 21 LEU N N 21 123.004 123.004 123.034 -0.030 25600 8240 1 20 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.613 -0.025 25600 8241 1 20 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.327 -0.962 25600 8242 1 20 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.549 -5.587 25600 8243 1 20 . 1 1 21 21 LEU H H 21 8.013 8.013 8.044 -0.031 25600 8244 1 20 . 1 1 22 22 GLN N N 22 117.504 117.504 117.628 -0.124 25600 8245 1 20 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.183 -0.055 25600 8246 1 20 . 1 1 22 22 GLN CA C 22 53.669 53.669 53.848 -0.179 25600 8247 1 20 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.795 -0.881 25600 8248 1 20 . 1 1 22 22 GLN H H 22 8.223 8.223 8.239 -0.016 25600 8249 1 20 . 1 1 23 23 GLU N N 23 118.125 118.125 122.414 -4.289 25600 8250 1 20 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.656 -0.093 25600 8251 1 20 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.424 -2.557 25600 8252 1 20 . 1 1 23 23 GLU CB C 23 32.874 32.874 32.279 0.595 25600 8253 1 20 . 1 1 23 23 GLU H H 23 8.188 8.188 8.525 -0.337 25600 8254 1 20 . 1 1 24 24 ASN N N 24 125.841 125.841 122.955 2.886 25600 8255 1 20 . 1 1 24 24 ASN HA H 24 4.778 4.778 5.501 -0.723 25600 8256 1 20 . 1 1 24 24 ASN CA C 24 52.511 52.511 52.664 -0.153 25600 8257 1 20 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.847 -0.101 25600 8258 1 20 . 1 1 24 24 ASN H H 24 9.391 9.391 8.644 0.747 25600 8259 1 20 . 1 1 25 25 PHE N N 25 122.823 122.823 118.399 4.424 25600 8260 1 20 . 1 1 25 25 PHE HA H 25 4.651 4.651 5.085 -0.434 25600 8261 1 20 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.073 1.050 25600 8262 1 20 . 1 1 25 25 PHE CB C 25 39.059 39.059 41.042 -1.983 25600 8263 1 20 . 1 1 25 25 PHE H H 25 8.062 8.062 8.219 -0.157 25600 8264 1 20 . 1 1 26 26 LYS N N 26 119.114 119.114 119.538 -0.424 25600 8265 1 20 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.676 0.568 25600 8266 1 20 . 1 1 26 26 LYS CA C 26 52.976 52.976 56.529 -3.553 25600 8267 1 20 . 1 1 26 26 LYS CB C 26 34.661 34.661 35.867 -1.206 25600 8268 1 20 . 1 1 26 26 LYS H H 26 9.255 9.255 8.697 0.558 25600 8269 1 20 . 1 1 27 27 ALA N N 27 125.586 125.586 128.322 -2.736 25600 8270 1 20 . 1 1 27 27 ALA HA H 27 5.262 5.262 4.983 0.279 25600 8271 1 20 . 1 1 27 27 ALA CA C 27 48.817 48.817 50.893 -2.076 25600 8272 1 20 . 1 1 27 27 ALA CB C 27 21.160 21.160 21.391 -0.231 25600 8273 1 20 . 1 1 27 27 ALA H H 27 9.120 9.120 8.928 0.192 25600 8274 1 20 . 1 1 28 28 THR N N 28 120.627 120.627 119.972 0.655 25600 8275 1 20 . 1 1 28 28 THR HA H 28 4.837 4.837 4.915 -0.078 25600 8276 1 20 . 1 1 28 28 THR CA C 28 60.566 60.566 61.391 -0.825 25600 8277 1 20 . 1 1 28 28 THR CB C 28 69.478 69.478 70.494 -1.016 25600 8278 1 20 . 1 1 28 28 THR H H 28 9.062 9.062 8.226 0.836 25600 8279 1 20 . 1 1 29 29 GLY N N 29 115.788 115.788 113.530 2.258 25600 8280 1 20 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.806 0.510 25600 8281 1 20 . 1 1 29 29 GLY H H 29 9.663 9.663 9.293 0.370 25600 8282 1 20 . 1 1 30 30 ILE N N 30 123.085 123.085 123.929 -0.844 25600 8283 1 20 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.866 -0.088 25600 8284 1 20 . 1 1 30 30 ILE CA C 30 59.388 59.388 60.641 -1.252 25600 8285 1 20 . 1 1 30 30 ILE CB C 30 36.883 36.883 40.521 -3.638 25600 8286 1 20 . 1 1 30 30 ILE H H 30 7.914 7.914 8.927 -1.013 25600 8287 1 20 . 1 1 31 31 PHE N N 31 125.209 125.209 127.045 -1.836 25600 8288 1 20 . 1 1 31 31 PHE HA H 31 5.370 5.370 4.978 0.392 25600 8289 1 20 . 1 1 31 31 PHE CA C 31 56.487 56.487 57.025 -0.538 25600 8290 1 20 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.932 -1.779 25600 8291 1 20 . 1 1 31 31 PHE H H 31 8.316 8.316 8.293 0.023 25600 8292 1 20 . 1 1 32 32 THR N N 32 113.843 113.843 119.931 -6.088 25600 8293 1 20 . 1 1 32 32 THR HA H 32 4.404 4.404 4.128 0.276 25600 8294 1 20 . 1 1 32 32 THR CA C 32 64.157 64.157 65.917 -1.760 25600 8295 1 20 . 1 1 32 32 THR CB C 32 68.540 68.540 68.959 -0.419 25600 8296 1 20 . 1 1 32 32 THR H H 32 9.335 9.335 8.924 0.411 25600 8297 1 20 . 1 1 33 33 ASP N N 33 118.800 118.800 117.902 0.898 25600 8298 1 20 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.794 -0.173 25600 8299 1 20 . 1 1 33 33 ASP CA C 33 51.963 51.963 54.417 -2.454 25600 8300 1 20 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.951 -2.457 25600 8301 1 20 . 1 1 33 33 ASP H H 33 7.689 7.689 8.621 -0.932 25600 8302 1 20 . 1 1 34 34 ASN N N 34 112.995 112.995 117.182 -4.187 25600 8303 1 20 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.895 -0.547 25600 8304 1 20 . 1 1 34 34 ASN CA C 34 54.346 54.346 52.479 1.867 25600 8305 1 20 . 1 1 34 34 ASN CB C 34 36.490 36.490 39.885 -3.395 25600 8306 1 20 . 1 1 34 34 ASN H H 34 8.370 8.370 7.593 0.777 25600 8307 1 20 . 1 1 35 35 SER N N 35 115.545 115.545 114.407 1.138 25600 8308 1 20 . 1 1 35 35 SER HA H 35 4.413 4.413 3.989 0.424 25600 8309 1 20 . 1 1 35 35 SER CA C 35 57.882 57.882 61.984 -4.102 25600 8310 1 20 . 1 1 35 35 SER CB C 35 63.770 63.770 62.593 1.177 25600 8311 1 20 . 1 1 35 35 SER H H 35 7.990 7.990 8.420 -0.430 25600 8312 1 20 . 1 1 36 36 ASN N N 36 116.053 116.053 121.816 -5.763 25600 8313 1 20 . 1 1 36 36 ASN HA H 36 2.890 2.890 5.314 -2.424 25600 8314 1 20 . 1 1 36 36 ASN CA C 36 50.674 50.674 53.270 -2.596 25600 8315 1 20 . 1 1 36 36 ASN CB C 36 41.799 41.799 41.949 -0.150 25600 8316 1 20 . 1 1 36 36 ASN H H 36 8.518 8.518 8.143 0.375 25600 8317 1 20 . 1 1 37 37 SER N N 37 113.191 113.191 118.018 -4.827 25600 8318 1 20 . 1 1 37 37 SER HA H 37 4.715 4.715 4.741 -0.026 25600 8319 1 20 . 1 1 37 37 SER CA C 37 56.801 56.801 57.340 -0.539 25600 8320 1 20 . 1 1 37 37 SER CB C 37 64.872 64.872 66.421 -1.549 25600 8321 1 20 . 1 1 37 37 SER H H 37 8.667 8.667 9.101 -0.434 25600 8322 1 20 . 1 1 38 38 ASP N N 38 123.962 123.962 122.297 1.665 25600 8323 1 20 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.786 0.201 25600 8324 1 20 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.387 0.814 25600 8325 1 20 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.240 -1.311 25600 8326 1 20 . 1 1 38 38 ASP H H 38 8.848 8.848 8.577 0.271 25600 8327 1 20 . 1 1 39 39 ILE N N 39 121.216 121.216 125.729 -4.513 25600 8328 1 20 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.776 1.095 25600 8329 1 20 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.173 -2.466 25600 8330 1 20 . 1 1 39 39 ILE CB C 39 37.086 37.086 37.497 -0.411 25600 8331 1 20 . 1 1 39 39 ILE H H 39 8.815 8.815 8.346 0.469 25600 8332 1 20 . 1 1 40 40 THR N N 40 122.867 122.867 114.619 8.248 25600 8333 1 20 . 1 1 40 40 THR HA H 40 4.288 4.288 4.036 0.252 25600 8334 1 20 . 1 1 40 40 THR CB C 40 68.527 68.527 68.734 -0.207 25600 8335 1 20 . 1 1 40 40 THR H H 40 8.679 8.679 8.189 0.490 25600 8336 1 20 . 1 1 41 41 ASP N N 41 114.081 114.081 119.183 -5.102 25600 8337 1 20 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.762 -1.064 25600 8338 1 20 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.118 -0.640 25600 8339 1 20 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.478 -1.760 25600 8340 1 20 . 1 1 41 41 ASP H H 41 8.539 8.539 8.399 0.140 25600 8341 1 20 . 1 1 42 42 GLN N N 42 117.087 117.087 116.159 0.928 25600 8342 1 20 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.017 0.134 25600 8343 1 20 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.146 -0.610 25600 8344 1 20 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.533 2.683 25600 8345 1 20 . 1 1 42 42 GLN H H 42 7.718 7.718 7.157 0.561 25600 8346 1 20 . 1 1 43 43 VAL N N 43 109.916 109.916 123.596 -13.680 25600 8347 1 20 . 1 1 43 43 VAL HA H 43 4.089 4.089 4.497 -0.408 25600 8348 1 20 . 1 1 43 43 VAL CA C 43 58.840 58.840 62.126 -3.286 25600 8349 1 20 . 1 1 43 43 VAL CB C 43 31.273 31.273 33.326 -2.053 25600 8350 1 20 . 1 1 43 43 VAL H H 43 6.902 6.902 8.275 -1.373 25600 8351 1 20 . 1 1 44 44 THR N N 44 116.272 116.272 124.540 -8.268 25600 8352 1 20 . 1 1 44 44 THR HA H 44 4.315 4.315 4.407 -0.092 25600 8353 1 20 . 1 1 44 44 THR CA C 44 61.651 61.651 61.773 -0.122 25600 8354 1 20 . 1 1 44 44 THR CB C 44 68.890 68.890 69.492 -0.602 25600 8355 1 20 . 1 1 44 44 THR H H 44 8.787 8.787 8.719 0.068 25600 8356 1 20 . 1 1 45 45 TRP N N 45 132.098 132.098 127.023 5.075 25600 8357 1 20 . 1 1 45 45 TRP HA H 45 5.245 5.245 5.125 0.120 25600 8358 1 20 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.860 0.527 25600 8359 1 20 . 1 1 45 45 TRP CB C 45 30.077 30.077 30.329 -0.252 25600 8360 1 20 . 1 1 45 45 TRP H H 45 10.351 10.351 8.112 2.239 25600 8361 1 20 . 1 1 46 46 ASP N N 46 121.897 121.897 122.967 -1.070 25600 8362 1 20 . 1 1 46 46 ASP HA H 46 4.857 4.857 5.012 -0.155 25600 8363 1 20 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.556 -0.759 25600 8364 1 20 . 1 1 46 46 ASP CB C 46 45.075 45.075 45.147 -0.071 25600 8365 1 20 . 1 1 46 46 ASP H H 46 9.471 9.471 8.500 0.971 25600 8366 1 20 . 1 1 47 47 SER N N 47 113.805 113.805 117.681 -3.876 25600 8367 1 20 . 1 1 47 47 SER HA H 47 5.043 5.043 5.058 -0.015 25600 8368 1 20 . 1 1 47 47 SER CA C 47 53.059 53.059 57.350 -4.291 25600 8369 1 20 . 1 1 47 47 SER CB C 47 64.880 64.880 65.413 -0.533 25600 8370 1 20 . 1 1 47 47 SER H H 47 8.502 8.502 8.621 -0.119 25600 8371 1 20 . 1 1 48 48 SER N N 48 119.614 119.614 118.231 1.383 25600 8372 1 20 . 1 1 48 48 SER HA H 48 4.264 4.264 4.296 -0.032 25600 8373 1 20 . 1 1 48 48 SER CA C 48 59.404 59.404 59.537 -0.133 25600 8374 1 20 . 1 1 48 48 SER CB C 48 62.026 62.026 63.508 -1.482 25600 8375 1 20 . 1 1 48 48 SER H H 48 8.517 8.517 8.594 -0.077 25600 8376 1 20 . 1 1 49 49 ASN N N 49 118.260 118.260 115.914 2.346 25600 8377 1 20 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.596 0.302 25600 8378 1 20 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.212 -1.371 25600 8379 1 20 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.983 -1.263 25600 8380 1 20 . 1 1 49 49 ASN H H 49 7.816 7.816 8.141 -0.325 25600 8381 1 20 . 1 1 50 50 THR N N 50 119.288 119.288 112.482 6.806 25600 8382 1 20 . 1 1 50 50 THR HA H 50 4.541 4.541 4.561 -0.020 25600 8383 1 20 . 1 1 50 50 THR CA C 50 62.137 62.137 62.328 -0.191 25600 8384 1 20 . 1 1 50 50 THR CB C 50 67.100 67.100 69.140 -2.040 25600 8385 1 20 . 1 1 50 50 THR H H 50 9.049 9.049 8.299 0.750 25600 8386 1 20 . 1 1 51 51 ASP N N 51 118.825 118.825 120.364 -1.539 25600 8387 1 20 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.891 -0.305 25600 8388 1 20 . 1 1 51 51 ASP CA C 51 54.690 54.690 55.233 -0.542 25600 8389 1 20 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.894 -3.236 25600 8390 1 20 . 1 1 51 51 ASP H H 51 8.251 8.251 8.114 0.137 25600 8391 1 20 . 1 1 52 52 ILE N N 52 118.411 118.411 118.616 -0.205 25600 8392 1 20 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.437 -0.512 25600 8393 1 20 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.194 0.487 25600 8394 1 20 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.526 -0.630 25600 8395 1 20 . 1 1 52 52 ILE H H 52 7.169 7.169 7.895 -0.726 25600 8396 1 20 . 1 1 53 53 LEU N N 53 120.126 120.126 125.711 -5.585 25600 8397 1 20 . 1 1 53 53 LEU HA H 53 5.021 5.021 5.436 -0.415 25600 8398 1 20 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.936 -0.655 25600 8399 1 20 . 1 1 53 53 LEU CB C 53 46.405 46.405 45.828 0.577 25600 8400 1 20 . 1 1 53 53 LEU H H 53 7.876 7.876 8.174 -0.298 25600 8401 1 20 . 1 1 54 54 SER N N 54 122.252 122.252 118.176 4.076 25600 8402 1 20 . 1 1 54 54 SER HA H 54 4.959 4.959 4.953 0.006 25600 8403 1 20 . 1 1 54 54 SER CA C 54 54.724 54.724 57.403 -2.679 25600 8404 1 20 . 1 1 54 54 SER CB C 54 64.417 64.417 66.828 -2.411 25600 8405 1 20 . 1 1 54 54 SER H H 54 8.650 8.650 8.785 -0.135 25600 8406 1 20 . 1 1 55 55 ILE N N 55 123.973 123.973 124.546 -0.573 25600 8407 1 20 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.488 0.413 25600 8408 1 20 . 1 1 55 55 ILE CA C 55 58.868 58.868 60.261 -1.393 25600 8409 1 20 . 1 1 55 55 ILE CB C 55 41.418 41.418 40.180 1.238 25600 8410 1 20 . 1 1 55 55 ILE H H 55 9.081 9.081 8.427 0.654 25600 8411 1 20 . 1 1 56 56 SER N N 56 119.540 119.540 122.660 -3.120 25600 8412 1 20 . 1 1 56 56 SER HA H 56 4.387 4.387 4.214 0.173 25600 8413 1 20 . 1 1 56 56 SER CA C 56 56.626 56.626 56.589 0.037 25600 8414 1 20 . 1 1 56 56 SER CB C 56 63.106 63.106 65.218 -2.112 25600 8415 1 20 . 1 1 56 56 SER H H 56 7.905 7.905 7.943 -0.038 25600 8416 1 20 . 1 1 57 57 ASN N N 57 124.207 124.207 122.640 1.567 25600 8417 1 20 . 1 1 57 57 ASN HA H 57 5.019 5.019 4.884 0.135 25600 8418 1 20 . 1 1 57 57 ASN CA C 57 52.469 52.469 53.613 -1.144 25600 8419 1 20 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.789 0.301 25600 8420 1 20 . 1 1 57 57 ASN H H 57 8.945 8.945 8.540 0.405 25600 8421 1 20 . 1 1 58 58 ALA N N 58 124.301 124.301 126.738 -2.437 25600 8422 1 20 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.362 -0.229 25600 8423 1 20 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.653 -1.366 25600 8424 1 20 . 1 1 58 58 ALA CB C 58 18.354 18.354 18.912 -0.558 25600 8425 1 20 . 1 1 58 58 ALA H H 58 8.150 8.150 7.992 0.158 25600 8426 1 20 . 1 1 59 59 SER N N 59 113.299 113.299 115.206 -1.907 25600 8427 1 20 . 1 1 59 59 SER HA H 59 4.698 4.698 4.167 0.531 25600 8428 1 20 . 1 1 59 59 SER CA C 59 60.003 60.003 60.699 -0.696 25600 8429 1 20 . 1 1 59 59 SER CB C 59 62.574 62.574 63.317 -0.743 25600 8430 1 20 . 1 1 59 59 SER H H 59 8.377 8.377 8.273 0.104 25600 8431 1 20 . 1 1 60 60 ASP N N 60 116.275 116.275 116.868 -0.593 25600 8432 1 20 . 1 1 60 60 ASP HA H 60 4.661 4.661 4.682 -0.021 25600 8433 1 20 . 1 1 60 60 ASP CA C 60 52.769 52.769 54.093 -1.324 25600 8434 1 20 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.566 -1.853 25600 8435 1 20 . 1 1 60 60 ASP H H 60 8.311 8.311 7.384 0.927 25600 8436 1 20 . 1 1 61 61 SER N N 61 112.650 112.650 112.181 0.469 25600 8437 1 20 . 1 1 61 61 SER HA H 61 4.630 4.630 4.112 0.518 25600 8438 1 20 . 1 1 61 61 SER CA C 61 56.180 56.180 59.121 -2.941 25600 8439 1 20 . 1 1 61 61 SER CB C 61 61.843 61.843 62.466 -0.623 25600 8440 1 20 . 1 1 61 61 SER H H 61 7.588 7.588 7.671 -0.083 25600 8441 1 20 . 1 1 62 62 HIS N N 62 119.790 119.790 115.577 4.213 25600 8442 1 20 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.557 -0.510 25600 8443 1 20 . 1 1 62 62 HIS CA C 62 56.919 56.919 54.909 2.010 25600 8444 1 20 . 1 1 62 62 HIS CB C 62 27.524 27.524 29.957 -2.433 25600 8445 1 20 . 1 1 62 62 HIS H H 62 8.029 8.029 7.004 1.025 25600 8446 1 20 . 1 1 63 63 GLY N N 63 113.301 113.301 107.826 5.475 25600 8447 1 20 . 1 1 63 63 GLY CA C 63 43.653 43.653 43.890 -0.237 25600 8448 1 20 . 1 1 63 63 GLY H H 63 8.733 8.733 8.386 0.347 25600 8449 1 20 . 1 1 64 64 LEU N N 64 120.664 120.664 126.395 -5.731 25600 8450 1 20 . 1 1 64 64 LEU HA H 64 4.386 4.386 5.155 -0.769 25600 8451 1 20 . 1 1 64 64 LEU CA C 64 54.893 54.893 54.512 0.381 25600 8452 1 20 . 1 1 64 64 LEU CB C 64 41.463 41.463 46.053 -4.590 25600 8453 1 20 . 1 1 64 64 LEU H H 64 7.679 7.679 7.557 0.122 25600 8454 1 20 . 1 1 65 65 ALA N N 65 108.346 108.346 125.537 -17.191 25600 8455 1 20 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.767 0.635 25600 8456 1 20 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.362 -1.095 25600 8457 1 20 . 1 1 65 65 ALA CB C 65 21.555 21.555 20.470 1.085 25600 8458 1 20 . 1 1 65 65 ALA H H 65 9.874 9.874 8.805 1.069 25600 8459 1 20 . 1 1 66 66 SER N N 66 115.951 115.951 120.867 -4.916 25600 8460 1 20 . 1 1 66 66 SER HA H 66 4.909 4.909 4.887 0.022 25600 8461 1 20 . 1 1 66 66 SER CA C 66 56.645 56.645 57.589 -0.944 25600 8462 1 20 . 1 1 66 66 SER CB C 66 63.823 63.823 64.180 -0.357 25600 8463 1 20 . 1 1 66 66 SER H H 66 8.938 8.938 8.719 0.219 25600 8464 1 20 . 1 1 67 67 THR N N 67 113.596 113.596 121.024 -7.428 25600 8465 1 20 . 1 1 67 67 THR HA H 67 4.649 4.649 4.997 -0.348 25600 8466 1 20 . 1 1 67 67 THR CA C 67 59.216 59.216 60.384 -1.168 25600 8467 1 20 . 1 1 67 67 THR CB C 67 69.006 69.006 71.017 -2.011 25600 8468 1 20 . 1 1 67 67 THR H H 67 8.258 8.258 8.608 -0.350 25600 8469 1 20 . 1 1 68 68 LEU N N 68 124.151 124.151 126.297 -2.146 25600 8470 1 20 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.717 -0.361 25600 8471 1 20 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.531 0.581 25600 8472 1 20 . 1 1 68 68 LEU CB C 68 42.915 42.915 41.525 1.390 25600 8473 1 20 . 1 1 68 68 LEU H H 68 8.616 8.616 8.725 -0.109 25600 8474 1 20 . 1 1 69 69 ASN N N 69 115.821 115.821 117.226 -1.405 25600 8475 1 20 . 1 1 69 69 ASN HA H 69 4.644 4.644 5.024 -0.380 25600 8476 1 20 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.599 -0.143 25600 8477 1 20 . 1 1 69 69 ASN CB C 69 42.306 42.306 41.301 1.004 25600 8478 1 20 . 1 1 69 69 ASN H H 69 7.965 7.965 7.629 0.336 25600 8479 1 20 . 1 1 70 70 GLN N N 70 114.564 114.564 117.273 -2.709 25600 8480 1 20 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.726 -0.801 25600 8481 1 20 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.162 0.075 25600 8482 1 20 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.198 0.808 25600 8483 1 20 . 1 1 70 70 GLN H H 70 8.287 8.287 8.717 -0.430 25600 8484 1 20 . 1 1 71 71 GLY N N 71 108.006 108.006 108.693 -0.687 25600 8485 1 20 . 1 1 71 71 GLY CA C 71 43.686 43.686 44.622 -0.936 25600 8486 1 20 . 1 1 71 71 GLY H H 71 8.520 8.520 7.655 0.865 25600 8487 1 20 . 1 1 72 72 ASN N N 72 117.785 117.785 117.644 0.141 25600 8488 1 20 . 1 1 72 72 ASN HA H 72 5.473 5.473 4.945 0.528 25600 8489 1 20 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.270 -0.579 25600 8490 1 20 . 1 1 72 72 ASN CB C 72 39.896 39.896 40.948 -1.052 25600 8491 1 20 . 1 1 72 72 ASN H H 72 8.420 8.420 8.409 0.011 25600 8492 1 20 . 1 1 73 73 VAL N N 73 115.848 115.848 119.206 -3.358 25600 8493 1 20 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.226 0.305 25600 8494 1 20 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.499 -0.524 25600 8495 1 20 . 1 1 73 73 VAL CB C 73 35.179 35.179 34.807 0.372 25600 8496 1 20 . 1 1 73 73 VAL H H 73 8.990 8.990 7.941 1.049 25600 8497 1 20 . 1 1 74 74 LYS N N 74 123.195 123.195 122.613 0.582 25600 8498 1 20 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.617 0.539 25600 8499 1 20 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.911 -1.030 25600 8500 1 20 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.862 -0.265 25600 8501 1 20 . 1 1 74 74 LYS H H 74 8.715 8.715 8.369 0.346 25600 8502 1 20 . 1 1 75 75 VAL N N 75 129.522 129.522 128.330 1.192 25600 8503 1 20 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.899 -0.357 25600 8504 1 20 . 1 1 75 75 VAL CA C 75 60.816 60.816 60.378 0.438 25600 8505 1 20 . 1 1 75 75 VAL CB C 75 32.483 32.483 34.939 -2.456 25600 8506 1 20 . 1 1 75 75 VAL H H 75 8.975 8.975 8.468 0.507 25600 8507 1 20 . 1 1 76 76 THR N N 76 120.548 120.548 124.765 -4.217 25600 8508 1 20 . 1 1 76 76 THR HA H 76 5.066 5.066 4.697 0.369 25600 8509 1 20 . 1 1 76 76 THR CA C 76 59.783 59.783 60.858 -1.075 25600 8510 1 20 . 1 1 76 76 THR CB C 76 70.733 70.733 71.044 -0.311 25600 8511 1 20 . 1 1 76 76 THR H H 76 8.650 8.650 9.046 -0.396 25600 8512 1 20 . 1 1 77 77 ALA N N 77 126.454 126.454 128.037 -1.583 25600 8513 1 20 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.578 -1.198 25600 8514 1 20 . 1 1 77 77 ALA CA C 77 48.430 48.430 49.866 -1.436 25600 8515 1 20 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.639 -2.095 25600 8516 1 20 . 1 1 77 77 ALA H H 77 8.674 8.674 8.345 0.329 25600 8517 1 20 . 1 1 78 78 SER N N 78 113.568 113.568 117.575 -4.007 25600 8518 1 20 . 1 1 78 78 SER HA H 78 5.376 5.376 4.929 0.447 25600 8519 1 20 . 1 1 78 78 SER CA C 78 56.077 56.077 57.043 -0.966 25600 8520 1 20 . 1 1 78 78 SER CB C 78 65.730 65.730 65.949 -0.219 25600 8521 1 20 . 1 1 78 78 SER H H 78 8.117 8.117 8.200 -0.083 25600 8522 1 20 . 1 1 79 79 ILE N N 79 121.071 121.071 126.213 -5.142 25600 8523 1 20 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.482 -0.341 25600 8524 1 20 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.240 0.884 25600 8525 1 20 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.817 -2.008 25600 8526 1 20 . 1 1 79 79 ILE H H 79 8.446 8.446 8.026 0.420 25600 8527 1 20 . 1 1 80 80 GLY N N 80 117.157 117.157 116.239 0.918 25600 8528 1 20 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.780 -0.774 25600 8529 1 20 . 1 1 80 80 GLY H H 80 8.899 8.899 8.876 0.023 25600 8530 1 20 . 1 1 81 81 GLY N N 81 110.716 110.716 111.260 -0.544 25600 8531 1 20 . 1 1 81 81 GLY CA C 81 44.378 44.378 45.229 -0.851 25600 8532 1 20 . 1 1 81 81 GLY H H 81 8.742 8.742 8.110 0.632 25600 8533 1 20 . 1 1 82 82 ILE N N 82 124.112 124.112 121.946 2.166 25600 8534 1 20 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.378 -0.178 25600 8535 1 20 . 1 1 82 82 ILE CA C 82 59.033 59.033 59.713 -0.680 25600 8536 1 20 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.950 -2.173 25600 8537 1 20 . 1 1 82 82 ILE H H 82 8.188 8.188 8.040 0.148 25600 8538 1 20 . 1 1 83 83 GLN N N 83 122.453 122.453 121.318 1.135 25600 8539 1 20 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.562 0.833 25600 8540 1 20 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.380 -1.360 25600 8541 1 20 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.698 -0.183 25600 8542 1 20 . 1 1 83 83 GLN H H 83 8.423 8.423 8.269 0.154 25600 8543 1 20 . 1 1 84 84 GLY N N 84 111.437 111.437 106.922 4.515 25600 8544 1 20 . 1 1 84 84 GLY CA C 84 43.698 43.698 44.241 -0.543 25600 8545 1 20 . 1 1 84 84 GLY H H 84 8.931 8.931 8.959 -0.028 25600 8546 1 20 . 1 1 85 85 SER N N 85 113.877 113.877 114.742 -0.865 25600 8547 1 20 . 1 1 85 85 SER HA H 85 5.841 5.841 4.901 0.940 25600 8548 1 20 . 1 1 85 85 SER CA C 85 56.264 56.264 57.468 -1.204 25600 8549 1 20 . 1 1 85 85 SER CB C 85 66.946 66.946 66.448 0.498 25600 8550 1 20 . 1 1 85 85 SER H H 85 8.710 8.710 8.172 0.538 25600 8551 1 20 . 1 1 86 86 THR N N 86 115.389 115.389 116.932 -1.543 25600 8552 1 20 . 1 1 86 86 THR HA H 86 4.772 4.772 4.606 0.166 25600 8553 1 20 . 1 1 86 86 THR CA C 86 60.313 60.313 61.781 -1.468 25600 8554 1 20 . 1 1 86 86 THR CB C 86 69.953 69.953 71.737 -1.784 25600 8555 1 20 . 1 1 86 86 THR H H 86 8.854 8.854 8.904 -0.050 25600 8556 1 20 . 1 1 87 87 ASP N N 87 124.623 124.623 123.845 0.778 25600 8557 1 20 . 1 1 87 87 ASP HA H 87 5.436 5.436 5.049 0.387 25600 8558 1 20 . 1 1 87 87 ASP CA C 87 53.796 53.796 52.722 1.074 25600 8559 1 20 . 1 1 87 87 ASP CB C 87 42.010 42.010 43.093 -1.083 25600 8560 1 20 . 1 1 87 87 ASP H H 87 7.953 7.953 8.461 -0.508 25600 8561 1 20 . 1 1 88 88 PHE N N 88 123.577 123.577 122.142 1.435 25600 8562 1 20 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.747 -0.816 25600 8563 1 20 . 1 1 88 88 PHE CA C 88 56.968 56.968 55.472 1.496 25600 8564 1 20 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.092 -0.208 25600 8565 1 20 . 1 1 88 88 PHE H H 88 9.094 9.094 7.939 1.155 25600 8566 1 20 . 1 1 89 89 LYS N N 89 126.965 126.965 123.863 3.102 25600 8567 1 20 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.796 0.242 25600 8568 1 20 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.221 -1.332 25600 8569 1 20 . 1 1 89 89 LYS CB C 89 34.669 34.669 36.111 -1.442 25600 8570 1 20 . 1 1 89 89 LYS H H 89 7.269 7.269 8.705 -1.436 25600 8571 1 20 . 1 1 90 90 VAL N N 90 126.148 126.148 129.643 -3.495 25600 8572 1 20 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.355 -0.344 25600 8573 1 20 . 1 1 90 90 VAL CA C 90 59.547 59.547 60.599 -1.052 25600 8574 1 20 . 1 1 90 90 VAL CB C 90 30.948 30.948 33.753 -2.805 25600 8575 1 20 . 1 1 90 90 VAL H H 90 9.086 9.086 8.949 0.137 25600 8576 1 20 . 1 1 91 91 THR N N 91 120.506 120.506 119.570 0.936 25600 8577 1 20 . 1 1 91 91 THR HA H 91 4.568 4.568 4.708 -0.140 25600 8578 1 20 . 1 1 91 91 THR CA C 91 59.348 59.348 59.436 -0.088 25600 8579 1 20 . 1 1 91 91 THR CB C 91 68.970 68.970 71.622 -2.652 25600 8580 1 20 . 1 1 91 91 THR H H 91 8.757 8.757 8.222 0.535 25600 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 88 3.775 0.591 3.750 25600 2 1 1 "Average Difference" HA 94 0.511 0.090 0.506 25600 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25600 4 1 1 "Average Difference" CA 88 1.283 0.773 1.030 25600 5 1 1 "Average Difference" CB 83 1.640 0.873 1.397 25600 6 1 1 "Average Difference" HN 88 0.577 -0.138 0.564 25600 7 1 2 "Average Difference" N 88 3.801 0.519 3.787 25600 8 1 2 "Average Difference" HA 94 0.531 0.098 0.525 25600 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25600 10 1 2 "Average Difference" CA 88 1.357 0.789 1.110 25600 11 1 2 "Average Difference" CB 83 1.653 0.914 1.386 25600 12 1 2 "Average Difference" HN 88 0.519 -0.155 0.498 25600 13 1 3 "Average Difference" N 88 3.785 0.651 3.750 25600 14 1 3 "Average Difference" HA 94 0.502 0.037 0.503 25600 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25600 16 1 3 "Average Difference" CA 88 1.346 0.805 1.085 25600 17 1 3 "Average Difference" CB 83 1.696 0.880 1.459 25600 18 1 3 "Average Difference" HN 88 0.576 -0.152 0.558 25600 19 1 4 "Average Difference" N 88 3.846 0.719 3.800 25600 20 1 4 "Average Difference" HA 94 0.530 0.054 0.530 25600 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25600 22 1 4 "Average Difference" CA 88 1.325 0.827 1.041 25600 23 1 4 "Average Difference" CB 83 1.755 0.859 1.540 25600 24 1 4 "Average Difference" HN 88 0.575 -0.149 0.559 25600 25 1 5 "Average Difference" N 88 3.431 0.503 3.414 25600 26 1 5 "Average Difference" HA 94 0.494 0.077 0.491 25600 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25600 28 1 5 "Average Difference" CA 88 1.319 0.734 1.103 25600 29 1 5 "Average Difference" CB 83 1.647 0.835 1.429 25600 30 1 5 "Average Difference" HN 88 0.572 -0.134 0.560 25600 31 1 6 "Average Difference" N 88 3.691 0.703 3.645 25600 32 1 6 "Average Difference" HA 94 0.494 0.042 0.494 25600 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25600 34 1 6 "Average Difference" CA 88 1.401 0.878 1.098 25600 35 1 6 "Average Difference" CB 83 1.670 0.831 1.458 25600 36 1 6 "Average Difference" HN 88 0.598 -0.162 0.579 25600 37 1 7 "Average Difference" N 88 3.676 0.794 3.610 25600 38 1 7 "Average Difference" HA 94 0.506 0.067 0.504 25600 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25600 40 1 7 "Average Difference" CA 88 1.433 0.734 1.238 25600 41 1 7 "Average Difference" CB 83 1.609 0.853 1.372 25600 42 1 7 "Average Difference" HN 88 0.583 -0.174 0.559 25600 43 1 8 "Average Difference" N 88 3.796 0.883 3.713 25600 44 1 8 "Average Difference" HA 94 0.534 0.069 0.532 25600 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25600 46 1 8 "Average Difference" CA 88 1.333 0.819 1.057 25600 47 1 8 "Average Difference" CB 83 1.647 0.906 1.383 25600 48 1 8 "Average Difference" HN 88 0.564 -0.147 0.548 25600 49 1 9 "Average Difference" N 88 3.671 0.879 3.585 25600 50 1 9 "Average Difference" HA 94 0.531 0.061 0.531 25600 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25600 52 1 9 "Average Difference" CA 88 1.411 0.823 1.153 25600 53 1 9 "Average Difference" CB 83 1.644 0.715 1.490 25600 54 1 9 "Average Difference" HN 88 0.574 -0.180 0.549 25600 55 1 10 "Average Difference" N 88 3.907 0.817 3.842 25600 56 1 10 "Average Difference" HA 94 0.539 0.067 0.538 25600 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25600 58 1 10 "Average Difference" CA 88 1.338 0.790 1.086 25600 59 1 10 "Average Difference" CB 83 1.691 0.846 1.473 25600 60 1 10 "Average Difference" HN 88 0.601 -0.162 0.582 25600 61 1 11 "Average Difference" N 88 3.792 0.490 3.782 25600 62 1 11 "Average Difference" HA 94 0.509 0.088 0.504 25600 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25600 64 1 11 "Average Difference" CA 88 1.331 0.732 1.118 25600 65 1 11 "Average Difference" CB 83 1.618 0.685 1.475 25600 66 1 11 "Average Difference" HN 88 0.582 -0.198 0.551 25600 67 1 12 "Average Difference" N 88 3.756 0.378 3.758 25600 68 1 12 "Average Difference" HA 94 0.510 0.074 0.508 25600 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25600 70 1 12 "Average Difference" CA 88 1.342 0.797 1.086 25600 71 1 12 "Average Difference" CB 83 1.776 0.903 1.538 25600 72 1 12 "Average Difference" HN 88 0.574 -0.167 0.552 25600 73 1 13 "Average Difference" N 88 3.666 0.381 3.667 25600 74 1 13 "Average Difference" HA 94 0.502 0.074 0.499 25600 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25600 76 1 13 "Average Difference" CA 88 1.365 0.685 1.188 25600 77 1 13 "Average Difference" CB 83 1.563 0.872 1.304 25600 78 1 13 "Average Difference" HN 88 0.599 -0.193 0.570 25600 79 1 14 "Average Difference" N 88 3.742 0.770 3.683 25600 80 1 14 "Average Difference" HA 94 0.514 0.101 0.507 25600 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25600 82 1 14 "Average Difference" CA 88 1.295 0.755 1.058 25600 83 1 14 "Average Difference" CB 83 1.694 0.881 1.456 25600 84 1 14 "Average Difference" HN 88 0.546 -0.143 0.530 25600 85 1 15 "Average Difference" N 88 3.732 0.398 3.732 25600 86 1 15 "Average Difference" HA 94 0.532 0.067 0.530 25600 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25600 88 1 15 "Average Difference" CA 88 1.360 0.760 1.135 25600 89 1 15 "Average Difference" CB 83 1.770 0.864 1.554 25600 90 1 15 "Average Difference" HN 88 0.644 -0.178 0.622 25600 91 1 16 "Average Difference" N 88 3.546 0.369 3.547 25600 92 1 16 "Average Difference" HA 94 0.534 0.069 0.533 25600 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25600 94 1 16 "Average Difference" CA 88 1.363 0.875 1.051 25600 95 1 16 "Average Difference" CB 83 1.643 0.851 1.414 25600 96 1 16 "Average Difference" HN 88 0.595 -0.177 0.571 25600 97 1 17 "Average Difference" N 88 4.040 0.888 3.964 25600 98 1 17 "Average Difference" HA 94 0.472 0.034 0.474 25600 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25600 100 1 17 "Average Difference" CA 88 1.414 0.797 1.174 25600 101 1 17 "Average Difference" CB 83 1.614 0.738 1.444 25600 102 1 17 "Average Difference" HN 88 0.537 -0.184 0.507 25600 103 1 18 "Average Difference" N 88 3.885 0.572 3.865 25600 104 1 18 "Average Difference" HA 94 0.518 0.073 0.515 25600 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25600 106 1 18 "Average Difference" CA 88 1.285 0.800 1.011 25600 107 1 18 "Average Difference" CB 83 1.726 0.877 1.496 25600 108 1 18 "Average Difference" HN 88 0.587 -0.172 0.565 25600 109 1 19 "Average Difference" N 88 3.703 0.622 3.671 25600 110 1 19 "Average Difference" HA 94 0.519 0.078 0.516 25600 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25600 112 1 19 "Average Difference" CA 88 1.426 0.796 1.190 25600 113 1 19 "Average Difference" CB 83 1.592 0.766 1.403 25600 114 1 19 "Average Difference" HN 88 0.574 -0.141 0.560 25600 115 1 20 "Average Difference" N 88 4.040 0.792 3.984 25600 116 1 20 "Average Difference" HA 94 0.542 0.086 0.538 25600 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25600 118 1 20 "Average Difference" CA 88 1.465 0.824 1.218 25600 119 1 20 "Average Difference" CB 83 1.694 0.939 1.419 25600 120 1 20 "Average Difference" HN 88 0.604 -0.171 0.583 25600 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 25600 _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 PRO HA H 2 4.277 4.277 4.658 -0.381 25600 2 1 . 1 1 2 2 PRO CA C 2 61.221 61.221 62.857 -1.636 25600 3 1 . 1 1 2 2 PRO CB C 2 31.416 31.416 32.631 -1.215 25600 4 1 . 1 1 3 3 ALA N N 3 123.804 123.804 123.648 0.156 25600 5 1 . 1 1 3 3 ALA HA H 3 4.206 4.206 4.440 -0.234 25600 6 1 . 1 1 3 3 ALA CA C 3 51.395 51.395 51.798 -0.403 25600 7 1 . 1 1 3 3 ALA CB C 3 18.840 18.840 19.966 -1.126 25600 8 1 . 1 1 3 3 ALA H H 3 8.647 8.647 8.210 0.437 25600 9 1 . 1 1 4 4 ALA N N 4 124.059 124.059 124.827 -0.768 25600 10 1 . 1 1 4 4 ALA HA H 4 4.709 4.709 4.727 -0.018 25600 11 1 . 1 1 4 4 ALA CA C 4 50.022 50.022 50.721 -0.699 25600 12 1 . 1 1 4 4 ALA CB C 4 19.897 19.897 20.675 -0.778 25600 13 1 . 1 1 4 4 ALA H H 4 8.239 8.239 8.314 -0.075 25600 14 1 . 1 1 5 5 LEU N N 5 124.019 124.019 121.874 2.145 25600 15 1 . 1 1 5 5 LEU HA H 5 3.372 3.372 3.876 -0.504 25600 16 1 . 1 1 5 5 LEU CA C 5 55.008 55.008 56.003 -0.995 25600 17 1 . 1 1 5 5 LEU CB C 5 41.242 41.242 41.909 -0.667 25600 18 1 . 1 1 5 5 LEU H H 5 8.560 8.560 8.578 -0.018 25600 19 1 . 1 1 6 6 VAL N N 6 123.356 123.356 120.379 2.977 25600 20 1 . 1 1 6 6 VAL HA H 6 4.097 4.097 4.275 -0.178 25600 21 1 . 1 1 6 6 VAL CA C 6 62.340 62.340 62.542 -0.202 25600 22 1 . 1 1 6 6 VAL CB C 6 32.948 32.948 33.815 -0.867 25600 23 1 . 1 1 6 6 VAL H H 6 9.119 9.119 8.108 1.011 25600 24 1 . 1 1 7 7 SER N N 7 112.134 112.134 112.840 -0.706 25600 25 1 . 1 1 7 7 SER HA H 7 4.445 4.445 4.750 -0.305 25600 26 1 . 1 1 7 7 SER CA C 7 56.349 56.349 57.528 -1.179 25600 27 1 . 1 1 7 7 SER CB C 7 64.361 64.361 66.206 -1.845 25600 28 1 . 1 1 7 7 SER H H 7 7.680 7.680 7.659 0.021 25600 29 1 . 1 1 8 8 ILE N N 8 118.674 118.674 116.651 2.024 25600 30 1 . 1 1 8 8 ILE HA H 8 4.673 4.673 4.883 -0.210 25600 31 1 . 1 1 8 8 ILE CA C 8 59.146 59.146 60.061 -0.915 25600 32 1 . 1 1 8 8 ILE CB C 8 41.674 41.674 42.412 -0.738 25600 33 1 . 1 1 8 8 ILE H H 8 8.354 8.354 8.197 0.157 25600 34 1 . 1 1 9 9 SER N N 9 121.318 121.318 120.875 0.443 25600 35 1 . 1 1 9 9 SER HA H 9 4.863 4.863 4.892 -0.029 25600 36 1 . 1 1 9 9 SER CA C 9 55.381 55.381 57.534 -2.153 25600 37 1 . 1 1 9 9 SER CB C 9 64.243 64.243 63.646 0.597 25600 38 1 . 1 1 9 9 SER H H 9 9.028 9.028 8.721 0.307 25600 39 1 . 1 1 10 10 VAL N N 10 127.509 127.509 121.303 6.206 25600 40 1 . 1 1 10 10 VAL HA H 10 5.050 5.050 4.761 0.289 25600 41 1 . 1 1 10 10 VAL CA C 10 60.912 60.912 60.087 0.825 25600 42 1 . 1 1 10 10 VAL CB C 10 33.387 33.387 33.902 -0.515 25600 43 1 . 1 1 10 10 VAL H H 10 8.911 8.911 8.359 0.552 25600 44 1 . 1 1 11 11 SER N N 11 121.861 121.861 122.206 -0.345 25600 45 1 . 1 1 11 11 SER CB C 11 64.373 64.373 63.364 1.009 25600 46 1 . 1 1 11 11 SER H H 11 9.205 9.205 8.516 0.689 25600 47 1 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.526 0.178 25600 48 1 . 1 1 12 12 PRO CA C 12 60.899 60.899 62.689 -1.790 25600 49 1 . 1 1 12 12 PRO CB C 12 34.089 34.089 32.270 1.819 25600 50 1 . 1 1 13 13 THR N N 13 116.138 116.138 116.851 -0.713 25600 51 1 . 1 1 13 13 THR HA H 13 4.770 4.770 4.500 0.270 25600 52 1 . 1 1 13 13 THR CA C 13 60.153 60.153 61.254 -1.101 25600 53 1 . 1 1 13 13 THR CB C 13 69.426 69.426 70.154 -0.728 25600 54 1 . 1 1 13 13 THR H H 13 8.679 8.679 8.407 0.272 25600 55 1 . 1 1 14 14 ASN N N 14 124.457 124.457 124.927 -0.470 25600 56 1 . 1 1 14 14 ASN HA H 14 4.695 4.695 5.121 -0.426 25600 57 1 . 1 1 14 14 ASN CA C 14 53.128 53.128 52.399 0.729 25600 58 1 . 1 1 14 14 ASN CB C 14 36.593 36.593 39.257 -2.664 25600 59 1 . 1 1 14 14 ASN H H 14 8.710 8.710 8.711 -0.001 25600 60 1 . 1 1 15 15 SER N N 15 113.673 113.673 117.734 -4.061 25600 61 1 . 1 1 15 15 SER HA H 15 4.648 4.648 4.673 -0.025 25600 62 1 . 1 1 15 15 SER CA C 15 55.644 55.644 57.440 -1.796 25600 63 1 . 1 1 15 15 SER CB C 15 63.953 63.953 64.953 -1.000 25600 64 1 . 1 1 15 15 SER H H 15 9.127 9.127 7.984 1.143 25600 65 1 . 1 1 16 16 THR N N 16 113.579 113.579 113.721 -0.142 25600 66 1 . 1 1 16 16 THR HA H 16 4.976 4.976 4.951 0.026 25600 67 1 . 1 1 16 16 THR CA C 16 58.445 58.445 60.644 -2.199 25600 68 1 . 1 1 16 16 THR CB C 16 70.534 70.534 70.357 0.177 25600 69 1 . 1 1 16 16 THR H H 16 7.962 7.962 8.214 -0.252 25600 70 1 . 1 1 17 17 VAL N N 17 121.479 121.479 120.712 0.767 25600 71 1 . 1 1 17 17 VAL HA H 17 4.320 4.320 4.474 -0.154 25600 72 1 . 1 1 17 17 VAL CA C 17 59.937 59.937 59.701 0.236 25600 73 1 . 1 1 17 17 VAL CB C 17 35.404 35.404 35.488 -0.084 25600 74 1 . 1 1 17 17 VAL H H 17 7.969 7.969 8.421 -0.452 25600 75 1 . 1 1 18 18 ALA N N 18 126.014 126.014 126.230 -0.216 25600 76 1 . 1 1 18 18 ALA HA H 18 4.175 4.175 4.382 -0.207 25600 77 1 . 1 1 18 18 ALA CA C 18 50.963 50.963 51.746 -0.783 25600 78 1 . 1 1 18 18 ALA CB C 18 18.922 18.922 19.641 -0.719 25600 79 1 . 1 1 18 18 ALA H H 18 7.756 7.756 8.252 -0.496 25600 80 1 . 1 1 19 19 LYS N N 19 119.741 119.741 122.486 -2.745 25600 81 1 . 1 1 19 19 LYS HA H 19 3.487 3.487 3.955 -0.468 25600 82 1 . 1 1 19 19 LYS CA C 19 57.772 57.772 57.434 0.338 25600 83 1 . 1 1 19 19 LYS CB C 19 31.602 31.602 32.671 -1.069 25600 84 1 . 1 1 19 19 LYS H H 19 7.893 7.893 8.225 -0.332 25600 85 1 . 1 1 20 20 GLY N N 20 116.709 116.709 113.830 2.879 25600 86 1 . 1 1 20 20 GLY CA C 20 43.763 43.763 45.181 -1.418 25600 87 1 . 1 1 20 20 GLY H H 20 8.615 8.615 8.640 -0.025 25600 88 1 . 1 1 21 21 LEU N N 21 123.004 123.004 122.566 0.438 25600 89 1 . 1 1 21 21 LEU HA H 21 4.588 4.588 4.688 -0.100 25600 90 1 . 1 1 21 21 LEU CA C 21 53.365 53.365 54.154 -0.789 25600 91 1 . 1 1 21 21 LEU CB C 21 40.962 40.962 46.057 -5.095 25600 92 1 . 1 1 21 21 LEU H H 21 8.013 8.013 7.860 0.153 25600 93 1 . 1 1 22 22 GLN N N 22 117.504 117.504 117.521 -0.017 25600 94 1 . 1 1 22 22 GLN HA H 22 5.128 5.128 5.153 -0.025 25600 95 1 . 1 1 22 22 GLN CA C 22 53.669 53.669 54.193 -0.524 25600 96 1 . 1 1 22 22 GLN CB C 22 30.914 30.914 31.995 -1.081 25600 97 1 . 1 1 22 22 GLN H H 22 8.223 8.223 8.244 -0.021 25600 98 1 . 1 1 23 23 GLU N N 23 118.125 118.125 121.517 -3.392 25600 99 1 . 1 1 23 23 GLU HA H 23 4.563 4.563 4.588 -0.025 25600 100 1 . 1 1 23 23 GLU CA C 23 52.867 52.867 55.047 -2.180 25600 101 1 . 1 1 23 23 GLU CB C 23 32.874 32.874 32.833 0.041 25600 102 1 . 1 1 23 23 GLU H H 23 8.188 8.188 8.507 -0.319 25600 103 1 . 1 1 24 24 ASN N N 24 125.841 125.841 122.707 3.134 25600 104 1 . 1 1 24 24 ASN HA H 24 4.778 4.778 4.962 -0.184 25600 105 1 . 1 1 24 24 ASN CA C 24 52.511 52.511 52.925 -0.414 25600 106 1 . 1 1 24 24 ASN CB C 24 39.746 39.746 39.783 -0.037 25600 107 1 . 1 1 24 24 ASN H H 24 9.391 9.391 8.506 0.885 25600 108 1 . 1 1 25 25 PHE N N 25 122.823 122.823 121.643 1.180 25600 109 1 . 1 1 25 25 PHE HA H 25 4.651 4.651 4.770 -0.119 25600 110 1 . 1 1 25 25 PHE CA C 25 57.123 57.123 56.820 0.303 25600 111 1 . 1 1 25 25 PHE CB C 25 39.059 39.059 41.924 -2.865 25600 112 1 . 1 1 25 25 PHE H H 25 8.062 8.062 8.228 -0.166 25600 113 1 . 1 1 26 26 LYS N N 26 119.114 119.114 121.082 -1.968 25600 114 1 . 1 1 26 26 LYS HA H 26 5.244 5.244 4.609 0.635 25600 115 1 . 1 1 26 26 LYS CA C 26 52.976 52.976 55.546 -2.570 25600 116 1 . 1 1 26 26 LYS CB C 26 34.661 34.661 35.874 -1.213 25600 117 1 . 1 1 26 26 LYS H H 26 9.255 9.255 8.437 0.818 25600 118 1 . 1 1 27 27 ALA N N 27 125.586 125.586 126.742 -1.156 25600 119 1 . 1 1 27 27 ALA HA H 27 5.262 5.262 4.845 0.417 25600 120 1 . 1 1 27 27 ALA CA C 27 48.817 48.817 51.089 -2.272 25600 121 1 . 1 1 27 27 ALA CB C 27 21.160 21.160 21.836 -0.676 25600 122 1 . 1 1 27 27 ALA H H 27 9.120 9.120 8.710 0.410 25600 123 1 . 1 1 28 28 THR N N 28 120.627 120.627 119.744 0.883 25600 124 1 . 1 1 28 28 THR HA H 28 4.837 4.837 4.772 0.065 25600 125 1 . 1 1 28 28 THR CA C 28 60.566 60.566 61.205 -0.639 25600 126 1 . 1 1 28 28 THR CB C 28 69.478 69.478 70.634 -1.155 25600 127 1 . 1 1 28 28 THR H H 28 9.062 9.062 8.274 0.788 25600 128 1 . 1 1 29 29 GLY N N 29 115.788 115.788 113.781 2.007 25600 129 1 . 1 1 29 29 GLY CA C 29 44.316 44.316 43.830 0.486 25600 130 1 . 1 1 29 29 GLY H H 29 9.663 9.663 9.188 0.475 25600 131 1 . 1 1 30 30 ILE N N 30 123.085 123.085 123.792 -0.707 25600 132 1 . 1 1 30 30 ILE HA H 30 4.778 4.778 4.552 0.226 25600 133 1 . 1 1 30 30 ILE CA C 30 59.388 59.388 59.437 -0.049 25600 134 1 . 1 1 30 30 ILE CB C 30 36.883 36.883 40.581 -3.698 25600 135 1 . 1 1 30 30 ILE H H 30 7.914 7.914 8.747 -0.833 25600 136 1 . 1 1 31 31 PHE N N 31 125.209 125.209 123.569 1.640 25600 137 1 . 1 1 31 31 PHE HA H 31 5.370 5.370 5.054 0.316 25600 138 1 . 1 1 31 31 PHE CA C 31 56.487 56.487 56.397 0.089 25600 139 1 . 1 1 31 31 PHE CB C 31 41.153 41.153 42.462 -1.308 25600 140 1 . 1 1 31 31 PHE H H 31 8.316 8.316 8.467 -0.151 25600 141 1 . 1 1 32 32 THR N N 32 113.843 113.843 117.121 -3.278 25600 142 1 . 1 1 32 32 THR HA H 32 4.404 4.404 4.164 0.240 25600 143 1 . 1 1 32 32 THR CA C 32 64.157 64.157 65.322 -1.165 25600 144 1 . 1 1 32 32 THR CB C 32 68.540 68.540 68.797 -0.257 25600 145 1 . 1 1 32 32 THR H H 32 9.335 9.335 8.915 0.420 25600 146 1 . 1 1 33 33 ASP N N 33 118.800 118.800 119.943 -1.143 25600 147 1 . 1 1 33 33 ASP HA H 33 4.621 4.621 4.679 -0.058 25600 148 1 . 1 1 33 33 ASP CA C 33 51.963 51.963 53.607 -1.644 25600 149 1 . 1 1 33 33 ASP CB C 33 38.494 38.494 40.484 -1.990 25600 150 1 . 1 1 33 33 ASP H H 33 7.689 7.689 8.288 -0.599 25600 151 1 . 1 1 34 34 ASN N N 34 112.995 112.995 114.278 -1.283 25600 152 1 . 1 1 34 34 ASN HA H 34 4.348 4.348 4.410 -0.062 25600 153 1 . 1 1 34 34 ASN CA C 34 54.346 54.346 54.474 -0.128 25600 154 1 . 1 1 34 34 ASN CB C 34 36.490 36.490 37.073 -0.583 25600 155 1 . 1 1 34 34 ASN H H 34 8.370 8.370 7.974 0.396 25600 156 1 . 1 1 35 35 SER N N 35 115.545 115.545 115.088 0.457 25600 157 1 . 1 1 35 35 SER HA H 35 4.413 4.413 4.563 -0.150 25600 158 1 . 1 1 35 35 SER CA C 35 57.882 57.882 57.836 0.046 25600 159 1 . 1 1 35 35 SER CB C 35 63.770 63.770 63.759 0.011 25600 160 1 . 1 1 35 35 SER H H 35 7.990 7.990 8.118 -0.128 25600 161 1 . 1 1 36 36 ASN N N 36 116.053 116.053 123.917 -7.864 25600 162 1 . 1 1 36 36 ASN HA H 36 2.890 2.890 5.198 -2.308 25600 163 1 . 1 1 36 36 ASN CA C 36 50.674 50.674 53.027 -2.353 25600 164 1 . 1 1 36 36 ASN CB C 36 41.799 41.799 40.242 1.557 25600 165 1 . 1 1 36 36 ASN H H 36 8.518 8.518 8.461 0.057 25600 166 1 . 1 1 37 37 SER N N 37 113.191 113.191 116.200 -3.009 25600 167 1 . 1 1 37 37 SER HA H 37 4.715 4.715 4.772 -0.057 25600 168 1 . 1 1 37 37 SER CA C 37 56.801 56.801 57.184 -0.383 25600 169 1 . 1 1 37 37 SER CB C 37 64.872 64.872 66.037 -1.165 25600 170 1 . 1 1 37 37 SER H H 37 8.667 8.667 8.723 -0.056 25600 171 1 . 1 1 38 38 ASP N N 38 123.962 123.962 121.367 2.595 25600 172 1 . 1 1 38 38 ASP HA H 38 4.987 4.987 4.828 0.159 25600 173 1 . 1 1 38 38 ASP CA C 38 54.201 54.201 53.582 0.619 25600 174 1 . 1 1 38 38 ASP CB C 38 39.929 39.929 41.522 -1.593 25600 175 1 . 1 1 38 38 ASP H H 38 8.848 8.848 8.529 0.319 25600 176 1 . 1 1 39 39 ILE N N 39 121.216 121.216 122.156 -0.940 25600 177 1 . 1 1 39 39 ILE HA H 39 4.871 4.871 3.772 1.099 25600 178 1 . 1 1 39 39 ILE CA C 39 59.707 59.707 62.203 -2.496 25600 179 1 . 1 1 39 39 ILE CB C 39 37.086 37.086 36.895 0.191 25600 180 1 . 1 1 39 39 ILE H H 39 8.815 8.815 8.533 0.282 25600 181 1 . 1 1 40 40 THR N N 40 122.867 122.867 115.361 7.506 25600 182 1 . 1 1 40 40 THR HA H 40 4.288 4.288 4.120 0.168 25600 183 1 . 1 1 40 40 THR CB C 40 68.527 68.527 68.884 -0.357 25600 184 1 . 1 1 40 40 THR H H 40 8.679 8.679 8.169 0.510 25600 185 1 . 1 1 41 41 ASP N N 41 114.081 114.081 119.191 -5.110 25600 186 1 . 1 1 41 41 ASP HA H 41 3.698 3.698 4.827 -1.129 25600 187 1 . 1 1 41 41 ASP CA C 41 53.478 53.478 54.101 -0.623 25600 188 1 . 1 1 41 41 ASP CB C 41 38.718 38.718 40.750 -2.032 25600 189 1 . 1 1 41 41 ASP H H 41 8.539 8.539 8.449 0.090 25600 190 1 . 1 1 42 42 GLN N N 42 117.087 117.087 116.861 0.226 25600 191 1 . 1 1 42 42 GLN HA H 42 4.151 4.151 4.004 0.147 25600 192 1 . 1 1 42 42 GLN CA C 42 55.536 55.536 56.023 -0.487 25600 193 1 . 1 1 42 42 GLN CB C 42 30.216 30.216 27.210 3.007 25600 194 1 . 1 1 42 42 GLN H H 42 7.718 7.718 7.421 0.297 25600 195 1 . 1 1 43 43 VAL N N 43 109.916 109.916 122.708 -12.792 25600 196 1 . 1 1 43 43 VAL HA H 43 4.089 4.089 4.246 -0.157 25600 197 1 . 1 1 43 43 VAL CA C 43 58.840 58.840 62.140 -3.300 25600 198 1 . 1 1 43 43 VAL CB C 43 31.273 31.273 32.542 -1.269 25600 199 1 . 1 1 43 43 VAL H H 43 6.902 6.902 8.204 -1.302 25600 200 1 . 1 1 44 44 THR N N 44 116.272 116.272 124.900 -8.628 25600 201 1 . 1 1 44 44 THR HA H 44 4.315 4.315 4.398 -0.083 25600 202 1 . 1 1 44 44 THR CA C 44 61.651 61.651 62.065 -0.414 25600 203 1 . 1 1 44 44 THR CB C 44 68.890 68.890 69.043 -0.153 25600 204 1 . 1 1 44 44 THR H H 44 8.787 8.787 8.361 0.426 25600 205 1 . 1 1 45 45 TRP N N 45 132.098 132.098 126.232 5.866 25600 206 1 . 1 1 45 45 TRP HA H 45 5.245 5.245 5.110 0.135 25600 207 1 . 1 1 45 45 TRP CA C 45 55.387 55.387 54.975 0.412 25600 208 1 . 1 1 45 45 TRP CB C 45 30.077 30.077 30.685 -0.608 25600 209 1 . 1 1 45 45 TRP H H 45 10.351 10.351 8.179 2.172 25600 210 1 . 1 1 46 46 ASP N N 46 121.897 121.897 122.557 -0.660 25600 211 1 . 1 1 46 46 ASP HA H 46 4.857 4.857 4.966 -0.109 25600 212 1 . 1 1 46 46 ASP CA C 46 52.797 52.797 53.725 -0.928 25600 213 1 . 1 1 46 46 ASP CB C 46 45.075 45.075 44.835 0.240 25600 214 1 . 1 1 46 46 ASP H H 46 9.471 9.471 8.468 1.003 25600 215 1 . 1 1 47 47 SER N N 47 113.805 113.805 117.760 -3.955 25600 216 1 . 1 1 47 47 SER HA H 47 5.043 5.043 5.201 -0.158 25600 217 1 . 1 1 47 47 SER CA C 47 53.059 53.059 56.803 -3.744 25600 218 1 . 1 1 47 47 SER CB C 47 64.880 64.880 65.399 -0.519 25600 219 1 . 1 1 47 47 SER H H 47 8.502 8.502 8.510 -0.008 25600 220 1 . 1 1 48 48 SER N N 48 119.614 119.614 119.537 0.077 25600 221 1 . 1 1 48 48 SER HA H 48 4.264 4.264 4.289 -0.025 25600 222 1 . 1 1 48 48 SER CA C 48 59.404 59.404 59.886 -0.482 25600 223 1 . 1 1 48 48 SER CB C 48 62.026 62.026 63.526 -1.500 25600 224 1 . 1 1 48 48 SER H H 48 8.517 8.517 8.645 -0.128 25600 225 1 . 1 1 49 49 ASN N N 49 118.260 118.260 116.782 1.478 25600 226 1 . 1 1 49 49 ASN HA H 49 4.898 4.898 4.563 0.335 25600 227 1 . 1 1 49 49 ASN CA C 49 52.841 52.841 54.018 -1.177 25600 228 1 . 1 1 49 49 ASN CB C 49 37.720 37.720 38.711 -0.991 25600 229 1 . 1 1 49 49 ASN H H 49 7.816 7.816 8.028 -0.212 25600 230 1 . 1 1 50 50 THR N N 50 119.288 119.288 115.634 3.654 25600 231 1 . 1 1 50 50 THR HA H 50 4.541 4.541 4.472 0.069 25600 232 1 . 1 1 50 50 THR CA C 50 62.137 62.137 63.202 -1.065 25600 233 1 . 1 1 50 50 THR CB C 50 67.100 67.100 69.745 -2.645 25600 234 1 . 1 1 50 50 THR H H 50 9.049 9.049 8.352 0.697 25600 235 1 . 1 1 51 51 ASP N N 51 118.825 118.825 119.987 -1.162 25600 236 1 . 1 1 51 51 ASP HA H 51 4.586 4.586 4.768 -0.182 25600 237 1 . 1 1 51 51 ASP CA C 51 54.690 54.690 54.764 -0.074 25600 238 1 . 1 1 51 51 ASP CB C 51 39.658 39.658 42.778 -3.120 25600 239 1 . 1 1 51 51 ASP H H 51 8.251 8.251 8.215 0.036 25600 240 1 . 1 1 52 52 ILE N N 52 118.411 118.411 120.404 -1.993 25600 241 1 . 1 1 52 52 ILE HA H 52 3.925 3.925 4.344 -0.419 25600 242 1 . 1 1 52 52 ILE CA C 52 61.681 61.681 61.087 0.594 25600 243 1 . 1 1 52 52 ILE CB C 52 38.896 38.896 39.093 -0.197 25600 244 1 . 1 1 52 52 ILE H H 52 7.169 7.169 7.942 -0.773 25600 245 1 . 1 1 53 53 LEU N N 53 120.126 120.126 124.408 -4.282 25600 246 1 . 1 1 53 53 LEU HA H 53 5.021 5.021 5.174 -0.153 25600 247 1 . 1 1 53 53 LEU CA C 53 53.281 53.281 53.758 -0.477 25600 248 1 . 1 1 53 53 LEU CB C 53 46.405 46.405 45.101 1.304 25600 249 1 . 1 1 53 53 LEU H H 53 7.876 7.876 8.047 -0.171 25600 250 1 . 1 1 54 54 SER N N 54 122.252 122.252 117.350 4.902 25600 251 1 . 1 1 54 54 SER HA H 54 4.959 4.959 4.864 0.095 25600 252 1 . 1 1 54 54 SER CA C 54 54.724 54.724 57.171 -2.447 25600 253 1 . 1 1 54 54 SER CB C 54 64.417 64.417 66.124 -1.707 25600 254 1 . 1 1 54 54 SER H H 54 8.650 8.650 8.680 -0.030 25600 255 1 . 1 1 55 55 ILE N N 55 123.973 123.973 123.904 0.069 25600 256 1 . 1 1 55 55 ILE HA H 55 4.901 4.901 4.442 0.459 25600 257 1 . 1 1 55 55 ILE CA C 55 58.868 58.868 59.876 -1.008 25600 258 1 . 1 1 55 55 ILE CB C 55 41.418 41.418 39.859 1.559 25600 259 1 . 1 1 55 55 ILE H H 55 9.081 9.081 8.470 0.611 25600 260 1 . 1 1 56 56 SER N N 56 119.540 119.540 122.221 -2.681 25600 261 1 . 1 1 56 56 SER HA H 56 4.387 4.387 4.445 -0.058 25600 262 1 . 1 1 56 56 SER CA C 56 56.626 56.626 57.022 -0.396 25600 263 1 . 1 1 56 56 SER CB C 56 63.106 63.106 64.896 -1.790 25600 264 1 . 1 1 56 56 SER H H 56 7.905 7.905 8.347 -0.442 25600 265 1 . 1 1 57 57 ASN N N 57 124.207 124.207 122.739 1.468 25600 266 1 . 1 1 57 57 ASN HA H 57 5.019 5.019 4.949 0.070 25600 267 1 . 1 1 57 57 ASN CA C 57 52.469 52.469 52.557 -0.088 25600 268 1 . 1 1 57 57 ASN CB C 57 40.090 40.090 39.224 0.866 25600 269 1 . 1 1 57 57 ASN H H 57 8.945 8.945 8.511 0.434 25600 270 1 . 1 1 58 58 ALA N N 58 124.301 124.301 124.168 0.133 25600 271 1 . 1 1 58 58 ALA HA H 58 4.133 4.133 4.336 -0.203 25600 272 1 . 1 1 58 58 ALA CA C 58 51.287 51.287 52.321 -1.034 25600 273 1 . 1 1 58 58 ALA CB C 58 18.354 18.354 19.449 -1.095 25600 274 1 . 1 1 58 58 ALA H H 58 8.150 8.150 7.945 0.205 25600 275 1 . 1 1 59 59 SER N N 59 113.299 113.299 115.052 -1.753 25600 276 1 . 1 1 59 59 SER HA H 59 4.698 4.698 4.245 0.453 25600 277 1 . 1 1 59 59 SER CA C 59 60.003 60.003 60.290 -0.287 25600 278 1 . 1 1 59 59 SER CB C 59 62.574 62.574 63.393 -0.819 25600 279 1 . 1 1 59 59 SER H H 59 8.377 8.377 8.513 -0.136 25600 280 1 . 1 1 60 60 ASP N N 60 116.275 116.275 119.944 -3.669 25600 281 1 . 1 1 60 60 ASP HA H 60 4.661 4.661 4.612 0.049 25600 282 1 . 1 1 60 60 ASP CA C 60 52.769 52.769 55.424 -2.655 25600 283 1 . 1 1 60 60 ASP CB C 60 39.712 39.712 41.266 -1.554 25600 284 1 . 1 1 60 60 ASP H H 60 8.311 8.311 8.193 0.118 25600 285 1 . 1 1 61 61 SER N N 61 112.650 112.650 111.579 1.071 25600 286 1 . 1 1 61 61 SER HA H 61 4.630 4.630 4.390 0.240 25600 287 1 . 1 1 61 61 SER CA C 61 56.180 56.180 58.667 -2.488 25600 288 1 . 1 1 61 61 SER CB C 61 61.843 61.843 63.358 -1.515 25600 289 1 . 1 1 61 61 SER H H 61 7.588 7.588 8.044 -0.456 25600 290 1 . 1 1 62 62 HIS N N 62 119.790 119.790 120.974 -1.184 25600 291 1 . 1 1 62 62 HIS HA H 62 4.047 4.047 4.591 -0.544 25600 292 1 . 1 1 62 62 HIS CA C 62 56.919 56.919 56.305 0.614 25600 293 1 . 1 1 62 62 HIS CB C 62 27.524 27.524 30.396 -2.872 25600 294 1 . 1 1 62 62 HIS H H 62 8.029 8.029 7.907 0.122 25600 295 1 . 1 1 63 63 GLY N N 63 113.301 113.301 109.468 3.833 25600 296 1 . 1 1 63 63 GLY CA C 63 43.653 43.653 44.403 -0.750 25600 297 1 . 1 1 63 63 GLY H H 63 8.733 8.733 8.391 0.342 25600 298 1 . 1 1 64 64 LEU N N 64 120.664 120.664 120.100 0.564 25600 299 1 . 1 1 64 64 LEU HA H 64 4.386 4.386 4.969 -0.583 25600 300 1 . 1 1 64 64 LEU CA C 64 54.893 54.893 54.142 0.751 25600 301 1 . 1 1 64 64 LEU CB C 64 41.463 41.463 45.254 -3.791 25600 302 1 . 1 1 64 64 LEU H H 64 7.679 7.679 7.867 -0.188 25600 303 1 . 1 1 65 65 ALA N N 65 108.346 108.346 123.071 -14.725 25600 304 1 . 1 1 65 65 ALA HA H 65 5.402 5.402 4.717 0.685 25600 305 1 . 1 1 65 65 ALA CA C 65 49.267 49.267 50.796 -1.530 25600 306 1 . 1 1 65 65 ALA CB C 65 21.555 21.555 21.046 0.509 25600 307 1 . 1 1 65 65 ALA H H 65 9.874 9.874 8.514 1.360 25600 308 1 . 1 1 66 66 SER N N 66 115.951 115.951 119.612 -3.662 25600 309 1 . 1 1 66 66 SER HA H 66 4.909 4.909 5.304 -0.395 25600 310 1 . 1 1 66 66 SER CA C 66 56.645 56.645 56.758 -0.113 25600 311 1 . 1 1 66 66 SER CB C 66 63.823 63.823 64.910 -1.087 25600 312 1 . 1 1 66 66 SER H H 66 8.938 8.938 8.700 0.238 25600 313 1 . 1 1 67 67 THR N N 67 113.596 113.596 118.957 -5.361 25600 314 1 . 1 1 67 67 THR HA H 67 4.649 4.649 4.848 -0.199 25600 315 1 . 1 1 67 67 THR CA C 67 59.216 59.216 60.848 -1.632 25600 316 1 . 1 1 67 67 THR CB C 67 69.006 69.006 71.070 -2.064 25600 317 1 . 1 1 67 67 THR H H 67 8.258 8.258 8.525 -0.267 25600 318 1 . 1 1 68 68 LEU N N 68 124.151 124.151 123.294 0.857 25600 319 1 . 1 1 68 68 LEU HA H 68 4.356 4.356 4.763 -0.407 25600 320 1 . 1 1 68 68 LEU CA C 68 55.112 55.112 54.507 0.605 25600 321 1 . 1 1 68 68 LEU CB C 68 42.915 42.915 41.765 1.150 25600 322 1 . 1 1 68 68 LEU H H 68 8.616 8.616 8.388 0.228 25600 323 1 . 1 1 69 69 ASN N N 69 115.821 115.821 117.342 -1.521 25600 324 1 . 1 1 69 69 ASN HA H 69 4.644 4.644 4.929 -0.285 25600 325 1 . 1 1 69 69 ASN CA C 69 51.456 51.456 51.975 -0.519 25600 326 1 . 1 1 69 69 ASN CB C 69 42.306 42.306 41.194 1.112 25600 327 1 . 1 1 69 69 ASN H H 69 7.965 7.965 7.709 0.256 25600 328 1 . 1 1 70 70 GLN N N 70 114.564 114.564 117.575 -3.011 25600 329 1 . 1 1 70 70 GLN HA H 70 3.925 3.925 4.701 -0.776 25600 330 1 . 1 1 70 70 GLN CA C 70 55.237 55.237 55.056 0.181 25600 331 1 . 1 1 70 70 GLN CB C 70 29.006 29.006 28.681 0.325 25600 332 1 . 1 1 70 70 GLN H H 70 8.287 8.287 8.600 -0.313 25600 333 1 . 1 1 71 71 GLY N N 71 108.006 108.006 108.862 -0.856 25600 334 1 . 1 1 71 71 GLY CA C 71 43.686 43.686 44.557 -0.871 25600 335 1 . 1 1 71 71 GLY H H 71 8.520 8.520 7.903 0.617 25600 336 1 . 1 1 72 72 ASN N N 72 117.785 117.785 118.500 -0.715 25600 337 1 . 1 1 72 72 ASN HA H 72 5.473 5.473 5.119 0.354 25600 338 1 . 1 1 72 72 ASN CA C 72 51.691 51.691 52.330 -0.639 25600 339 1 . 1 1 72 72 ASN CB C 72 39.896 39.896 40.821 -0.925 25600 340 1 . 1 1 72 72 ASN H H 72 8.420 8.420 8.389 0.031 25600 341 1 . 1 1 73 73 VAL N N 73 115.848 115.848 119.486 -3.638 25600 342 1 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.419 0.112 25600 343 1 . 1 1 73 73 VAL CA C 73 58.975 58.975 59.934 -0.959 25600 344 1 . 1 1 73 73 VAL CB C 73 35.179 35.179 35.306 -0.127 25600 345 1 . 1 1 73 73 VAL H H 73 8.990 8.990 8.878 0.112 25600 346 1 . 1 1 74 74 LYS N N 74 123.195 123.195 124.452 -1.257 25600 347 1 . 1 1 74 74 LYS HA H 74 5.156 5.156 4.693 0.463 25600 348 1 . 1 1 74 74 LYS CA C 74 53.881 53.881 54.680 -0.799 25600 349 1 . 1 1 74 74 LYS CB C 74 33.597 33.597 33.667 -0.070 25600 350 1 . 1 1 74 74 LYS H H 74 8.715 8.715 8.539 0.176 25600 351 1 . 1 1 75 75 VAL N N 75 129.522 129.522 128.220 1.302 25600 352 1 . 1 1 75 75 VAL HA H 75 4.542 4.542 4.788 -0.246 25600 353 1 . 1 1 75 75 VAL CA C 75 60.816 60.816 61.267 -0.451 25600 354 1 . 1 1 75 75 VAL CB C 75 32.483 32.483 33.250 -0.767 25600 355 1 . 1 1 75 75 VAL H H 75 8.975 8.975 8.547 0.428 25600 356 1 . 1 1 76 76 THR N N 76 120.548 120.548 122.833 -2.285 25600 357 1 . 1 1 76 76 THR HA H 76 5.066 5.066 4.745 0.321 25600 358 1 . 1 1 76 76 THR CA C 76 59.783 59.783 60.813 -1.030 25600 359 1 . 1 1 76 76 THR CB C 76 70.733 70.733 71.213 -0.480 25600 360 1 . 1 1 76 76 THR H H 76 8.650 8.650 8.690 -0.040 25600 361 1 . 1 1 77 77 ALA N N 77 126.454 126.454 127.387 -0.933 25600 362 1 . 1 1 77 77 ALA HA H 77 4.380 4.380 5.459 -1.079 25600 363 1 . 1 1 77 77 ALA CA C 77 48.430 48.430 50.306 -1.876 25600 364 1 . 1 1 77 77 ALA CB C 77 20.544 20.544 22.495 -1.951 25600 365 1 . 1 1 77 77 ALA H H 77 8.674 8.674 8.439 0.235 25600 366 1 . 1 1 78 78 SER N N 78 113.568 113.568 116.848 -3.280 25600 367 1 . 1 1 78 78 SER HA H 78 5.376 5.376 4.861 0.515 25600 368 1 . 1 1 78 78 SER CA C 78 56.077 56.077 57.396 -1.319 25600 369 1 . 1 1 78 78 SER CB C 78 65.730 65.730 65.965 -0.235 25600 370 1 . 1 1 78 78 SER H H 78 8.117 8.117 8.235 -0.118 25600 371 1 . 1 1 79 79 ILE N N 79 121.071 121.071 124.478 -3.407 25600 372 1 . 1 1 79 79 ILE HA H 79 4.141 4.141 4.429 -0.288 25600 373 1 . 1 1 79 79 ILE CA C 79 61.124 61.124 60.227 0.897 25600 374 1 . 1 1 79 79 ILE CB C 79 38.809 38.809 40.988 -2.179 25600 375 1 . 1 1 79 79 ILE H H 79 8.446 8.446 7.832 0.614 25600 376 1 . 1 1 80 80 GLY N N 80 117.157 117.157 115.820 1.337 25600 377 1 . 1 1 80 80 GLY CA C 80 46.006 46.006 46.648 -0.642 25600 378 1 . 1 1 80 80 GLY H H 80 8.899 8.899 8.766 0.133 25600 379 1 . 1 1 81 81 GLY N N 81 110.716 110.716 110.711 0.005 25600 380 1 . 1 1 81 81 GLY CA C 81 44.378 44.378 44.975 -0.597 25600 381 1 . 1 1 81 81 GLY H H 81 8.742 8.742 8.134 0.608 25600 382 1 . 1 1 82 82 ILE N N 82 124.112 124.112 121.776 2.336 25600 383 1 . 1 1 82 82 ILE HA H 82 4.200 4.200 4.255 -0.055 25600 384 1 . 1 1 82 82 ILE CA C 82 59.033 59.033 60.152 -1.119 25600 385 1 . 1 1 82 82 ILE CB C 82 36.777 36.777 38.503 -1.726 25600 386 1 . 1 1 82 82 ILE H H 82 8.188 8.188 7.942 0.245 25600 387 1 . 1 1 83 83 GLN N N 83 122.453 122.453 121.464 0.989 25600 388 1 . 1 1 83 83 GLN HA H 83 5.395 5.395 4.641 0.754 25600 389 1 . 1 1 83 83 GLN CA C 83 53.020 53.020 54.266 -1.246 25600 390 1 . 1 1 83 83 GLN CB C 83 32.515 32.515 32.792 -0.277 25600 391 1 . 1 1 83 83 GLN H H 83 8.423 8.423 8.181 0.242 25600 392 1 . 1 1 84 84 GLY N N 84 111.437 111.437 107.890 3.547 25600 393 1 . 1 1 84 84 GLY CA C 84 43.698 43.698 44.095 -0.397 25600 394 1 . 1 1 84 84 GLY H H 84 8.931 8.931 8.679 0.252 25600 395 1 . 1 1 85 85 SER N N 85 113.877 113.877 115.030 -1.153 25600 396 1 . 1 1 85 85 SER HA H 85 5.841 5.841 5.005 0.835 25600 397 1 . 1 1 85 85 SER CA C 85 56.264 56.264 57.164 -0.900 25600 398 1 . 1 1 85 85 SER CB C 85 66.946 66.946 66.218 0.728 25600 399 1 . 1 1 85 85 SER H H 85 8.710 8.710 8.287 0.423 25600 400 1 . 1 1 86 86 THR N N 86 115.389 115.389 115.707 -0.318 25600 401 1 . 1 1 86 86 THR HA H 86 4.772 4.772 4.694 0.078 25600 402 1 . 1 1 86 86 THR CA C 86 60.313 60.313 61.543 -1.230 25600 403 1 . 1 1 86 86 THR CB C 86 69.953 69.953 71.736 -1.783 25600 404 1 . 1 1 86 86 THR H H 86 8.854 8.854 8.813 0.041 25600 405 1 . 1 1 87 87 ASP N N 87 124.623 124.623 123.360 1.263 25600 406 1 . 1 1 87 87 ASP HA H 87 5.436 5.436 4.948 0.488 25600 407 1 . 1 1 87 87 ASP CA C 87 53.796 53.796 53.228 0.568 25600 408 1 . 1 1 87 87 ASP CB C 87 42.010 42.010 43.098 -1.088 25600 409 1 . 1 1 87 87 ASP H H 87 7.953 7.953 8.516 -0.563 25600 410 1 . 1 1 88 88 PHE N N 88 123.577 123.577 124.099 -0.522 25600 411 1 . 1 1 88 88 PHE HA H 88 4.931 4.931 5.385 -0.454 25600 412 1 . 1 1 88 88 PHE CA C 88 56.968 56.968 56.160 0.808 25600 413 1 . 1 1 88 88 PHE CB C 88 42.884 42.884 43.309 -0.425 25600 414 1 . 1 1 88 88 PHE H H 88 9.094 9.094 8.618 0.476 25600 415 1 . 1 1 89 89 LYS N N 89 126.965 126.965 125.580 1.385 25600 416 1 . 1 1 89 89 LYS HA H 89 5.038 5.038 4.817 0.221 25600 417 1 . 1 1 89 89 LYS CA C 89 53.889 53.889 55.156 -1.267 25600 418 1 . 1 1 89 89 LYS CB C 89 34.669 34.669 35.289 -0.621 25600 419 1 . 1 1 89 89 LYS H H 89 7.269 7.269 8.304 -1.035 25600 420 1 . 1 1 90 90 VAL N N 90 126.148 126.148 127.630 -1.482 25600 421 1 . 1 1 90 90 VAL HA H 90 5.011 5.011 5.303 -0.292 25600 422 1 . 1 1 90 90 VAL CA C 90 59.547 59.547 59.855 -0.308 25600 423 1 . 1 1 90 90 VAL CB C 90 30.948 30.948 33.404 -2.456 25600 424 1 . 1 1 90 90 VAL H H 90 9.086 9.086 8.671 0.415 25600 425 1 . 1 1 91 91 THR N N 91 120.506 120.506 119.353 1.153 25600 426 1 . 1 1 91 91 THR HA H 91 4.568 4.568 4.720 -0.152 25600 427 1 . 1 1 91 91 THR CA C 91 59.348 59.348 59.700 -0.351 25600 428 1 . 1 1 91 91 THR CB C 91 68.970 68.970 71.736 -2.766 25600 429 1 . 1 1 91 91 THR H H 91 8.757 8.757 8.034 0.723 25600 stop_ save_